Mercurial > repos > fgiacomoni > bankinhouse4peakforest
changeset 0:9143f238b342 draft
Init repository for [bankinhouse4peakforest]
| author | fgiacomoni |
|---|---|
| date | Tue, 19 Mar 2019 04:18:33 -0400 |
| parents | |
| children | 807b315e0c3b |
| files | README.txt bih4pforest.pl bih4pforest.xml conf_bih4pforest.cfg lib/bih4pforest.pm lib/conf.pm lib/csv.pm lib/json.pm out.tmpl test-data/in_test01.tabular test-data/in_test01bis.tabular test-data/in_test02.tabular test-data/in_test02.tabular copy test-data/outFull_test01.tabular test-data/outFull_test01bis.tabular test-data/outFull_test02.tabular test-data/outHtml_test01.html test-data/outHtml_test01bis.html test-data/outXls_test01.tabular test-data/outXls_test01bis.tabular test-data/out_test01.tabular |
| diffstat | 21 files changed, 4814 insertions(+), 0 deletions(-) [+] |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/README.txt Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,62 @@ +## ****** match_mass environnemnt : ****** ## +# version December 2018 FGiacomoni + +## --- PERL compilator / libraries : --- ## +$ perl -v +This is perl, v5.10.1 (*) built for x86_64-linux-thread-multi +-- + +# libs CORE PERL : +use strict ; +use warnings ; +use Carp qw (cluck croak carp) ; +use Data::Dumper ; +use Getopt::Long ; +use POSIX ; +use List::Util qw( min max ); +use FindBin ; + +# libs CPAN PERL : +use Math::BigFloat; +use LWP::Simple; +use LWP::UserAgent; +use URI::URL; +use SOAP::Lite; +use Encode; +use HTML::Template ; +use Net::SSL ; +use Data::Dumper ; +use REST::Client; +use JSON; + +# libs pfem PERL : libs are now integrated +use lib::conf qw( :ALL ) ; +use lib::csv qw( :ALL ) ; +use lib::json qw( :ALL ) ; + +## --- R bin and Packages : --- ## +N/A + +## --- Binary dependencies --- ## +N/A +-- + +## --- Config : --- ## +Edit the following lines in the config file : conf_bih4pforest.cfg +with your personal token used to manage and allow Pforest access / the WS PeakForest url + + +-- + +## --- XML HELP PART --- ## +one image : +bih4pforest.png +-- + +## --- DATASETS --- ## +No data set ! waiting for galaxy pages +-- + +## --- ??? COMMENTS ??? --- ## +Please ask for a PeakForest account on the targetted instance on http://peakforest.org +-- \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/bih4pforest.pl Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,451 @@ +#!perl + +## script : bih4pforest.pl +#============================================================================= +# Included modules and versions +#============================================================================= +## Perl modules +use strict ; +use warnings ; +use Carp qw (cluck croak carp) ; + +use Data::Dumper ; +use Getopt::Long ; +use POSIX ; +use List::Util qw( min max ); +use FindBin ; ## Allows you to locate the directory of original perl script + +## Specific Modules +use lib $FindBin::Bin ; +my $binPath = $FindBin::Bin ; +use lib::bih4pforest qw( :ALL ) ; + +## PFEM Perl Modules +use lib::conf qw( :ALL ) ; +use lib::csv qw( :ALL ) ; + +## Initialized values +my ( $help ) = ( undef ) ; +my ( $masses_input_file ) = ( undef ) ; +my ( $nbline_header, $col_rt, $rt_delta, $col_mass, $mz_delta_type, $mz_delta ) = ( undef, undef, undef, undef, undef, undef ) ; +my ( $peakforestdb, $mode, $tissues, $technics) = ( undef, undef, undef, undef, undef ) ; +my ( $out_tab, $out_html, $out_xls, $out_json, $out_full ) = ( undef, undef, undef, undef, undef ) ; +my ( $TOKEN ) = ( undef ) ; +my ( $searchParameters ) = ( undef ) ; + +my ( $VERBOSE ) = ( 3 ) ; ## verbose level is 3 for debugg + +#============================================================================= +# Manage EXCEPTIONS +#============================================================================= + +&GetOptions ( "h" => \$help, # HELP + + "peakforestdb:s" => \$peakforestdb, ## peakforest instance choice + "token:s" => \$TOKEN, ## peakforest user token + # input file getter + "input:s" => \$masses_input_file, ## option : path to the input + "nbheader:i" => \$nbline_header, ## numbre of header line present in file + "colrt:i" => \$col_rt, ## Column retention time for retrieve formula/masses list in tabular file + "rt_delta:f" => \$rt_delta, ## Delta for retention time + "colmass:i" => \$col_mass, ## Column id for retrieve formula list in tabular file + "mz_delta_type:s" => \$mz_delta_type, ## Delta type for masses (Da is default) + "mass_delta:f" => \$mz_delta, ## Delta for masses + # + "mode:s" => \$mode, ## Molecular species (positive/negative/neutral) + "tissues:s" => \$tissues, ## Restricted to certain characterization and localization (blood/plasma/urine/peptide) + "technics:s" => \$technics, ## TO DEV !!! + # + "outputXls:s" => \$out_xls, ## option : path to the ouput (tabular : results ) + "outputTab:s" => \$out_tab, ## path to the ouput (tabular : input+results (1 col) ) + "outputHtml:s" => \$out_html, ## option : path to the results view (output2) + "outputFull:s" => \$out_full, ## path to the ouput (tabular : input+results (x col) ) + # + "verbose:i" => \$VERBOSE, ## VERBOSE Of the tool + ) ; + +#============================================================================= +# EXCEPTIONS +#============================================================================= +## if you put the option -help or -h function help is started +if ( defined $help ) { &help() ; } + +#============================================================================= +# MAIN SCRIPT +#============================================================================= + +if ($VERBOSE == 3) { + print "The bih4pforest program is launched as:\n"; + print "./bih4pforest.pl " ; + print "--h " if (defined $help) ; + print "--peakforestdb $peakforestdb " if (defined $peakforestdb) ; + print "--input $masses_input_file " if (defined $masses_input_file) ; + print "--nbheader $nbline_header " if (defined $nbline_header) ; + print "--colrt $col_rt " if (defined $col_rt) ; + print "--rt_delta $rt_delta " if (defined $rt_delta) ; + print "--colmass $col_mass " if (defined $col_mass) ; + print "--mz_delta $mz_delta_type " if (defined $mz_delta_type) ; + print "--mass_delta $mz_delta " if (defined $mz_delta) ; + print "--mode $mode " if (defined $mode) ; + print "--tissues $tissues " if (defined $tissues) ; + print "--outputJson $out_json " if (defined $out_json) ; + print "--outputXls $out_xls " if (defined $out_xls) ; + print "--outputTab $out_tab " if (defined $out_tab) ; + print "--outputHtml $out_html " if (defined $out_html) ; + print "--outputFull $out_full " if (defined $out_full) ; + print "with verbose $VERBOSE" ; + print "\n" ; +} + +# Init and save search parameters : +if ( ( defined $mz_delta ) and ( $mz_delta > 0 ) and (defined $peakforestdb) and (defined $mz_delta_type) and (defined $mode) ) { + $searchParameters = "Searching parameters : Molecular specie = $mode / delta = $mz_delta ($mz_delta_type) / PeakForest Instance = $peakforestdb \n" ; +} + + + +## -------------- Conf file ------------------------ : +my ( $CONF) = ( undef ) ; +foreach my $conf ( <$binPath/*.cfg> ) { + my $oConf = lib::conf::new() ; + $CONF = $oConf->as_conf($conf) ; +} +## -------------- HTML file template ------------------------ : +foreach my $html_template ( <$binPath/*.tmpl> ) { $CONF->{'HTML_TEMPLATE'} = $html_template ; } + +## --------------- Global parameters ---------------- : +my ( $masses, $rts, $results, $header_choice ) = ( undef, undef, undef, undef, undef ) ; ############## +my ( $complete_rows, $nb_pages_for_html_out ) = ( undef, 1 ) ; +my ( $bank_name_for_outputs ) = (undef) ; + +my $oBih = lib::bih4pforest->new() ; + +## --------------- retrieve input data -------------- : + +## manage csv file containing list of masses +if ( ( defined $masses_input_file ) and ( $masses_input_file ne "" ) and ( -e $masses_input_file ) ) { + ## parse all csv for later : output csv build + my $ocsv_input = lib::csv->new() ; + my $complete_csv = $ocsv_input->get_csv_object( "\t" ) ; + $complete_rows = $ocsv_input->parse_csv_object($complete_csv, \$masses_input_file) ; + + ## parse csv ids and masses + my $ocsv = lib::csv->new() ; + my $csv = $ocsv->get_csv_object( "\t" ) ; + + if ( ( defined $nbline_header ) and ( $nbline_header > 0 ) ) { $header_choice = 'yes' ; } + else{ $header_choice = 'no' ; } + + ## retrieve mz values on csv + $masses = $ocsv->get_value_from_csv_multi_header( $csv, $masses_input_file, $col_mass, $header_choice, $nbline_header ) ; + + ## retrieve rt values on csv + if ( ( defined $col_rt ) and ( $col_rt ne "" ) ) { + $rts = $ocsv->get_value_from_csv_multi_header( $csv, $masses_input_file, $col_rt, $header_choice, $nbline_header ) ; ## retrieve rt values on csv + } +} + +# --------------- get data bank input from PeakForest server-------------- : + +my ($complete_bank, $bank_head) = (undef, undef) ; + +if ( ( defined $peakforestdb ) and ( $peakforestdb ne "" ) ) { + $bank_name_for_outputs = "$peakforestdb"; + + ## Detection of the token + if ( ( $CONF->{PF_GLOBAL_TOKEN} ne "" ) ) { ## service token from conf file + $TOKEN = $CONF->{PF_GLOBAL_TOKEN} ; + } + elsif ( ( defined $TOKEN ) and ( $TOKEN ne "" ) ) { ## token set by user in the session + ## init + my $opfws = lib::bih4pforest->new() ; + ## get min and max values of user query + my ($min, $max) = (0, 0) ; + + if ( ( defined $masses ) and ( scalar (@{$masses}) > 0 ) ) { + $min = min @{$masses} ; + $max = max @{$masses} ; + + my ( $min_delta, undef ) = $opfws->mz_delta_conversion(\$min, \$mz_delta_type, \$mz_delta) ; + my ( undef, $max_delta ) = $opfws->mz_delta_conversion(\$max, \$mz_delta_type, \$mz_delta) ; + + ## get clean range database json from PForest WS : + my $pf_json = $opfws->db_pforest_get_clean_range($TOKEN, $CONF->{PF_WS_URL}, $CONF->{PF_REST_QUERY_CLEAN_RANGE}, $$min_delta, $$max_delta, $mode) ; + + if (defined $pf_json) { + ($complete_bank, $bank_head) = $opfws->map_pfjson_bankobject($pf_json) ; +# print Dumper $complete_bank ; + } + } ## End IF + else { + croak "Fatal error : your mass list extracted from your file is empty\n" ; + } + } ## END ELSIF + else { croak "Can't work more : missing your PForest TOKEN identifier\n" ; } + +} ## End ELSIF PForest + + +### ---------------- launch queries -------------------- : + +if ( ( defined $mz_delta ) and ( $mz_delta >= 0 ) and ( defined $masses ) and ( defined $complete_bank ) ) { + ## prepare masses list and execute query + $results = [] ; + if ($mz_delta != 0){ + my @sort_masses_bank = sort { $a <=> $b } keys(%$complete_bank); + +# print Dumper @sort_masses_bank ; + + my $compt_masses = 0; + foreach my $mz (@$masses) { + $compt_masses++; + my ($MZmessage) = $oBih->check_interval($mz, $CONF->{'BANK_MZ_MIN'}, $CONF->{'BANK_MZ_MAX'}) ; + if ( $MZmessage eq 'OK' ){ + my ( $min, $max ) = $oBih->mz_delta_conversion(\$mz, \$mz_delta_type, \$mz_delta) ; + + my ($marj_inf) = $oBih->dichotomi_search(\@sort_masses_bank, $min) ; + my ($marj_sup) = $oBih->dichotomi_search(\@sort_masses_bank, $max) ; + + my $result = []; + + if($$marj_inf != $$marj_sup){ + + if ($$marj_inf == -1){ $$marj_inf=0; } + + for (my $i=$$marj_inf; $i<$$marj_sup; $i++){ + + my $bank_tmp = $$complete_bank{$sort_masses_bank[$i]}; + ## compile result + push (@$result, @$bank_tmp) ; + } + } + else{ $result = []; } + push (@$results, [@$result]) ; + } + else { croak "The $compt_masses th value : $MZmessage\n" ; } + +# print Dumper $results if ($VERBOSE>2) ; + } ## End FOREACH MZ queried + } ## End IF +} +else { + croak "Can't work : missing paramaters (list of ids, masses, delta, ionization, characterization or inhouse_bank)\n" ; +} ## end ELSE + + +### -------------- Get extra informations from results with PeakForest API ------------------ : + +my $completedResults = undef ; +my $oWs = lib::bih4pforest->new() ; + +foreach my $matchedMzResult (@$results) { + + my $completedMatchedMzResult = undef ; + + foreach my $match (@$matchedMzResult) { + + # main match structure is: [ 352 (as Cpd_ID), '122.024753' (as FRAG MZ), '[(M-H)-(CO2)]-' (as ATTIBUTION), 901 (as SPECTRA_ID) ] + my $completedMatch = undef ; + + push ( @$completedMatch, $match->[1] ) ; # 1 is the position of '122.024753' (FRAG MZ) in match + push ( @$completedMatch, $match->[2] ) ; # 2 is the position of '[(M-H)-(CO2)]-' (as ATTRIBUTION) in match + + if ( ($match->[0]) and ($match->[0] > 0) ) { # 0 is position of Spectrum_id in match + # get metabolite information : + my $cpd = $oWs->db_pforest_get_compound($TOKEN, $CONF->{PF_WS_URL}, $CONF->{PF_REST_QUERY_COMPOUNDS}, $match->[0] ) ; + my ($CpdFeatures, $CpdHeaders) = $oWs->mapJson2CompoundObject($cpd) ; + # apply attribution filter : + # TODO... if /else + push ( @$completedMatch, $match->[0], $CONF->{'PF_PORTAL_CPD_URL'}.$match->[0], @{$CpdFeatures} ) ; + push ( @$completedMatch, $CONF->{'CHEBI_CPD_URL'}.$CpdFeatures->[-2] ) ; # -2 is least value and is position CHEBI-ID + push ( @$completedMatch, $CONF->{'HMDB_CPD_URL'}.$CpdFeatures->[-1] ) ; # -1 is last value and is position HMDB-ID + } + + if ( ($match->[3]) and ($match->[3] > 0) ) { # 3 is position of Spectrum_id in match + # get spectra metadata : + my $sp = $oWs->db_pforest_get_spectra($TOKEN, $CONF->{PF_WS_URL}, $CONF->{PF_REST_QUERY_SPECTRA}, $match->[3]) ; + my ($spFeatures, $spHeaders) =$oWs->mapJson2SpectrumObject($sp) ; + + # apply technical filter : + # TODO...if /else + push ( @$completedMatch, $match->[3], $CONF->{'PF_PORTAL_SP_URL'}.$match->[3], @{$spFeatures} ) ; + + } + ## push each completed results (cpd and spectrum) for a mz matched + push (@$completedMatchedMzResult, $completedMatch) ; + }## END FOREACH $match + + ## push each mz matched and its results (cpd and spectrum) + push (@$completedResults, $completedMatchedMzResult) ; +} ## END FOREACH $matchedMzResult + +print Dumper $completedResults if ($VERBOSE>2) ; + + +### * * * * * * * * * * * * -------------- Produce HTML output ------------------ * * * * * * * * * * * * + +if ( ( defined $out_html ) and ( defined $completedResults ) ) { + ## Uses N mz and theirs entries per page (see config file). + # how many pages you need with your input mz list? + $nb_pages_for_html_out = ceil( scalar(@{$masses} ) / $CONF->{HTML_ENTRIES_PER_PAGE} ) ; + + my $oHtml = lib::bih4pforest->new() ; + my ($tbody_object) = $oHtml->set_html_tbody_object( $nb_pages_for_html_out, $CONF->{HTML_ENTRIES_PER_PAGE} ) ; + + ($tbody_object) = $oHtml->add_mz_to_tbody_object($tbody_object, $CONF->{HTML_ENTRIES_PER_PAGE}, $masses) ; + + ($tbody_object) = $oHtml->add_entries_to_tbody_object($tbody_object, $CONF->{HTML_ENTRIES_PER_PAGE}, $masses, $completedResults) ; + + my $output_html = $oHtml->write_html_skel(\$out_html, $tbody_object, $nb_pages_for_html_out, $searchParameters, $CONF->{'HTML_TEMPLATE'}, $CONF->{'JS_GALAXY_PATH'}, $CONF->{'CSS_GALAXY_PATH'} ) ; + +} ## END IF +else { croak "Can't create a HTML output for BiH4PeakForest : no result found or your output file is not defined\n" ; } + +### * * * * * * * * * * * * -------------- Produce XLS like output ------------------ * * * * * * * * * * * * +if ( ( defined $out_xls ) and ( defined $completedResults ) ) { + my $oxls = lib::bih4pforest->new() ; + $oxls->write_excel_like_mass($masses, $completedResults, $out_xls, ['FragMz', 'DeltaInMmu', 'Attribution', 'CpdID', 'CpdName', 'CpdMonoMass', 'CpdFormula', 'CpdInChIKey', 'SpectrumID', 'SpName', 'SpType', 'SpRes', 'SpQuality', 'SpSplash']) ; +} ## END IF +else { croak "Can't create a tabular output for BiH4PForest (like xls): no result found or your output file is not defined\n" ; } + + +### -------------- Produce CSV output ------------------ : +#if (defined $results) { +# if ( defined $masses_file ) { # produce a csv based on METLIN format +# if ( defined $out_tab ) { +# my $sep = "#"; +# my $ocsv = lib::bih::new() ; +# my $lm_matrix = undef ; +# if ( ( $header_choice eq 'yes' ) and ( defined $nbline_header ) and ( $nbline_header > 0 )) { +# my $header = join("$sep", @$bank_head); +# my $out_head = "BiH_".$bank_name."_(".$header.")"; +# $lm_matrix = $ocsv->set_bih_matrix_object($out_head, $masses, $col_mzdb, $results, $rt, $rtdb, $bank_head, $sep ) ; +# $lm_matrix = $ocsv->add_bih_matrix_to_input_matrix($complete_rows, $lm_matrix, $nbline_header-1) ; +# } +# elsif ( ( $header_choice eq 'no' ) or ( $nbline_header <= 0 )) { +# $lm_matrix = $ocsv->set_bih_matrix_object(undef, $masses, $col_mzdb, $results, $rt, $rtdb, $bank_head, $sep ) ; +# $lm_matrix = $ocsv->add_bih_matrix_to_input_matrix($complete_rows, $lm_matrix, 0) ; +# } +# else { croak "The number of header line is not identifiable\n" ; } +# $ocsv->write_csv_skel(\$out_tab, $lm_matrix) ; +# } +# else { croak "Can't create a tabular output for BiH : your output file is not defined\n" ; } +# } +# elsif (defined $mass) { } ## no csv output for manual masses +# else { croak "the input format is not identifiable or your output file is not defined\n" ; } +#} ## END IF +#else { croak "Can't create a tabular output for BiH : no result found\n" ; } + + +### * * * * * * * * * * * * -------------- Produce Full output ------------------ * * * * * * * * * * * * +## +if (defined $completedResults) { + if ( defined $masses_input_file ) { + if ( defined $out_full ) { + my $sep = "\t"; + my $ofull = lib::bih4pforest->new() ; + if ( ( $header_choice eq 'yes' ) and ( defined $nbline_header ) and ( $nbline_header > 0 )) { + $ofull->write_full_excel_like( $complete_rows, $sep, $masses, $completedResults, $out_full, $nbline_header, ['FragMz', 'DeltaInMmu', 'Attribution', 'CpdID', 'CpdName', 'CpdMonoMass', 'CpdFormula', 'CpdInChIKey', 'SpectrumID', 'SpName', 'SpType', 'SpRes', 'SpQuality', 'SpSplash'], $bank_name_for_outputs) ; + } + elsif ( ( $header_choice eq 'no' ) or ( $nbline_header <= 0 )) { + $ofull->write_full_excel_like( $complete_rows, $sep, $masses, $completedResults, $out_full, 0, undef, undef) ; + } + else { croak "The number of header line is not identifiable\n" ; } + } + } + else { croak "the input format is not identifiable or your output file is not defined\n" ; } +} ## END IF +else { croak "Can't create a full output for BiH : no result found\n" ; } + + +#==================================================================================== +# Help subroutine called with -h option +# number of arguments : 0 +# Argument(s) : +# Return : 1 +#==================================================================================== +sub help { + print STDERR " +bank_inhouse + +# bank_inhouse is a script to query a in house bank (file) using chemical mass and return a list of common names. +# Input : mass or list of masses +# Author : Marion LANDI and Franck Giacomoni (for the Rest part) +# Email : franck.giacomoni\@clermont.inra.fr +# Version : 1.1 +# Created : 15/10/2014 +# Updated : 15/12/2015 +USAGE : + bank_inhouse.pl -masse [mass] + -tolerance [Delta of mass (Da)] -mode [Ionization type: positive/negative/neutral] + -tissues [Restricted to certain tissues] -- optionnal + -bank_in [file for in personal house bank] -- optionnal + -outputTab [output file tabular format] -outputView [output file html format] + -verbose + OR + bank_inhouse.pl -input [path to list of masses file] + -nbHeader [nb of lines of headers : 0-n] -colId [Ids colunm number in input file] -colmass [masses col] -colrt [RT col] + -tolerance [Delta of mass (Da)] -mode [molecular type: positive/negative/neutral] + -bank_in [file for in house bank] + -tissues [Restricted to certain tissues] + -outputTab [output file tabular format] -outputView [output file html format] + + OR + bank_inhouse.pl -masse [mass] + -rest [get the PeakForest ref db : yes|no] + -mz_delta [Delta type for mass (Da or PPM)] -mass_delta [Delta for mass (Da or PPM)] -mode [molecular type: positive/negative/neutral] + -outputXls [output xls format] + + Others output formats: + -outputJson [output json format] -outputFull [output format is input+res] + "; + exit(1); +} + +## END of script - M Landi + +__END__ + +=head1 NAME + + bank_inhouse.pl -- script for + +=head1 USAGE + + bank_inhouse.pl -precursors -arg1 [-arg2] + or bank_inhouse.pl -help + +=head1 SYNOPSIS + +This script manage ... + +=head1 DESCRIPTION + +This main program is a ... + +=over 4 + +=item B<function01> + +=item B<function02> + +=back + +=head1 AUTHOR + +Marion LANDI E<lt>marion.landi@clermont.inra.frE<gt> +Frank Giacomoni E<lt>franck.giacomoni@inra.frE<gt> + +=head1 LICENSE + +This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself. + +=head1 VERSION + +version 1 : 15 / 10 / 2014 + +version 2 : 21 / 11 / 2014 + +version 3 : 13 / 11 / 2018 + +=cut
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/bih4pforest.xml Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,274 @@ +<tool id="bih4pforest" name="bank-in-house for PeakForest" version="0.1.9"> + <description> + : search by accurate mass (and by Retention time) on a PeakForest bank + </description> + + <requirements> + <requirement type="package" version="2.90">perl-json</requirement> + <requirement type="package" version="1.97">perl-text-csv</requirement> + <requirement type="package" version="6.15">perl-lwp-simple</requirement> + <requirement type="package" version="1.74">perl-uri</requirement> + <requirement type="package" version="1.19">perl-soap-lite</requirement> + <requirement type="package" version="2.97">perl-html-template</requirement> + <requirement type="package" version="0.428">perl-list-moreutils</requirement> + <requirement type="package" version="6.15">perl-libwww-perl</requirement> + <requirement type="package" version="1.999816">perl-math-bigint</requirement> + + </requirements> + <stdio> + <exit_code range="1" level="fatal" /> + </stdio> + + <command><![CDATA[ + perl $__tool_directory__/bih4pforest.pl + + -peakforestdb $peakforestdb + -token $token + + -input $variableMetadata_in + + #if str($header.header_choice) == "YES": + -nbheader "${header.nbheader}" + #end if + + -colmass $colmass + -mz_delta_type "${managing_mz_delta_type.mz_delta_type}" + -mass_delta "${managing_mz_delta_type.mass_delta}" + + #if str($use_input_with_rt.input_as_rt) == "YES": + -colrt "${input_as_rt.colrt}" + -rt_delta "${input_as_rt.rt_delta}" + #end if + + -mode $mode + + #if str($use_bank_features.as_advanced) == "YES": + -tissues $tissues + -technics $technics + #end if + + -outputXls $bankInhouseResXls_filein + -outputFull $variableMetadata_out + -outputHtml $bankInhouseResHtml_filein + + -verbose $verbose + + ]]></command> + + <inputs> + + <param name="peakforestdb" label="PeakForest server url" type="text" size="40" value="metabohub.peakforest.org" help="Set the used peakForest server (e.g. metabohub.pf.org)"/> + <param name="token" label="PeakForest user token" type="text" size="30" value="9131jq9l8gsjn1j14t351h716u" help="Indicate your own token provided by the used PeakForest server"/> + + <param name="variableMetadata_in" type="data" label="Input file containing a list of mzs (format: tabular)" help="Generally variable metadata file" format="tabular" /> + + <conditional name="header"> + <param name="header_choice" type="boolean" checked="true" truevalue="YES" falsevalue="NO" label="Do you have a header?" help="if 'YES' is selected then enter your number of header lines" /> + <when value="YES"> + <param name="nbheader" type="integer" label="Number of header lines" value="1" min="1" max="10" help="number of lines not containing masses"/> + </when> + <when value="NO"/> + </conditional> + + <param name="colmass" label="Column of masses (MZ)" type="data_column" data_ref="variableMetadata_in" accept_default="true" /> + + <conditional name="managing_mz_delta_type"> + <param name="mz_delta_type" label="m/z delta type" type="select" display="radio" help=""> + <option value="Da" selected="true">Da</option> + <option value="ppm">ppm</option> + </param> + <when value="Da"> + <param name="mass_delta" label="Delta of mass (MZ) (in Dalton)" type="float" value="0.005" min="0" max="3000" help="Default value is 0.005 Da"/> + </when> + <when value="ppm"> + <param name="mass_delta" label="Delta of mass (MZ) (in ppm)" type="float" value="5" min="0" max="300000" help="Default value is 5 ppm"/> + </when> + </conditional> + + <conditional name="use_input_with_rt"> + <param name="input_as_rt" type="boolean" checked="false" truevalue="YES" falsevalue="NO" label="Would you use retention time (RT)?" help="Do you have retention times (sec. or min.) in your analyzed file? Would you use it?" /> + <when value="NO"/> + <when value="YES"> + <param name="colrt" label="Column of retention time (RT) list" type="data_column" data_ref="variableMetadata_in" accept_default="true" /> + <param name="rt_delta" label="Delta of retention time (RT) (in minutes)" type="float" value="0.1" min="0" max="60" help="Default value is 0.1min"/> + </when> + </conditional> + + <param name="mode" label="Molecular Species " type="select" display="radio" help=""> + <option value="positive">Positif Mode</option> + <option value="negative">Negatif Mode</option> + <option value="neutral">Neutral Mass</option> + </param> + + <conditional name="use_bank_features"> + <param name="as_advanced" type="boolean" checked="false" truevalue="YES" falsevalue="NO" label="[STILL in construction] Would you use advanced bank filters?" help="PeakForest provides quantity of metadata from matched metabolites or matched spectra. Do you want to add filter on ypur query?" /> + <when value="NO"/> + <when value="YES"> + <param name="tissues" label="TO DEV..." type="select" display="radio" help="" > + <option value="tissue">tissue01</option> + <option value="tissue">tissue02</option> + </param> + <param name="technics" label="" type="select" display="radio" help="Please select technics"> + <option value="instrument01">instrument01</option> + <option value="instrument01">instrument02</option> + </param> + </when> + </conditional> + + <param name="verbose" type="select" label="Verbose level" display="radio" help=""> + <option value="1" selected="true">Low</option> + <option value="3" >High</option> + </param> + + </inputs> + + <outputs> + <data name="variableMetadata_out" format="tabular" label="${variableMetadata_in.name[:-6]}.BIH4PF_Full.tabular" /> + <data name="bankInhouseResXls_filein" format="tabular" label="${variableMetadata_in.name[:-6]}.BIH4PF_XLS.tabular" /> + <data name="bankInhouseResHtml_filein" format="html" label="${variableMetadata_in.name[:-6]}.BIH4PF_HTML.html" /> + </outputs> + + <tests> + </tests> + + <help><![CDATA[ + +.. class:: infomark + +**Authors** + | Franck Giacomoni - FLAME ; PFEM ; INRA ; MetaboHUB (for original version and development of this Perl script and for xml interface and Perl wrapper) + | Nils Paulhe - PeakForest ; PFEM ; INRA ; MetaboHUB (For the PeakForest REST part) + +--------------------------------------------------- + + +====================== +bankinhouse4PeakForest +====================== + +----------- +Description +----------- + + | Search informations on a PeakForest bank with a list of masses, with or without retention time + + +Keywords +======== + +m/z + rt to PeakForest info + + +----------------- +Workflow position +----------------- + + +.. image:: bank_inhouse.png + :width: 800 + + +----------- +Input files +----------- + + ++--------------------------------+-----------+ +| Parameter : num + label | Format | ++================================+===========+ +| 1 : File with a list of masses | tabular | ++--------------------------------+-----------+ + +File of masses (Generally variable metadata file) must have at least the 2 following column : + | Masses : column with all the masses in the tabular input file + | RT : (optional) column with all the retention time in the tabular input file + | + + +---------- +Parameters +---------- + +File of masses + | see "Input files" section above + | Tabular file format, Generally variable metadata file + | + +Do you have a header + | YES (default) : parameter **Number of header lines** is visible + | NO : all lines are considered to contain masses + | + +If 'have a header'='YES' + +Number of header lines + | Number of lines not containing masses values, these lines will be ignored + | + +In all header cases : + +Column of Masses + | Specify the column number for the mz in the tabular input file + | + +Would you use retention time (RT) + | YES (default) : parameter **Column of retention time (RT)** and **Delta of retention time (RT) (in minutes)** are visible + | NO : Search will be made only on the basis of the mz + | + +If 'Would you use retention time (RT)'='YES' + +Column of retention time (RT) + | Specify the column number for the retention time (RT) in the tsv input file + | + +Delta of retention time (RT) (in minutes) + | Specify a delta to apply on retention time - This value is a float. + | + + +In all cases : + +Delta mz type + | Specify a delta type : "in Dalton" or "in ppm" + | + +Delta of mass ("in Dalton" or "in ppm" according to choice) + | Specify a delta to apply on mass - This value is a float. + | + + + +------------ +Output files +------------ + +Two types of files (if you manually enter the masses both files are mingled): + | bank_inhouse_(input.name)_FULL.tabular : for linking with others modules. + | + | bank_inhouse_(input.name)_XLS.tabular : an excel-like output will be available. + | + + +--------------------------------------------------- + + +--------------- +Working example +--------------- + + +.. class:: warningmark + +Refer to the corresponding W4M HowTo section: http://workflow4metabolomics.org/howto + | Format Data For Postprocessing + | Perform LCMS Annotations + +.. class:: warningmark + +And their "W4M courses 2018": + | Using Galaxy4Metabolomics - W4M table format for Galaxy + | Annotation Banks - Annotation + + ]]></help> +</tool>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/conf_bih4pforest.cfg Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,41 @@ +## Conf file for bih4pforest.pl script +# +## Version -- edited by F Giacomoni +VERSION=2018.12.12 +# +## ARGVT + +## PForest global Token // Please ask for a personal account if this field is empty +## http://peakforest.org +PF_GLOBAL_TOKEN= + +## PForest WS url - portal and rest service +PF_PORTAL_CPD_URL=https://metabohub.peakforest.org/webapp/home?PFc= +PF_PORTAL_SP_URL=https://metabohub.peakforest.org/webapp/home?PFs= + +## External bank urls for Compound IDS +CHEBI_CPD_URL=https://www.ebi.ac.uk/chebi/searchId.do?chebiId= +HMDB_CPD_URL=http://www.hmdb.ca/metabolites/ + +PF_WS_URL=https://metabohub.peakforest.org/rest +PF_REST_QUERY_CLEAN_RANGE=/spectra/lcms/peaks/get-range-clean +PF_REST_QUERY_SPECTRA=/spectra/lcms +PF_REST_QUERY_COMPOUNDS=/compounds + +BANK_MZ_MIN=0 +BANK_MZ_MAX=10000 +BANK_RT_MIN=0 +BANK_RT_MAX=120 +# +## MZ value +PROTON_MZ=1.0078250321 +ELECTRON_MZ=0.0005486 + +# +## Galaxy url for HTML JS and CSS path +JS_GALAXY_PATH=https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/scripts +CSS_GALAXY_PATH=https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/style +# +## HTML OUTPUT : +HTML_ENTRIES_PER_PAGE=4 +HTML_TEMPLATE=out.tmpl
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/lib/bih4pforest.pm Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,1073 @@ +package lib::bih4pforest ; + +use strict; +use warnings ; +use Exporter ; +use Carp ; +use Math::BigFloat; + +use LWP::Simple; +use LWP::UserAgent; +use Encode; +use HTML::Template ; +use Data::Dumper ; +use Mozilla::CA; +use JSON; + +use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS); + +our $VERSION = "1.0"; +our @ISA = qw(Exporter); +our @EXPORT = qw( db_pforest_get_clean_range map_pfjson_bankobject prepare_multi_masses_query db_pforest_get_compound ); +our %EXPORT_TAGS = ( ALL => [qw( db_pforest_get_clean_range map_pfjson_bankobject prepare_multi_masses_query db_pforest_get_compound)] ); + +=head1 NAME + +My::Module - An example module + +=head1 SYNOPSIS + + use My::Module; + my $object = My::Module->new(); + print $object->as_string; + +=head1 DESCRIPTION + +This module does not really exist, it +was made for the sole purpose of +demonstrating how POD works. + +=head1 METHODS + +Methods are : + +=head2 METHOD new + + ## Description : new + ## Input : $self + ## Ouput : bless $self ; + ## Usage : new() ; + +=cut + +sub new { + ## Variables + my ($class,$args) = @_; + my $self={}; + bless($self) ; + + $self->{_VERBOSE_} = $args->{VERBOSE} ; + + return $self ; +} +### END of SUB + +=head2 METHOD check_interval + + ## Description : checks that the value is in the interval + ## Input : $value, $min, $max + ## Output : $message + ## Usage : $message= check_interval($value, $min, $max) ; + +=cut +## START of SUB +sub check_interval { + ## Retrieve Values + my $self = shift ; + my ( $value, $min, $max ) = @_ ; + + my ( $message ) = undef ; + if ( $min !~ m/^-?\d+\.?\d*$/ ) { + $message="the minimum '".$min."' isn't a valid number!"; + } + elsif ( $max !~ m/^-?\d+\.?\d*$/ ) { + $message="the maximum '".$max."' isn't a valid number!"; + } + elsif ( $value !~ m/^-?\d+\.?\d*$/ ) { + $message="'".$value."' isn't a valid number!"; + } + elsif ( $value < $min ) { + $message="'".$value."' is below the minimum!"; + } + elsif ( $value > $max ) { + $message="'".$value."' is greater than the maximum!"; + } + else { + $message="OK" ; + } + return($message) ; +} +## END of SUB + +=head2 METHOD format_manual_list_values + + ## Description : extract a list of values and built identifiers + ## Input : $value, $sep + ## Output : \@values, \@ids + ## Usage : ($masses, $ids)= format_manual_list_values($mass, $sep) ; + +=cut +## START of SUB +sub format_manual_list_values { + ## Retrieve Values + my $self = shift ; + my ( $value, $sep ) = @_ ; + + my ( @values, @ids ) = ( (), () ) ; + + if ( ( defined $value ) and ( $value ne "" ) and ( defined $sep ) ) { + @values = split($sep, $value); + my $nb = 1+int(log($#values+1)/log(10)); + my $sf = '%0'.$nb.'s'; + for (my $i=1 ; $i<=$#values+1 ; $i++){ + my $id = sprintf($sf, $i) ; + push (@ids,"value_".$id ); + } + } + else { + croak "No value list found \n" ; + } + return(\@values, \@ids) ; +} +## END of SUB + +=head2 METHOD parse_bank_interest + + ## Description : parse csv object and return a two-dimensional array in a hash by grouping information according to the interest value as key. + ## Input : $csv, \$file, $col_interest + ## Output : \%bank_interest, \$head + ## Usage : my ( $bank_interest, $head ) = parse_bank_interest ( $csv, $file, $col_interest ) ; + +=cut +## START of SUB +sub parse_bank_interest { + ## Retrieve Values + my $self = shift ; + my ( $csv, $file, $col_interest ) = @_ ; + + my $bank_interest = () ; + my $oBih = new() ; + + open my $fh, "<:encoding(utf8)", $$file or die "Can't open csv file $$file: $!"; + + my $head = $csv->getline( $fh ); + my $nb_line = 1 ; ## for error messages + + while ( my $row = $csv->getline( $fh ) ) { + $nb_line++ ; + if ($#$head != $#$row) { croak "Not the same number of columns over the file of the interest bank! See the line: $nb_line in your input bank file!\n" ; } + ## it would be more general to do the following masse check out this function - commented - No interest to do this here - FG 13/11/18 +# my ($MZmessage) = $oBih->check_interval($$row[$col_interest], 0, 10000) ; +# if ($MZmessage ne 'OK') { $col_interest++; croak "There is at least one row (See the line : $nb_line) where in the column $col_interest : $MZmessage\n" ; } #/!\ col_interest++ to print to user a not-table (@) value. + + push (@{$bank_interest->{$$row[$col_interest]}}, $row ) ; + } +# print Dumper $bank_interest; exit; + $csv->eof or $csv->error_diag(); + close $fh; + return($bank_interest, $head) ; +} +## END of SUB + +=head2 METHOD mz_delta_conversion + + ## Description : returns the minimum and maximum mass according to the delta + ## Input : \$mass, \$delta_type, \$mz_delta + ## Output : \$min, \$max + ## Usage : ($min, $max)= mz_delta_conversion($mass, $delta_type, $mz_delta) ; + +=cut +## START of SUB +sub mz_delta_conversion { + ## Retrieve Values + my $self = shift ; + my ( $mass, $delta_type, $mz_delta ) = @_ ; + my ( $computedDeltaMz, $min, $max ) = ( 0, undef, undef ) ; + + if ($$delta_type eq 'ppm') { $computedDeltaMz = ($$mz_delta * 10**-6 * $$mass); } + elsif ($$delta_type eq 'Da') { $computedDeltaMz = $$mz_delta ; } + else { croak "The masses delta type '$$delta_type' isn't a valid type !\n" ; } + + + # Determine the number of decimals of the mz and of the delta (adding 0.1 if mz = 100 or 0.01 if mz = 100.1 ) + my @decimalMzPart = split (/\./, $$mass) ; + my @decimalDeltaPart = split (/\./, $computedDeltaMz) ; + + my ($decimalMzPart, $decimalDeltaPart, $decimalLength, $nbDecimalMz, $nbDecimalDelta) = (0, 0, 0, 0, 0) ; + + if ($#decimalMzPart+1 == 1) { $decimalMzPart = 0 ; } + else { $decimalMzPart = $decimalMzPart[1] ; } + + if ($#decimalDeltaPart+1 == 1) { $decimalDeltaPart = 0 ; } + else { $decimalDeltaPart = $decimalDeltaPart[1] ; } + + if ( ($decimalMzPart == 0 ) and ($decimalDeltaPart == 0 ) ) { + $decimalLength = 1 ; + } + else { + $nbDecimalMz = length ($decimalMzPart)+1 ; + $nbDecimalDelta = length ($decimalDeltaPart)+1 ; + + if ( $nbDecimalMz >= $nbDecimalDelta ) { $decimalLength = $nbDecimalMz ; } + if ( $nbDecimalDelta >= $nbDecimalMz ) { $decimalLength = $nbDecimalDelta ; } + } + + my $deltaAdjustment = sprintf ("0."."%.$decimalLength"."d", 1 ) ; + +# print "$$mass: $decimalMzPart -> $nbDecimalMz, $$mz_delta: $decimalDeltaPart -> $nbDecimalDelta ==> $deltaAdjustment \n " ; + + $min = $$mass - $computedDeltaMz ; + $max = $$mass + $computedDeltaMz + $deltaAdjustment ; ## it's to included the maximum value in the search + + return(\$min, \$max) ; +} +## END of SUB + +=head2 METHOD dichotomi_search + + ## Description : returns the index of the position or the interval value + ## does not work if there are duplicates in the table + ## Input : \@tab, \$search + ## Output : \$index + ## Usage : ($index)= dichotomi_search($mass, $sep) ; + +=cut +## START of SUB +sub dichotomi_search { + ## Retrieve Values + my $self = shift ; + my ( $tab, $search ) = @_ ; + my ($sup, $inf, $demi) = (scalar(@{$tab})-1, 0, 0); + + while(1) { + $demi = int(($sup + $inf)/2); + if($sup < $inf) { + if($inf==0){ $demi=-1; } elsif($sup==scalar(@{$tab})-1){ $demi=scalar(@{$tab}); } ## to distinguish items off limits + last; + } + elsif ( ($$search == $$tab[$demi]) ) { last; } + elsif ( ($$search > $$tab[$demi-1]) && ($$search < @$tab[$demi]) ) { last; } + elsif($$search < $$tab[$demi]) { $sup = $demi - 1; next; } + else { $inf = $demi + 1; next; } + } + + return(\$demi) ; +} +## END of SUB + +=head2 METHOD extract_sub_mz_lists + + ## Description : extract a couples of sublist from a long mz list (more than $HMDB_LIMITS) + ## Input : $HMDB_LIMITS, $masses + ## Output : $sublists + ## Usage : my ( $sublists ) = extract_sub_mz_lists( $HMDB_LIMITS, $masses ) ; + +=cut +## START of SUB +sub extract_sub_mz_lists { + ## Retrieve Values + my $self = shift ; + my ( $masses, $HMDB_LIMITS ) = @_ ; + + my ( @sublists, @sublist ) = ( (), () ) ; + my $nb_mz = 0 ; + my $nb_total_mzs = scalar(@{$masses}) ; + + for ( my $current_pos = 0 ; $current_pos < $nb_total_mzs ; $current_pos++ ) { + + if ( $nb_mz < $HMDB_LIMITS ) { + if ( $masses->[$current_pos] ) { push (@sublist, $masses->[$current_pos]) ; $nb_mz++ ; } # build sub list + } + elsif ( $nb_mz == $HMDB_LIMITS ) { + my @tmp = @sublist ; push (@sublists, \@tmp) ; @sublist = () ; $nb_mz = 0 ; + $current_pos-- ; + } + if ($current_pos == $nb_total_mzs-1) { my @tmp = @sublist ; push (@sublists, \@tmp) ; } + } + return(\@sublists) ; +} +## END of SUB + + +=head2 METHOD set_html_tbody_object + + ## Description : initializes and build the tbody object (perl array) need to html template + ## Input : $nb_pages, $nb_items_per_page + ## Output : $tbody_object + ## Usage : my ( $tbody_object ) = set_html_tbody_object($nb_pages, $nb_items_per_page) ; + +=cut +## START of SUB +sub set_html_tbody_object { + my $self = shift ; + my ( $nb_pages, $nb_items_per_page ) = @_ ; + + my ( @tbody_object ) = ( ) ; + + for ( my $i = 1 ; $i <= $nb_pages ; $i++ ) { + + my %pages = ( + # tbody feature + PAGE_NB => $i, + MASSES => [], ## end MASSES + ) ; ## end TBODY N + push (@tbody_object, \%pages) ; + } + return(\@tbody_object) ; +} +## END of SUB + +=head2 METHOD add_mz_to_tbody_object + + ## Description : initializes and build the mz object (perl array) need to html template + ## Input : $tbody_object, $nb_items_per_page, $mz_list + ## Output : $tbody_object + ## Usage : my ( $tbody_object ) = add_mz_to_tbody_object( $tbody_object, $nb_items_per_page, $mz_list ) ; + +=cut +## START of SUB +sub add_mz_to_tbody_object { + my $self = shift ; + my ( $tbody_object, $nb_items_per_page, $mz_list, $ids_list ) = @_ ; + + my ( $current_page, $mz_index ) = ( 0, 0 ) ; + + foreach my $page ( @{$tbody_object} ) { + + my @colors = ('white', 'green') ; + my ( $current_index, , $icolor ) = ( 0, 0 ) ; + + for ( my $i = 1 ; $i <= $nb_items_per_page ; $i++ ) { + # + if ( $current_index > $nb_items_per_page ) { ## manage exact mz per html page + $current_index = 0 ; + last ; ## + } + else { + $current_index++ ; + if ( $icolor > 1 ) { $icolor = 0 ; } + + if ( exists $mz_list->[$mz_index] ) { + + my %mz = ( + # mass feature + MASSES_MZ_QUERY => $mz_list->[$mz_index], + MZ_COLOR => $colors[$icolor], + MASSES_NB => $mz_index+1, + ENTRIES => [] , + ) ; + push ( @{ $tbody_object->[$current_page]{MASSES} }, \%mz ) ; + # Html attr for mass + $icolor++ ; + } + } + $mz_index++ ; + } ## foreach mz + + $current_page++ ; + } + return($tbody_object) ; +} +## END of SUB + +=head2 METHOD add_entries_to_tbody_object + + ## Description : initializes and build the mz object (perl array) need to html template + ## Input : $tbody_object, $nb_items_per_page, $mz_list, $entries + ## Output : $tbody_object + ## Usage : my ( $tbody_object ) = add_entries_to_tbody_object( $tbody_object, $nb_items_per_page, $mz_list, $entries ) ; + +=cut +## START of SUB +sub add_entries_to_tbody_object { + ## Retrieve Values + my $self = shift ; + my ( $tbody_object, $nb_items_per_page, $mz_list, $entries ) = @_ ; + + my $index_page = 0 ; + my $index_mz_continous = 0 ; + + foreach my $page (@{$tbody_object}) { + + my $index_mz = 0 ; + + foreach my $mz (@{ $tbody_object->[$index_page]{MASSES} }) { + + my $index_entry = 0 ; + + my @anti_redondant = ('N/A') ; + my $check_rebond = 0 ; + + foreach my $entry (@{ $entries->[$index_mz_continous] }) { + + ## dispo anti doublons des entries +# foreach my $rebond (@anti_redondant) { +# if ( $rebond eq $entries->[$index_mz_continous][$index_entry][3] ) { $check_rebond = 1 ; last ; } +# } + + if ( $check_rebond == 0 ) { + +# push ( @anti_redondant, $entries->[$index_mz_continous][$index_entry][3] ) ; + + # Compute delta MZs + my $format_float = Math::BigFloat->new($entries->[$index_mz_continous][$index_entry][0]); ## requires "use Math::BigFloat;" + my $delta_mass = abs( $format_float-$mz_list->[$index_mz_continous] ); ## management problem on small float + my %entry = ( + ENTRY_COLOR => $tbody_object->[$index_page]{MASSES}[$index_mz]{MZ_COLOR}, + ENTRY_FRAG_MZ => $entries->[$index_mz_continous][$index_entry][0], # FragMz_metabohub.pf.org + ENTRY_ATTRIBUTION => $entries->[$index_mz_continous][$index_entry][1], # Attribution_metabohub.pf.org + ENTRY_MZ_DELTA => sprintf("%.4f", $delta_mass), + ENTRY_ENTRY_ID => $entries->[$index_mz_continous][$index_entry][2], # CpdID_metabohub.pf.org + ENTRY_ENTRY_ID2 => $entries->[$index_mz_continous][$index_entry][3], # CpdID_metabohub.pf.org + ENTRY_CPDNAME => $entries->[$index_mz_continous][$index_entry][4], #CpdName_metabohub.pf.org + ENTRY_CPD_MZ => $entries->[$index_mz_continous][$index_entry][5], # CpdMonoMass_metabohub.pf.org + ENTRY_FORMULA => $entries->[$index_mz_continous][$index_entry][6], # CpdFormula_metabohub.pf.org +# ENTRY_INCHIKEY => $entries->[$index_mz_continous][$index_entry][7], # CpdInChIKey_metabohub.pf.org + ENTRY_CHEBI_ID => $entries->[$index_mz_continous][$index_entry][8], # CpdFormula_metabohub.pf.org + ENTRY_HMDB_ID => $entries->[$index_mz_continous][$index_entry][9], # Cpd-HMDB-ID_metabohub.pf.org + ENTRY_CHEBI_ID2 => $entries->[$index_mz_continous][$index_entry][10], # CpdFormula_metabohub.pf.org + ENTRY_HMDB_ID2 => $entries->[$index_mz_continous][$index_entry][11], # Cpd-HMDB-ID_metabohub.pf.org + + ENTRY_SPECTRA_ID => $entries->[$index_mz_continous][$index_entry][12], # SpectrumID_metabohub.pf.org + ENTRY_SPECTRA_ID2 => $entries->[$index_mz_continous][$index_entry][13], # SpectrumID_metabohub.pf.org + ENTRY_SP_NAME => $entries->[$index_mz_continous][$index_entry][14], # SpName_metabohub.pf.org + ENTRY_SP_TYPE => $entries->[$index_mz_continous][$index_entry][15], # SpType_metabohub.pf.org + ENTRY_SP_RESOLUTION => $entries->[$index_mz_continous][$index_entry][16], # SpRes_metabohub.pf.org + ENTRY_SP_QUALITY => $entries->[$index_mz_continous][$index_entry][17], # SpQuality_metabohub.pf.org +# ENTRY_SP_SPLASH => $entries->[$index_mz_continous][$index_entry][18], # SpSplash_metabohub.pf.org + ) ; + + push ( @{ $tbody_object->[$index_page]{MASSES}[$index_mz]{ENTRIES} }, \%entry) ; + } + $check_rebond = 0 ; ## reinit double control + $index_entry++ ; + } + $index_mz ++ ; + $index_mz_continous ++ ; + } + $index_page++ ; + } + return($tbody_object) ; +} +## END of SUB + +=head2 METHOD write_html_skel + + ## Description : prepare and write the html output file + ## Input : $html_file_name, $html_object, $html_template + ## Output : $html_file_name + ## Usage : my ( $html_file_name ) = write_html_skel( $html_file_name, $html_object ) ; + +=cut +## START of SUB +sub write_html_skel { + ## Retrieve Values + my $self = shift ; + my ( $html_file_name, $html_object, $pages , $search_condition, $html_template, $js_path, $css_path, $pf_cpd_path, $pf_sp_path ) = @_ ; + + my $html_file = $$html_file_name ; + + if ( defined $html_file ) { + open ( HTML, ">$html_file" ) or die "Can't create the output file $html_file " ; + + if (-e $html_template) { + my $ohtml = HTML::Template->new(filename => $html_template); + $ohtml->param( JS_GALAXY_PATH => $js_path, CSS_GALAXY_PATH => $css_path ) ; + $ohtml->param( CONDITIONS => $search_condition ) ; + $ohtml->param( PAGES_NB => $pages ) ; + $ohtml->param( PAGES => $html_object ) ; + + print HTML $ohtml->output ; + } + else { + croak "Can't fill any html output : No template available ($html_template)\n" ; + } + + close (HTML) ; + } + else { + croak "No output file name available to write HTML file\n" ; + } + return(\$html_file) ; +} +## END of SUB + +=head2 METHOD set_bih_matrix_object + + ## Description : build the bih_row under its ref form + ## Input : $header, $init_mzs, $col_mzdb, $results, $rts, $col_rtdb, $bank_head, $sep + ## Output : $hmdb_matrix + ## Usage : my ( $hmdb_matrix ) = set_bih_matrix_object( $header, $init_mzs, $col_mzdb, $results, $rts, $col_rtdb, $bank_head, $sep ) ; + +=cut +## START of SUB +sub set_bih_matrix_object { + ## Retrieve Values + my $self = shift ; + my ( $header, $init_mzs, $col_mzdb, $results, $rts, $col_rtdb, $bank_head, $sep ) = @_ ; + + my @bih_matrix = () ; + + if ( defined $header ) { + my @headers = () ; + push @headers, $header ; + push @bih_matrix, \@headers ; + } + + my $index_mz = 0 ; + $col_mzdb -= 1; $col_rtdb -= 1; ## conversion in array number + + foreach my $mz ( @{$init_mzs} ) { + + my $index_entries = 0 ; + my @clusters = () ; + my $cluster_col = undef ; + + foreach my $entry (@{ $results->[$index_mz] }) { + + my $format_float = Math::BigFloat->new($entry->[$col_mzdb]); ## requires "use Math::BigFloat;" + my $delta_mz = abs( $format_float-$mz ); ## management problem on small float + # manage final pipe + if ($index_entries == 0){ $cluster_col .= $delta_mz.$sep.$entry->[$col_mzdb].$sep ; } ## Managing multiple results transition pipes "|" + else{ $cluster_col .= '|'.$delta_mz.$sep.$entry->[$col_mzdb].$sep ; } + + if ( ( defined $rts ) and ( $rts ne "" ) ) { + my $rt = $rts->[$index_mz] ; + my $format_float_rt = Math::BigFloat->new($entry->[$col_rtdb]); ## requires "use Math::BigFloat;" + my $delta_rt = abs( $format_float_rt-$rt ); ## management problem on small float + $cluster_col .= $delta_rt.$sep.$entry->[$col_rtdb].$sep; + } + for (my $i=0; $i<=$#$entry; $i++){ + + if ($entry->[$i]) { + if ($entry->[$i] ne '') { + if($i == $#$entry){ $cluster_col .= $entry->[$i]; } ## Managing multiple results transition "#" + else { $cluster_col .= $entry->[$i].$sep; } + } + else { + if($i == $#$entry){ $cluster_col .= 'NA'; } ## Managing multiple results transition "#" + else { $cluster_col .= 'NA'.$sep; } + } + } + else { + $cluster_col .= 'NA'.$sep; + } + +# if($i == $#$entry){ $cluster_col .= $entry->[$i]; } ## Managing multiple results transition "#" +# else { $cluster_col .= $entry->[$i].$sep; } + } + $index_entries++ ; + } + if ( !defined $cluster_col ) { $cluster_col = 'No_match_in_bank' ; } + + ## $cluster_col like METLIN data display model but the "::" have been modified (#) for ease of Excel reading + ## entry1=VAR1::VAR2::VAR3::VAR4|entry2=VAR1::VAR2::VAR3::VAR4|... + push (@clusters, $cluster_col) ; + push (@bih_matrix, \@clusters) ; + $index_mz++ ; + } + return(\@bih_matrix) ; +} +## END of SUB + +=head2 METHOD add_bih_matrix_to_input_matrix + + ## Description : build a full matrix (input + lm column) + ## Input : $input_matrix_object, $lm_matrix_object, $nb_header + ## Output : $output_matrix_object + ## Usage : my ( $output_matrix_object ) = add_bih_matrix_to_input_matrix( $input_matrix_object, $lm_matrix_object, $nb_header ) ; + +=cut +## START of SUB +sub add_bih_matrix_to_input_matrix { + ## Retrieve Values + my $self = shift ; + my ( $input_matrix_object, $lm_matrix_object, $nb_header ) = @_ ; + + my @output_matrix_object = () ; + my $index_row = 0 ; + my $line = 0 ; + + foreach my $row ( @{$input_matrix_object} ) { + my @init_row = @{$row} ; + $line++; + + if ( ( defined $nb_header ) and ( $line <= $nb_header) ) { + push (@output_matrix_object, \@init_row) ; + next ; + } + + if ( $lm_matrix_object->[$index_row] ) { + my $dim = scalar(@{$lm_matrix_object->[$index_row]}) ; + + if ($dim > 1) { warn "the add method can't manage more than one column\n" ;} + if (defined $lm_matrix_object->[$index_row][$dim-1]) { + my $lm_col = $lm_matrix_object->[$index_row][$dim-1] ; + push (@init_row, $lm_col) ; + } + + $index_row++ ; + } + push (@output_matrix_object, \@init_row) ; + } + return(\@output_matrix_object) ; +} +## END of SUB + +=head2 METHOD write_csv_skel + + ## Description : prepare and write csv output file + ## Input : $csv_file, $rows + ## Output : $csv_file + ## Usage : my ( $csv_file ) = write_csv_skel( $csv_file, $rows ) ; + +=cut +## START of SUB +sub write_csv_skel { + ## Retrieve Values + my $self = shift ; + my ( $csv_file, $rows ) = @_ ; + + my $ocsv = lib::csv::new() ; + my $csv = $ocsv->get_csv_object("\t") ; + $ocsv->write_csv_from_arrays($csv, $$csv_file, $rows) ; + + return($csv_file) ; +} +## END of SUB + + +=head2 METHOD write_full_excel_like + + ## Description : allows to print a tsv file + ## Input : $input_matrix_object, $sep, $masses, $mz_delta_type, $mz_delta, $col_mzdb, $rts, $rt_delta, $col_rtdb, $results, $file, $nb_header, $bank_head, $bank_name + ## Output : N/A + ## Usage : write_full_excel_like( $input_matrix_object, $sep, $masses, $mz_delta_type, $mz_delta, $col_mzdb, $rts, $rt_delta, $col_rtdb, $results, $file, $nb_header, $bank_head, $bank_name ) ; + +=cut +## START of SUB +sub write_full_excel_like { + ## Retrieve Values + my $self = shift ; + my ( $input_matrix_object, $sep, $masses, $results, $file, $nb_header, $bank_head, $bank_name ) = @_ ; + open(CSV, '>:utf8', $file) or die "Cant' create the file $file\n" ; + + my $line = 0 ; + my $index_mz = 0 ; +# $col_mzdb -= 1; +# $col_rtdb -= 1; ## conversion in array number + + foreach my $row ( @{$input_matrix_object} ) { + my $join_row = join($sep, @$row); + + if ( defined $nb_header ){ + $line++; + if ( $line < $nb_header ) { print CSV $join_row."\n"; next ; } + elsif ( $line == $nb_header ){ + my $head = join("_".$bank_name.$sep, @$bank_head); + print CSV $join_row.$sep.$head."_".$bank_name."\n"; + next ; + } + } + + my $mass = $masses->[$index_mz] ; + my $results4mass = $results->[$index_mz]; + + if ( ref($results4mass) eq 'ARRAY' and defined $results4mass and $results4mass ne [] and $#$results4mass>=0) { ## an requested id has a result in the list of array $results. + foreach my $entry (@{$results->[$index_mz]}) { + print CSV $join_row ; +# print CSV $delta_mass."\t".$entry->[$col_mzdb]; + +# if ( ( defined $rts ) and ( $rts ne "" ) ) { +# my $rt = $rts->[$index_mz] ; +# my $format_float_rt = Math::BigFloat->new($entry->[$col_rtdb]); ## requires "use Math::BigFloat;" +# my $delta_rt = abs( $format_float_rt-$rt ); ## management problem on small float +# print CSV "\t".$rt."\t".$delta_rt."\t".$entry->[$col_rtdb]; +# } + # Map array of result with output format +# my @excludedFields = (3, 7, 7, 7, 7, 8) ; # exclude url links - first slice reduce the size of the array at the first iteration... +# foreach my $excludefield (@excludedFields) { +# splice @$entry, $excludefield, 1; +# } +# +# # Compute delta MZs +# my $format_float = Math::BigFloat->new($entry->[0]); ## requires "use Math::BigFloat;" +# my $delta_mass = abs( $format_float-$mass ); ## management problem on small float +# splice @$entry, 1, 0, (sprintf("%.4f", $delta_mass) ) ; + + # print cleaned entries + for (my $i=0; $i<=$#$entry; $i++){ + if ($entry->[$i]) { + if ($entry->[$i] ne '' ) { print CSV "\t".$entry->[$i]; } + else { print CSV "\tNA"; } + } + else { + print CSV "\tNA"; + } + } + print CSV "\n"; + } + } + else { + print CSV $join_row."\tNo_match_in_bank"; + for (my $i=0; $i<$#$bank_head; $i++){ print CSV "\tNA"; } + print CSV "\n"; + } + $index_mz++ ; + } + close(CSV) ; + return() ; +} +## END of SUB + + +=head2 METHOD write_excel_like_mass + + ## Description : allows to print a tsv file if retention time is required + ## Input : $masses, $completedResults, $out_xls, $bank_head + ## Output : N/A + ## Usage : write_excel_like_mass( $masses, $completedResults, $out_xls, $bank_head ) ; +=cut +## START of SUB +sub write_excel_like_mass { + ## Retrieve Values + my $self = shift ; + my ( $masses, $completedResults, $out_xls, $bank_head ) = @_ ; + + open(CSV, '>:utf8', $out_xls) or die "Cant' create the file $out_xls\n" ; + + my $index_mz = 0 ; my @bank_head = @$bank_head; +# $col_mzdb -= 1; ## conversion in array number +# if ( ( defined $rts ) and ( $rts ne "" ) ) { +# splice (@bank_head, 2, 0, "RtQuery"); +# $col_rtdb -= 1; ## conversion in array number +# } + my $head = join("\t", @bank_head); + print CSV "ExpMz\t".$head."\n" ; + + foreach my $mass (@{$masses}) { + my $results4mass = $completedResults->[$index_mz]; + + if ( ref($results4mass) eq 'ARRAY' and defined $results4mass and $results4mass ne [] and $#$results4mass>=0) { ## an requested id has a result in the list of array $results. + foreach my $entry (@{$completedResults->[$index_mz]}) { + print CSV $mass ; + +# if ( ( defined $rts ) and ( $rts ne "" ) ) { +# my $rt = $rts->[$index_mz] ; +# my $format_float_rt = Math::BigFloat->new($entry->[$col_rtdb]); ## requires "use Math::BigFloat;" +# my $delta_rt = abs( $format_float_rt-$rt ); ## management problem on small float +# print CSV "\t".$rt."\t".$delta_rt."\t".$entry->[$col_rtdb]; +# } + + # Map array of result with output format + my @excludedFields = (3, 7, 7, 7, 7, 8 ) ; # exclude url links - first slice reduce the size of the array at the first iteration... + foreach my $excludefield (@excludedFields) { + splice @$entry, $excludefield, 1; + } + + # Compute delta MZs + my $format_float = Math::BigFloat->new($entry->[0]); ## requires "use Math::BigFloat;" + my $delta_mass = abs( $format_float-$mass ); ## management problem on small float + splice @$entry, 1, 0, (sprintf("%.4f", $delta_mass) ) ; + + + + # print cleaned entries + for (my $i=0; $i<=$#$entry; $i++){ + if ($entry->[$i]) { + if ($entry->[$i] ne '' ) { print CSV "\t".$entry->[$i]; } + else { print CSV "\tNA"; } + } + else { + print CSV "\tNA"; + } + } + print CSV "\n"; + } + } + #No matching result + else { + print CSV $mass."\tNo_match_in_bank\t"; + for (my $i=0; $i<$#bank_head-1; $i++){ print CSV "\tNA"; } + print CSV "\n"; + } + $index_mz++ ; + } + close(CSV) ; + return() ; +} +## END of SUB + + +=head2 METHOD db_pforest_get_clean_range + + ## Description : get a clean range of mass from PeakForest and REST + ## Input : $ws_host, $query, $max + ## Output : $json + ## Usage : $json = db_pforest_get_clean_range( $ws_host, $query, $max ) ; +=cut +## START of SUB + + +sub db_pforest_get_clean_range { + my $self = shift; + my ( $TOKEN, $ws_host, $query, $min, $max, $mode) = @_; + + my $json = undef ; + # Example of query "https://metabohub.peakforest.org/rest/spectra/lcms/peaks/get-range-clean/100.07/115.09?mode=pos&token=XXX"; + + + my $complete_query = $ws_host.$query.'/'.$min.'/'.$max ; + + if (defined $mode) { $complete_query = $complete_query.'?mode='.$mode ; } + if (defined $TOKEN) { $complete_query = $complete_query.'&token='.$TOKEN ; } + + my $URL = $complete_query ; + + + my $ua = LWP::UserAgent->new; +# $ua->ssl_opts(SSL_ca_file => Mozilla::CA::SSL_ca_file(), timeout => 100, verify_hostname => 1); +# $ua->ssl_opts(SSL_ca_file => 'metabohubpeakforestorg.crt', timeout => 100, verify_hostname => 1); + $ua->ssl_opts(timeout => 100, verify_hostname => 0); + my $req = HTTP::Request->new(GET => $URL); + #$req->authorization_basic('[hide]','[hide]'); + my $response = $ua->request($req); + if ($response->is_success) { + $json = decode_json $response->decoded_content; + } + else { + print "Error: ",$response->status_line; + } + +# print Dumper $json ; + + return ($json) ; +} +## END of SUB + +=head2 METHOD db_pforest_get_compound + + ## Description : get compound information from PeakForest and REST + ## Input : $TOKEN $ws_host, $query, $cpdId + ## Output : $json + ## Usage : $json = db_pforest_get_compound( $TOKEN, $ws_host, $query, $cpdId ) ; +=cut +## START of SUB + + +sub db_pforest_get_compound { + my $self = shift; + my ( $TOKEN, $ws_host, $query, $cpdId) = @_; + + my $json = undef ; + # Example of query "https://metabohub.peakforest.org/rest/compounds/388?token=XXXXX"; + + + my $complete_query = $ws_host.$query.'/'.$cpdId ; + + if (defined $TOKEN) { $complete_query = $complete_query.'?token='.$TOKEN ; } + + my $URL = $complete_query ; + + print "$URL\n" ; + + my $ua = LWP::UserAgent->new; + +# $ua->ssl_opts(SSL_ca_file => 'informatique-miainrafr.crt', timeout => 100, verify_hostname => 1); + $ua->ssl_opts(timeout => 100, verify_hostname => 0); + my $req = HTTP::Request->new(GET => $URL); + my $response = $ua->request($req); + + if ($response->is_success) { + $json = decode_json $response->decoded_content; + } + else { + print "Error: ",$response->status_line; + } + +# print Dumper $json ; + + return ($json) ; +} +## END of SUB + +=head2 METHOD db_pforest_get_spectra + + ## Description : get spectrum information from PeakForest and REST + ## Input : $TOKEN $ws_host, $query, $spectrumId + ## Output : $json + ## Usage : $json = db_pforest_get_spectra( $TOKEN, $ws_host, $query, $spectrumId ) ; +=cut +## START of SUB + + +sub db_pforest_get_spectra { + my $self = shift; + my ( $TOKEN, $ws_host, $query, $spectrumId) = @_; + + my $json = undef ; + # Example of query "https://metabohub.peakforest.org/rest/spectra/lcms/1901?token=XXXX"; + + + my $complete_query = $ws_host.$query.'/'.$spectrumId ; + + if (defined $TOKEN) { $complete_query = $complete_query.'?token='.$TOKEN ; } + + my $URL = $complete_query ; + + + my $ua = LWP::UserAgent->new; +# $ua->ssl_opts(SSL_ca_file => Mozilla::CA::SSL_ca_file(), timeout => 100, verify_hostname => 1); +# $ua->ssl_opts(SSL_ca_file => 'informatique-miainrafr.crt', timeout => 100, verify_hostname => 1); + $ua->ssl_opts(timeout => 100, verify_hostname => 0); + my $req = HTTP::Request->new(GET => $URL); + my $response = $ua->request($req); + if ($response->is_success) { + $json = decode_json $response->decoded_content; + } + else { + print "Error: ",$response->status_line; + } + +# print Dumper $json ; + + return ($json) ; +} +## END of SUB + +=head2 METHOD map_pfjson_bankobject + + ## Description : map PForest json with the original BiH Bank object + ## Input : $json + ## Output : $complete_bank, $bank_head + ## Usage : ($complete_bank, $bank_heads) = map_pfjson_bankobject( json ) ; +=cut +## START of SUB +sub map_pfjson_bankobject { + my $self = shift; + my ( $json ) = @_; + + my ( %complete_bank ) = () ; + my ( @bank_head ) = ('CpdID', 'FragMz', 'Attribution', 'SpectrumID') ; + + foreach my $cpd (@$json) { + + ## Add just ion with + if ($cpd->{'thMass'} and $cpd->{'attribution'} and $cpd->{'sp'}) { + + if (!$complete_bank{$cpd->{'thMass'}}) { + $complete_bank{$cpd->{'thMass'}} = [] ; + } + + my @tmp = @{$cpd->{'cpds'}} ; + + push ( @tmp, $cpd->{'thMass'} ) ; + push ( @tmp, $cpd->{'attribution'} ) ; + push ( @tmp, $cpd->{'sp'} ) ; + push ( @{ $complete_bank{$cpd->{'thMass'} } }, \@tmp ) ; + } + + + + } + return (\%complete_bank, \@bank_head) ; +} +## END of SUB + +=head2 METHOD mapJson2CompoundObject + + ## Description : map PForest json compound with the original BiH Bank object + ## Input : $cpd + ## Output : $cpdFeatures, $cpdHeads + ## Usage : ($cpdFeatures, $cpdHeads) = mapJson2CompoundObject( $cpd ) ; +=cut +## START of SUB +sub mapJson2CompoundObject { + my $self = shift; + my ( $cpd ) = @_; + + my ( @cpdFeatures ) = () ; + my ( @cpdHeads ) = ('CpdName', 'CpdMonoMass', 'CpdFormula', 'CpdInChIKey', 'ChEBI-ID', 'HMDB-ID') ; + + ## Add just ion with + if ( $cpd->{'monoisotopicMass'} and $cpd->{'mainName'} and $cpd->{'formula'} and $cpd->{'inChIKey'} ) { + my @tmp = () ; + push ( @cpdFeatures, $cpd->{'mainName'} ) ; + push ( @cpdFeatures, $cpd->{'monoisotopicMass'} ) ; + push ( @cpdFeatures, $cpd->{'formula'} ) ; + push ( @cpdFeatures, $cpd->{'inChIKey'} ) ; + + ## Add optionnal information as external IDS + if ( $cpd->{'ChEBI'} ) { push ( @cpdFeatures, $cpd->{'ChEBI'} ) ; } + else { push ( @cpdFeatures, 'NA' ) ; } + + if ( $cpd->{'HMDB'} ) { push ( @cpdFeatures, $cpd->{'HMDB'} ) ; } + else { push ( @cpdFeatures, 'NA' ) ; } + } + + return (\@cpdFeatures, \@cpdHeads) ; +} +## END of SUB + +=head2 METHOD mapJson2SpectrumObject + + ## Description : map PForest json spectrum with the original BiH Bank object + ## Input : $spectrum + ## Output : $spectrumFeatures, $spectrumHeads + ## Usage : ($spectrumFeatures, $spectrumHeads) = mapJson2SpectrumObject( $spectrum ) ; +=cut +## START of SUB +sub mapJson2SpectrumObject { + my $self = shift; + my ( $spectrum ) = @_; + + my ( @spectrumFeatures ) = () ; + my ( @spectrumHeads ) = ('SpName', 'SpType', 'SpRes', 'SpQuality', 'SpSplash') ; + + ## Add just ion with + if ( $spectrum->{'massBankViaPfemName'} and $spectrum->{'massType'} and $spectrum->{'resolution'} and $spectrum->{'curationLvl'} and $spectrum->{'splash'} ) { + my @tmp = () ; + push ( @spectrumFeatures, $spectrum->{'massBankViaPfemName'} ) ; + push ( @spectrumFeatures, $spectrum->{'massType'} ) ; + push ( @spectrumFeatures, $spectrum->{'resolution'} ) ; + push ( @spectrumFeatures, $spectrum->{'curationLvl'} ) ; + push ( @spectrumFeatures, $spectrum->{'splash'} ) ; + } + return (\@spectrumFeatures, \@spectrumHeads) ; +} +## END of SUB + + + +1 ; + + +__END__ + +=head1 SUPPORT + +You can find documentation for this module with the perldoc command. + + perldoc bih.pm + +=head1 Exports + +=over 4 + +=item :ALL is prepare_multi_masses_query + +=back + +=head1 AUTHOR + +Marion Landi E<lt>marion.landi@clermont.inra.frE<gt> + +=head1 LICENSE + +This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself. + +=head1 VERSION + +version 1 : 19 / 11 / 2014 + +=cut
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/lib/conf.pm Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,259 @@ +package lib::conf ; + +use strict; +use warnings ; +use Exporter ; +use Carp ; +use Data::Dumper ; + +use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS); + +our $VERSION = "1.0" ; +our @ISA = qw(Exporter) ; +our @EXPORT = qw( as_conf get_value_from_conf check_path_and_file ) ; +our %EXPORT_TAGS = ( ALL => [qw( as_conf get_value_from_conf )] ) ; + +=head1 NAME + +conf - A module for manage pfem conf file + +=head1 SYNOPSIS + + use conf ; + my $object = conf->new() ; + +=head1 DESCRIPTION + +This module does manage conf file (extract all or selected fields) + +=head1 METHODS + +Methods are : + +=head2 METHOD new + + ## Description : new + ## Input : $self + ## Ouput : bless $self ; + ## Usage : new() ; + +=cut +## START of SUB +sub new { + ## Variables + my $self={}; + bless($self) ; + return $self ; +} +### END of SUB + +=head2 METHOD as_conf + + ## Description : permet de creer l'object conf a partir d'un fichier de conf de type KEY=VALUE + ## Input : $file + ## Ouput : $oConf (a hash) + ## Usage : my ( $oConf ) = as_conf( $file ) ; + +=cut +## START of SUB +sub as_conf { + ## Retrieve Values + my $self = shift ; + my ( $file, $separator ) = @_ ; + +# if (!defined $separator) { $separator = ';' } ## set separator to ; + + if ( !defined $file ) { croak "Can't create object with an none defined file\n" ; } + + my %Conf = () ; ## Hash devant contenir l'ensemble des parametres locaux + + if (-e $file) { + open (CFG, "<$file") or die "Can't open $file\n" ; + while (<CFG>) { + chomp $_ ; + if ( $_ =~ /^#(.*)/) { next ; } + elsif ($_ =~/^(\w+?)=(.*)/) { ## ALPHANUMERIC OR UNDERSCORE ONLY FOR THE KEY AND ANYTHING ELSE FOR VALUE + + my ($key, $value) = ($1, $2) ; + + if (defined $separator) { + if ( $value=~/$separator/ ) { ## is a list to split + my @tmp = split(/$separator/ , $value) ; + $Conf{$key} = \@tmp ; + } + } + else { + $Conf{$key} = $value ; + } + } + } + close(CFG) ; + } + else { + croak "Can't create object with an none existing file\n" ; + } + + return ( \%Conf ) ; +} +## END of SUB + +=head2 METHOD as_conf_list + + ## Description : permet de charger une liste txt en array + ## Input : $file + ## Output : elements + ## Usage : my ( elements ) = as_conf_list( $conf_file ) ; + +=cut +## START of SUB +sub as_conf_list { + ## Retrieve Values + my $self = shift ; + my ( $file ) = @_ ; + + my @elements = () ; + if ( !defined $file ) { croak "Can't create object with an none defined file\n" ; } + + if (-e $file) { + open (CFG, "<$file") or die "Can't open $file\n" ; + while (<CFG>) { + chomp $_ ; + if ( $_ =~ /^#(.*)/) { next ; } + elsif ($_ =~/^(.*)/) { if (defined $1) { push (@elements, $1) ; } } + } + } + else { + croak "Can't create object with an none existing file\n" ; + } + return(\@elements) ; +} +## END of SUB + +=head2 METHOD get_value_from_conf + + ## Description : permet de retourner une valeur du hash de conf a partir d'une key + ## Input : $oConf, $Key + ## Ouput : $Value + ## Usage : my ( $Value ) = get_value_from_conf( $oConf, $Key ) ; + +=cut +## START of SUB +sub get_value_from_conf { + ## Retrieve Values + my $self = shift ; + my ( $oConf, $Key ) = @_ ; + + my $Value = undef ; + + if ( defined $oConf ) { + if ( defined $oConf->{$Key} ) { + $Value = $oConf->{$Key} ; + } + } + else { + croak "Can't manage value with undefined object\n" ; + } + return($Value) ; +} +## END of SUB + +=head2 METHOD get_value_from_conf + + ## Description : permet de retourner une valeur du hash de conf a partir d'une key + ## Input : $oConf, $Key + ## Ouput : $Value + ## Usage : my ( $Value ) = get_value_from_conf( $oConf, $Key ) ; + +=cut +## START of SUB +sub split_value_from_conf { + ## Retrieve Values + my $self = shift ; + my ( $oConf, $Key, $sep ) = @_ ; + + my $value = undef ; + my @values = () ; + + if ( defined $oConf ) { + if ( defined $oConf->{$Key} ) { + $value = $oConf->{$Key} ; + @values = split ( /$sep/, $value) ; + } + } + else { + croak "Can't manage value with undefined object\n" ; + } + return(\@values) ; +} +## END of SUB + + +=head2 METHOD check_path_and_file + + ## Description : permet de verifier les path et la presence des exe decrits dans le file conf. Bloque le script en cas de probleme + ## Input : $oConfs + ## Ouput : NA + ## Usage : &get_value_from_conf( $oConf ) ; + +=cut +## START of SUB +sub check_path_and_file { + + my $self = shift ; + my ( $oConfs ) = @_ ; + + foreach my $conf ( keys %{ $oConfs } ) { + if ( $conf =~ /^FILE/ ) { + if ( -e $oConfs->{$conf} ) { + if ( -s $oConfs->{$conf} ) { next ; } + else { carp "[Warning] : The size of file $oConfs->{$conf} is null\n" ; } + } + else { + carp "[Warning] : The file $oConfs->{$conf} doesn't exist\n" ; + } + } + elsif ( $conf =~ /^PATH/ ) { + if ( -d $oConfs->{$conf} ) { next ; } + else { carp "[Warning] : The dir $oConfs->{$conf} doesn't exist\n" ; } + } + else { next ; } + } + return ; +} +## END of SUB + +1 ; + + +__END__ + +=head1 SUPPORT + +You can find documentation for this module with the perldoc command. + + perldoc conf.pm + + +=head1 Exports + +=over 4 + +=item :ALL is as_conf get_value_from_conf + +=back + +=head1 AUTHOR + +Franck Giacomoni E<lt>franck.giacomoni@clermont.inra.frE<gt> + +=head1 LICENSE + +This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself. + +=head1 VERSION + +version 1 : 10 / 02 / 2013 + +version 2 : 15 / 12 / 2015 + +=cut \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/lib/csv.pm Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,282 @@ +package lib::csv ; + +use strict; +use warnings ; +use Exporter ; +use Carp ; + +use Text::CSV ; + +use Data::Dumper ; + +use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS); + +our $VERSION = "1.0"; +our @ISA = qw(Exporter); +our @EXPORT = qw( get_csv_object get_value_from_csv ); +our %EXPORT_TAGS = ( ALL => [qw( get_csv_object get_value_from_csv )] ); + +=head1 NAME + +My::Module - An example module + +=head1 SYNOPSIS + + use My::Module; + my $object = My::Module->new(); + print $object->as_string; + +=head1 DESCRIPTION + +This module does not really exist, it +was made for the sole purpose of +demonstrating how POD works. + +=head1 METHODS + +Methods are : + +=head2 METHOD new + + ## Description : new + ## Input : $self + ## Ouput : bless $self ; + ## Usage : new() ; + +=cut + +sub new { + ## Variables + my $self={}; + bless($self) ; + return $self ; +} +### END of SUB + +=head2 METHOD get_csv_object + + ## Description : builds a csv object and etablishes format + ## Input : $separator + ## Output : $csv + ## Usage : my ( $csv ) = get_csv_object( $separator ) ; + +=cut +## START of SUB +sub get_csv_object { + ## Retrieve Values + my $self = shift ; + my ( $separator ) = @_ ; + +# my $csv = Text::CSV->new({'sep_char' => "$separator"}); + my $csv = Text::CSV->new ( {'sep_char' => "$separator", binary => 1, eol=> "\n", allow_loose_quotes => 1 } ) # should set binary attribute. + or die "Cannot use CSV: ".Text::CSV->error_diag (); + + return($csv) ; +} +## END of SUB + +=head2 METHOD get_value_from_csv + + ## Description : extract a targeted column in a csv file + ## Input : $csv, $file, $column, $is_header + ## Output : $value + ## Usage : my ( $value ) = get_value_from_csv( $csv, $file, $column, $is_header ) ; + +=cut +## START of SUB +sub get_value_from_csv { + ## Retrieve Values + my $self = shift ; + my ( $csv, $file, $column, $is_header ) = @_ ; + + my @value = () ; + + ## Adapte the number of the colunm : (nb of column to position in array) + $column = $column - 1 ; + + open (CSV, "<", $file) or die $! ; + + my $line = 0 ; + + while (<CSV>) { + $line++ ; + chomp $_ ; + # file has a header + if ( defined $is_header ) { if ($line == 1) { next ; } } + # parsing the targeted column + if ( $csv->parse($_) ) { + my @columns = $csv->fields(); + push ( @value, $columns[$column] ) ; + } + else { + my $err = $csv->error_input; + die "Failed to parse line: $err"; + } + } + close CSV; + return(\@value) ; +} +## END of SUB + +=head2 METHOD get_value_from_csv_multi_header + + ## Description : extract a targeted column in a csv file + ## Input : $csv, $file, $column, $is_header, $nb_header + ## Output : $value + ## Usage : my ( $value ) = get_value_from_csv_multi_header( $csv, $file, $column, $is_header, $nb_header ) ; + +=cut +## START of SUB +sub get_value_from_csv_multi_header { + ## Retrieve Values + my $self = shift ; + my ( $csv, $file, $column, $is_header, $nb_header ) = @_ ; + + my @value = () ; + + ## Adapte the number of the colunm : (nb of column to position in array) + $column = $column - 1 ; + + open (CSV, "<", $file) or die $! ; + + my $line = 0 ; + + while (<CSV>) { + $line++ ; + chomp $_ ; + # file has a header + if ( defined $is_header and $is_header eq 'yes') { if ($line <= $nb_header) { next ; } } + # parsing the targeted column + if ( $csv->parse($_) ) { + my @columns = $csv->fields(); + push ( @value, $columns[$column] ) ; + } + else { + my $err = $csv->error_input; + die "Failed to parse line: $err"; + } + } + close CSV; + return(\@value) ; +} +## END of SUB + +=head2 METHOD parse_csv_object + + ## Description : parse_all csv object and return a array of rows + ## Input : $csv, $file + ## Output : $csv_matrix + ## Usage : my ( $csv_matrix ) = parse_csv_object( $csv, $file ) ; + +=cut +## START of SUB +sub parse_csv_object { + ## Retrieve Values + my $self = shift ; + my ( $csv, $file ) = @_ ; + + my @csv_matrix = () ; + + open my $fh, "<:encoding(utf8)", $$file or die "Can't open csv file $$file: $!"; + + while ( my $row = $csv->getline( $fh ) ) { + push @csv_matrix, $row; + } + $csv->eof or $csv->error_diag(); + close $fh; + + return(\@csv_matrix) ; +} +## END of SUB + +=head2 METHOD parse_allcsv_object + + ## Description : parse_all csv object and return a array of rows with or without header + ## Input : $csv, $file, $keep_header + ## Output : $csv_matrix + ## Usage : my ( $csv_matrix ) = parse_csv_object( $csv, $file, $keep_header ) ; + +=cut +## START of SUB +sub parse_allcsv_object { + ## Retrieve Values + my $self = shift ; + my ( $csv, $file, $keep_header ) = @_ ; + + my @csv_matrix = () ; + my $line = 1 ; + + open my $fh, "<:encoding(utf8)", $$file or die "Can't open csv file $$file: $!"; + + while ( my $row = $csv->getline( $fh ) ) { + if ( ( $keep_header eq 'n' ) and ($line == 1) ) { } + else { push @csv_matrix, $row; } + $line ++ ; + } + my $status = $csv->eof or $csv->error_diag(); + close $fh; + + return(\@csv_matrix, $status) ; +} +## END of SUB + + +=head2 METHOD write_csv_from_arrays + + ## Description : write a csv file from list of rows + ## Input : $csv, $file_name, $rows + ## Output : $csv_file + ## Usage : my ( $csv_file ) = write_csv_from_arrays( $csv, $file_name, $rows ) ; + +=cut +## START of SUB +sub write_csv_from_arrays { + ## Retrieve Values + my $self = shift ; + my ( $csv, $file_name, $rows ) = @_ ; + + my $fh = undef ; + $csv->eol ("\n"); ## end-of-line string to add to rows + open $fh, ">:encoding(utf8)", "$file_name" or die "$file_name: $!"; + + my $status = $csv->print ($fh, $_) for @{$rows}; + close $fh or die "$file_name: $!"; + + return(\$file_name) ; +} +## END of SUB + +1 ; + + +__END__ + +=head1 SUPPORT + +You can find documentation for this module with the perldoc command. + + perldoc csv.pm + +=head1 Exports + +=over 4 + +=item :ALL is get_csv_object, get_value_from_csv + +=back + +=head1 AUTHOR + +Franck Giacomoni E<lt>franck.giacomoni@clermont.inra.frE<gt> + +=head1 LICENSE + +This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself. + +=head1 VERSION + +version 1 : 23 / 10 / 2013 + +version 2 : ?? + +=cut \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/lib/json.pm Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,152 @@ +package lib::json ; + +use strict; +use warnings ; +use Exporter ; +use Carp ; + +use Data::Dumper ; + +## dedicate lib +use JSON qw( ); + +use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS); + +our $VERSION = "1.0"; +our @ISA = qw(Exporter); +our @EXPORT = qw(decode_json_file); +our %EXPORT_TAGS = ( ALL => [qw(decode_json_file)] ); + +=head1 NAME + +My::Module - An example module + +=head1 SYNOPSIS + + use My::Module; + my $object = My::Module->new(); + print $object->as_string; + +=head1 DESCRIPTION + +This module does not really exist, it +was made for the sole purpose of +demonstrating how POD works. + +=head1 METHODS + +Methods are : + +=head2 METHOD new + + ## Description : new + ## Input : $self + ## Ouput : bless $self ; + ## Usage : new() ; + +=cut + +sub new { + ## Variables + my $self={}; + bless($self) ; + return $self ; +} +### END of SUB + +=head2 METHOD decode_json_file + + ## Description : decode a json file and return a json perl object + ## Input : $ref_file + ## Output : $ojson + ## Usage : my ( $ojson ) = decode_json_file( $file ) ; + +=cut +## START of SUB +sub decode_json_file { + ## Retrieve Values + my $self = shift ; + my ( $ref_file ) = @_ ; + + my $ojson = undef ; + + if ( ( defined $ref_file ) and ( -e $$ref_file ) ) { + my $filename = $$ref_file ; + my $json_text = do { + open( my $json_fh, "<:encoding(UTF-8)", $filename) or die("Can't open \$filename\": $!\n"); + local $/; + <$json_fh> + }; + + my $json = JSON->new; + $ojson = $json->decode($json_text); + } + else { + croak "Can't decode any file : it doesn't exist or defined\n" ; + } + return(\$ojson) ; +} +## END of SUB + +=head2 METHOD decode_json_stdout + + ## Description : decode a perl unicode string and return a json perl object + ## Input : $stdout + ## Output : $perl_scalar + ## Usage : my ( $perl_scalar ) = decode_json_stdout( $stdout ) ; + +=cut +## START of SUB +sub decode_json_stdout { + ## Retrieve Values + my $self = shift ; + my ( $stdout ) = @_ ; + + my $perl_scalar = undef ; + if ( defined $stdout ) { + my $string = $$stdout ; +# $string =~ s/\\/\\\\/g ; ## bug patched : jsons are clean now + + $perl_scalar = JSON->new->decode($string) ; + } + else { + croak "Can't decode any string : it doesn't defined\n" ; + } + return(\$perl_scalar) ; +} +## END of SUB + +1 ; + + +__END__ + +=head1 SUPPORT + +You can find documentation for this module with the perldoc command. + + perldoc XXX.pm + +=head1 Exports + +=over 4 + +=item :ALL is ... + +=back + +=head1 AUTHOR + +Franck Giacomoni E<lt>franck.giacomoni@clermont.inra.frE<gt> + +=head1 LICENSE + +This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself. + +=head1 VERSION + +version 1 : xx / xx / 201x + +version 2 : ?? + +=cut \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/out.tmpl Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,151 @@ +<?xml version="1.0" encoding="UTF-8" ?> +<!DOCTYPE html> +<html lang="en"> + <head> + <meta charset="utf-8"> + <meta name="viewport" content="width=device-width, initial-scale=1.0"> + <meta name="description" content=""> + <meta name="author" content="INRA de Clermont-Ferrand, UNH, MetaboHUB-PFEM"> + + <title>W4M bih4pforest queries - All results</title> + + <link rel="stylesheet" href="css.php" media="all"> + <link rel="stylesheet" href="<TMPL_VAR NAME=CSS_GALAXY_PATH>/simplePagination.css"/> + + <!-- JavaScript --> + <script src="https://ajax.googleapis.com/ajax/libs/jquery/1.7.2/jquery.min.js"></script> + <script src="<TMPL_VAR NAME=JS_GALAXY_PATH>/jquery.simplePagination.js"></script> + <style> + + body {padding-top: 70px} + div.lm-table-warning {font-size: 1.4em;font-weight: bold;padding-right: 25px;color: #21536a;margin-left: 3px;} + tr.green td {background-color: #eaf2d3; color: black;} + tr.blank td {background-color: #9999CC; color: black;} + table {font-family:\"Trebuchet MS\", Arial, Helvetica, sans-serif;width:100%;border-collapse:collapse;} + table.detail, table.detail tr.parent, table.detail td, table.detail th, table.detail tr.category {border-collapse:collapse;border:1px solid #98bf21;} + table.detail th {font-size: 1.2em;text-align: center;padding-top: 5px;padding-bottom: 10px;background-color: #a7c942;color: #ffffff;} + td.center-align {text-align:center;} + footer {margin: 50px 0;} + + </style> + <script> + function test(pageNumber) + { + var page="#page-id-"+pageNumber; + $('.select').hide() + $(page).show() + + } + </script> + </head> + <body> + <div class="container"> + <div class="lm-table-warning">Results of bank_inhouse/PeakForest queries:</div> + <div class="lm-table-warning"><TMPL_VAR NAME=CONDITIONS></div> + <div class="lm-table-warning">[Notes: Exp. = experimental, Frag. = fragment, Cpd. = compound, Sp. = spectra, Res. = resolution]</div> + <div id="detail_table_source" style="display:none"></div> + <p> + <div id="choose"> + </div> + <p> + + <div id="ms_search_0" class="ms-search-table"></div> + <!-- HeadRows--> + <table id="detail_table" class="detail"> + <col style="width:relative_length;"><!-- Mass (m/z)--> + <col style="width:relative_length;"><!-- ENTRY_FRAG_MZ--> + <col style="width:relative_length;"><!-- Delta Mass Mmu--> + <col style="width:relative_length;"><!-- ENTRY_ATTRIBUTION--> + <col style="width:relative_length;"><!-- ENTRY_ENTRY_ID--> + <col style="width:relative_length;"><!-- ENTRY_CPDNAME --> + <col style="width:relative_length;"><!-- ENTRY_CPD_MZ --> + <col style="width:relative_length;"><!-- ENTRY_FORMULA --> + <col style="width:relative_length;"><!-- ENTRY_CHEBI --> + <col style="width:relative_length;"><!-- ENTRY_HMDB --> + <col style="width:relative_length;"><!-- ENTRY_SPECTRA_ID--> + <col style="width:relative_length;"><!-- ENTRY_SP_NAME--> + <col style="width:relative_length;"><!-- ENTRY_SP_TYPE--> + <col style="width:relative_length;"><!-- ENTRY_SP_RESOLUTION--> + <col style="width:relative_length;"><!-- ENTRY_SP_QUALITY--> + <thead> + <th>Exp. m/z (Da)</th> + <th>Matched Frag. m/z (Da)</th> + <th>Delta Mmu</th> + <th>Frag. Attribution</th> + <th>Cpd. ID</th> + <th>Cpd. name</th> + <th>Cpd. MW (Da)</th> + <th>Cpd. formula</th> + <th>ChEBI-ID</th> + <th>HMDB-ID</th> + <th>Sp. ID</th> + <th>Sp. name</th> + <th>Sp. type</th> + <th>Sp. res</th> + <th>Sp. quality</th> + </thead> + <TMPL_LOOP NAME=PAGES> + <tbody class="select" id="page-id-<TMPL_VAR NAME=PAGE_NB>"> + <TMPL_LOOP NAME=MASSES> + <tr class="<TMPL_VAR NAME=MZ_COLOR>"> + <td id="<TMPL_VAR NAME=MASSES_NB>" class="center-align" ><TMPL_VAR NAME=MASSES_MZ_QUERY></td> + <td class="center-align" colspan="16"></td> + </tr> + <TMPL_LOOP NAME=ENTRIES> + <tr class="<TMPL_VAR NAME=ENTRY_COLOR>"> + <td class="center-align" colspan="1"></td> + <td class="center-align"><TMPL_VAR NAME=ENTRY_FRAG_MZ></td> + <td class="center-align"><TMPL_VAR NAME=ENTRY_MZ_DELTA></td> + <td class="center-align"><TMPL_VAR NAME=ENTRY_ATTRIBUTION></td> + <td class="center-align"><a href="<TMPL_VAR NAME=ENTRY_ENTRY_ID2>" target="_blank" class="btn"><TMPL_VAR NAME=ENTRY_ENTRY_ID></a></td> + + <td class="center-align"><TMPL_VAR NAME=ENTRY_CPDNAME></td> + <td class="center-align"><TMPL_VAR NAME=ENTRY_CPD_MZ></td> + <td class="center-align"><TMPL_VAR NAME=ENTRY_FORMULA></td> + <td class="center-align"><a href="<TMPL_VAR NAME=ENTRY_CHEBI_ID2>" target="_blank" class="btn"><TMPL_VAR NAME=ENTRY_CHEBI_ID></a></td> + <td class="center-align"><a href="<TMPL_VAR NAME=ENTRY_HMDB_ID2>" target="_blank" class="btn"><TMPL_VAR NAME=ENTRY_HMDB_ID></a></td> + + <td class="center-align"><a href="<TMPL_VAR NAME=ENTRY_SPECTRA_ID2>" target="_blank" class="btn"><TMPL_VAR NAME=ENTRY_SPECTRA_ID></a></td> + <td class="center-align"><TMPL_VAR NAME=ENTRY_SP_NAME></td> + <td class="center-align"><TMPL_VAR NAME=ENTRY_SP_TYPE></td> + <td class="center-align"><TMPL_VAR NAME=ENTRY_SP_RESOLUTION></td> + <td class="center-align"><TMPL_VAR NAME=ENTRY_SP_QUALITY></td> + </tr> + </TMPL_LOOP> + </TMPL_LOOP> + </tbody> + </TMPL_LOOP> + </table> + </div> + + <div class="container"> + <hr> + <footer> + <div class="row"> + <div class="col-lg-12"> + <p> + <a href="http://jigsaw.w3.org/css-validator/check/referer" target="_blank"> + <img style="border:0;width:88px;height:31px" + src="http://jigsaw.w3.org/css-validator/images/vcss-blue" + alt="Valid CSS!" /> + </a> + </p> + <p>Copyright © INRA, MTH-PFEM F. Giacomoni 2019 - Jquery Pluggin by <a href="http://flaviusmatis.github.com/" target="_blank">Flavius Matis</a></p> + </div> + </div> + </footer> + </div> + <script language="javascript"> + $(function() { + $('#choose').pagination({ + items: <TMPL_VAR NAME=PAGES_NB>, + itemsOnPage: 1, + currentPage: 1, + onInit: function () { test(1); }, + cssStyle: 'light-theme', + onPageClick: function(pageNumber){test(pageNumber)} + }).pagination('redraw'); + }); + </script> + </body> +</html> \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/in_test01.tabular Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,2 @@ +id name masses +001217 Picolinic Acid 122.02
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/in_test01bis.tabular Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,1 @@ +001217 Picolinic Acid 122.02
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/in_test02.tabular Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,101 @@ +name namecustom mz mzmin mzmax rt rtmin rtmax rtmed npeaks Blancs NetCDF isotopes adduct pcgroup fold tstat pvalue norm.b1 norm.b2 CV.samp CV.pool CV.ind sample_mean sample_sd sample_CV pool_mean pool_sd pool_CV poolCV_over_sampleCV poolDil_correl poolDil_pval minpool maxpool diffpool pval.BH.status.sans.cofact_status pval.BH.status.cofact.gpeIMC_status pval.BH.status.cofact.gpeIMC_gpeIMC pval.BH.status.cofact.gpeIMC.inter_status pval.BH.status.cofact.gpeIMC.inter_gpeIMC pval.BH.status.cofact.gpeIMC.inter_status:gpeIMC pval.BH.gpeIMC.cofact.status_gpeIMC pval.BH.gpeIMC.cofact.status_status pval.BH.gpeIMC.cofact.status.inter_gpeIMC pval.BH.gpeIMC.cofact.status.inter_status pval.BH.gpeIMC.cofact.status.inter_gpeIMC:status GP001_T1_C18neg GP002_T1_C18neg GP003_T1_C18neg GP004_T1_C18neg GP005_T1_C18neg GP006_T1_C18neg GP007_T1_C18neg GP008_T1_C18neg GP009_T1_C18neg GP010_T1_C18neg GP011_T1_C18neg GP012_T1_C18neg GP013_T1_C18neg GP014_T1_C18neg GP015_T1_C18neg GP016_T1_C18neg GP017_T1_C18neg GP018_T1_C18neg GP019_T1_C18neg GP020_T1_C18neg GP021_T1_C18neg GP022_T1_C18neg GP023_T1_C18neg GP024_T1_C18neg GP025_T1_C18neg GP026_T1_C18neg GP027_T1_C18neg GP028_T1_C18neg GP029_T1_C18neg GP030_T1_C18neg GP031_T1_C18neg GP032_T1_C18neg GP033_T1_C18neg GP034_T1_C18neg GP035_T1_C18neg GP036_T1_C18neg GP037_T1_C18neg GP038_T1_C18neg GP039_T1_C18neg GP040_T1_C18neg GP041_T1_C18neg GP042_T1_C18neg GP043_T1_C18neg GP044_T1_C18neg GP045_T1_C18neg GP046_T1_C18neg GP047_T1_C18neg GP048_T1_C18neg GP049_T1_C18neg GP050_T1_C18neg GP051_T1_C18neg GP052_T1_C18neg GP053_T1_C18neg GP054_T1_C18neg GP055_T1_C18neg GP056_T1_C18neg GP057_T1_C18neg GP058_T1_C18neg GP059_T1_C18neg GP060_T1_C18neg GP061_T1_C18neg GP062_T1_C18neg GP063_T1_C18neg GP064_T1_C18neg GP065_T1_C18neg GP066_T1_C18neg GP067_T1_C18neg GP068_T1_C18neg GP069_T1_C18neg GP070_T1_C18neg GP071_T1_C18neg GP072_T1_C18neg GP073_T1_C18neg GP074_T1_C18neg GP075_T1_C18neg GP076_T1_C18neg GP077_T1_C18neg GP078_T1_C18neg GP079_T1_C18neg GP080_T1_C18neg GP081_T1_C18neg GP082_T1_C18neg GP083_T1_C18neg GP084_T1_C18neg GP085_T1_C18neg GP086_T1_C18neg GP087_T1_C18neg GP088_T1_C18neg GP089_T1_C18neg GP090_T1_C18neg GP091_T1_C18neg GP092_T1_C18neg GP093_T1_C18neg GP094_T1_C18neg GP095_T1_C18neg GP096_T1_C18neg GP097_T1_C18neg GP098_T1_C18neg GP099_T1_C18neg GP100_T1_C18neg GP101_T1_C18neg GP102_T1_C18neg GP103_T1_C18neg GP104_T1_C18neg GP105_T1_C18neg GP106_T1_C18neg GP107_T1_C18neg GP108_T1_C18neg GP109_T1_C18neg GP110_T1_C18neg GP111_T1_C18neg GP112_T1_C18neg GP113_T1_C18neg GP114_T1_C18neg GP115_T1_C18neg GP116_T1_C18neg GP117_T1_C18neg GP118_T1_C18neg GP119_T1_C18neg GP120_T1_C18neg GP121_T1_C18neg GP122_T1_C18neg GP123_T1_C18neg 'BiH_2018Mars23_C18Neg_BW_6-4_Comb_DM_VM_AnovaT1.txt_(DELTA_mass(0.005Da)#MASS_Result#DELTA_RT(0.2)#RT_Result#names#M#composition M-H#Masse [M-H]- Th##Masse exp#Tr#Delta Neg ppm' +M45T49 M44.9981T0.82 44.99805094 44.99782941 44.99831364 0.823043737 0.803148718 1.012386919 0 321 0 319 '[M-H]-' 46.0035 16 4.572152893 51.77661523 1.33E-15 1 1 0.137636624 0.119086233 1 2862.129963 393.9339042 0.137636624 2874.934366 342.3651039 0.119086233 0.865221988 0.820442296 "9.15E-07" 2142.517968 3922.653719 1780.135751 0.870450776 0.872776752 0.864302739 0.863835953 0.860184011 0.469730133 0.906045885 0.640122634 0.90300562 0.623755363 0.469730133 3312.842547 2315.145125 2209.551608 3029.9656 2356.716158 2732.511712 2673.801201 2574.397706 2531.779767 3056.284589 2159.385171 3398.75192 3654.53852 2752.946548 3033.964432 3229.043828 2027.496626 2691.313709 2670.554606 2649.418418 2794.199676 2115.653392 2500.623626 2622.303816 2415.884279 2739.904966 3626.933984 2551.131353 3014.942516 2575.157235 3030.890832 3264.19169 2394.123376 2952.397493 3200.140033 3217.342811 2825.014137 3057.487385 2724.052462 3467.911958 3067.476066 2646.397111 3173.064869 3135.03866 2701.632921 3107.956898 3117.198107 2748.475284 2685.986855 3008.414164 2884.233742 2469.071033 2886.644352 3086.894542 2613.352535 3521.660036 2439.757536 2722.900301 2094.572883 2262.70212 3517.671061 2760.854938 3866.190061 2636.692884 2644.513247 2478.422548 3106.88111 2707.327209 3579.880674 3252.80236 3381.878351 3103.35966 2370.825046 2916.229303 2494.415535 2587.80619 2533.667097 2968.641183 2832.19156 2775.037537 3333.119163 2834.181106 3118.451087 3173.902699 2945.299149 2560.996294 3060.898513 2506.395786 3169.036174 3164.507886 2589.375343 2459.448343 2910.359684 3300.07033 2906.106031 2748.18077 3186.160215 3604.599947 2372.778382 2630.116491 2646.022336 2907.705448 2714.602611 3151.780325 1992.747397 3064.985156 3155.174922 2676.065352 2849.372262 2900.548442 2864.056215 2859.042055 2485.234675 2142.656254 3465.98803 2910.097019 2391.732974 3384.899182 3484.3403 2852.475534 2553.859249 2534.000636 2791.453732 No_result_found_in_bank_inhouse +M79T56_1 M78.9187T0.93_1 78.91872652 78.91841749 78.91899069 0.925566005 0.891536313 0.945532562 0 187 0 187 836 514.0660129 41.98632341 0 0 0 0.400594149 0.100570673 1 3279.32217 1313.677274 0.400594149 3157.056206 317.5072671 0.100570673 0.251053774 0.917198038 2.94E-10 2461.010549 3814.815442 1353.804892 0.890407325 0.892301966 0.917465563 0.894174936 0.917754402 0.930722271 0.963117998 0.790951905 0.962082819 0.795223727 0.930722271 2380.230158 2325.683411 2155.514337 3552.769698 2234.796587 2190.665415 2891.390187 3385.746559 2278.965885 2498.113555 2140.512125 5096.457439 5628.187832 4878.159179 7054.346506 2684.134251 1898.158228 2494.715917 2735.507128 2967.755324 3088.273307 3852.80926 1717.381254 3129.701363 4240.726516 3626.838042 3355.167814 2276.032319 2951.698267 3427.367628 3791.294873 3809.601936 3230.304607 3620.561064 1547.90284 3599.797771 4289.518345 2212.711938 2326.248145 3550.258907 3419.722942 3395.939474 3570.345238 3634.623564 2446.766128 2415.720826 2206.985558 3128.375458 4899.394418 3688.352429 5694.474683 2347.589871 3265.284094 4028.749606 3711.919835 2446.766128 3293.160915 5514.366949 3261.732761 4226.662036 3127.526049 3613.02869 3998.170861 2772.472847 3788.366697 4405.887456 3218.834455 3500.043081 3369.607777 2496.981954 2395.294906 2414.871417 1960.437295 2962.733742 2809.575472 3355.672581 3520.129412 3620.561064 2363.906842 3931.916914 2216.109577 3875.006473 8918.33072 2113.331018 2891.176189 2839.576203 5235.760609 3292.311506 2674.790746 2455.553898 2183.133041 13818.19494 2745.550294 2327.382231 5054.83637 4351.201334 4176.701338 2935.559485 4029.599015 4010.912005 1822.834488 6475.330779 4199.29846 2086.467576 2790.744537 4164.655138 10757.48535 5164.410205 2324.834002 3650.690559 4082.262409 2271.010737 1921.364455 3237.949293 2904.131331 2668.971159 2903.281921 3683.039909 3658.222933 5294.003469 3152.158926 4449.207345 2835.329155 No_result_found_in_bank_inhouse +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse +M81T55 M80.9167T0.92 80.91668543 80.91632207 80.91694323 0.919515967 0.889752375 0.95420501 0 194 0 194 [M-H]- 81.9252 [2M-3H]3- 122.891 45 483.2838334 44.48581332 0 1 0 0.377288578 0.095774421 1 3404.062863 1284.314038 0.377288578 3291.874794 315.2774008 0.095774421 0.253849244 0.907589047 9.38E-10 2663.956355 3927.719176 1263.762821 0.964270498 0.964678143 0.907981747 0.96483897 0.911249084 0.926511606 0.944941885 0.825522489 0.946402346 0.826905887 0.926511606 3134.415039 2576.419539 1978.109736 3412.954187 2788.28495 2542.20308 3427.284644 3772.735877 2423.26382 2694.689789 2072.707397 5539.131836 5435.326293 5280.468844 6231.736032 2897.195684 1977.505041 2288.827133 3007.759788 3121.436584 2864.892249 3792.437996 1336.676221 2792.719376 5699.0681 4546.822097 3767.630687 1897.390136 2966.966622 3354.96111 4285.082151 3295.400553 2749.145155 3990.346806 1611.203391 3323.479102 4501.076407 2363.703263 1973.366133 4010.632417 4957.140104 3821.235188 4000.402553 3285.190172 3157.917602 2227.564846 2055.217647 2809.556578 5340.029401 3308.597138 4386.276189 2432.864392 3033.730931 4884.81657 3108.21023 2701.9767 4423.647683 5392.783038 3392.399175 3662.974279 3815.279132 4189.319352 3750.613384 3211.164908 3889.304397 3972.689177 3744.934532 2437.648741 3867.181904 2651.905548 2848.580307 2076.961722 2035.269332 4038.930303 3061.033429 3256.592865 3650.822546 3669.983485 2010.594244 3206.910582 2254.792529 3540.449703 8956.795279 2680.225082 3757.467947 3114.166286 4872.904458 3514.92375 3187.340685 2142.594366 1836.647588 13419.84444 2674.135435 2476.017457 4761.44113 3249.097385 5311.211857 3139.692239 4777.607567 4001.618591 2155.827021 6250.750786 3844.832798 2402.093777 3179.975596 4467.041803 10583.42779 4450.875366 2046.330578 3402.132356 4067.986069 2545.736798 1873.604962 3366.873222 2744.039965 2544.869906 2561.954832 4671.249428 4001.362489 4860.827354 2795.091871 4485.760835 3496.204718 No_result_found_in_bank_inhouse +M93T52 M92.9279T0.87 92.92789553 92.92768279 92.92898573 0.865200046 0.720418306 1.150907401 0 333 0 329 33 8622.029346 62.59035528 0 1 1 0.170392047 0.141375068 1 242651.686 41345.91751 0.170392047 223659.7665 31619.91464 0.141375068 0.829704614 0.965760269 2.23E-14 138972.7927 278856.2214 139883.4287 0.546137033 0.548750551 0.917465563 0.537461595 0.916454701 0.507044165 0.859653827 0.678594721 0.854180076 0.671332655 0.507044165 230402.3393 285445.3304 241004.3103 215786.3079 240033.2264 234988.3987 260916.5359 142003.3856 278497.0639 217770.8816 152358.3792 203645.6003 288168.8957 254174.5274 342688.4587 175267.5069 211627.4999 262738.3515 253682.8183 248026.1302 248742.9891 212144.7075 202123.5957 248951.7563 219457.0712 251743.7949 307306.0428 270565.3846 212688.4536 174747.1869 249989.1765 321976.8481 262649.5378 235311.9175 255942.0426 285736.2022 180354.4041 280960.3979 217592.9665 212552.8291 155082.8035 186950.1206 240950.2518 306314.0109 227047.8162 310918.8156 238104.0599 278081.7895 237760.8787 238171.3897 229825.9314 217711.021 229448.566 262070.6178 219976.2113 241865.5595 205642.4669 182710.3393 177051.4024 265435.6041 174964.33 230891.9011 207469.0257 295230.1223 199048.5293 233925.9138 218093.2289 258852.6739 340081.514 266282.8091 248921.7461 289986.6404 196789.3662 268444.1183 237470.6332 234622.0243 216729.4934 203962.7242 166409.7408 234375.3156 211205.6556 199783.0233 243845.2825 283381.7634 258832.0726 232336.0305 336867.2863 302016.3395 301848.4899 265900.8078 248170.2372 237362.8786 213056.3248 230502.626 190208.2541 236845.6204 241609.7968 154480.406 142668.2362 270245.4589 222109.9806 226273.1972 253732.3455 239887.3773 240222.913 263303.6029 262807.6603 298091.7258 274504.5817 252135.9821 238796.2388 219805.2302 220485.2014 251690.3019 309417.2336 233308.8749 205448.2281 278241.3514 223815.2731 222305.7149 219407.9463 203749.9727 315634.805 No_result_found_in_bank_inhouse +M95T52 M94.9249T0.87 94.92494838 94.92474391 94.92651298 0.870230364 0.737536304 1.161579316 0 333 0 330 [M+Cl]- 59.9556 33 7129.239189 66.17998004 0 1 1 0.150188082 0.122162706 1 183606.4155 27575.49547 0.150188082 167751.4249 20492.96808 0.122162706 0.813398137 0.964721923 3.08E-14 111874.6584 214034.4188 102159.7604 0.378300171 0.38275179 0.924153787 0.367975115 0.924071385 0.537439551 0.804954382 0.589366326 0.797263677 0.578321875 0.537439551 182317.3381 198716.8497 185720.5962 170429.3047 174228.8637 193278.6308 189118.923 129663.3029 220007.5075 173133.175 124049.2745 131938.7257 225968.9671 168345.0005 250028.2402 123634.866 172864.2694 213700.7753 210576.3718 185225.7161 181626.882 180642.8535 156258.1335 184788.5203 169166.4095 174798.8173 200979.0171 208241.3237 129179.8884 147837.4178 199907.824 246358.2432 217532.8031 171349.5575 195448.1579 221861.9016 153454.0275 176368.8763 165633.8784 168353.9837 144527.5148 142069.7318 183756.3554 222416.8018 182696.104 208146.8566 184779.5779 211329.6837 163151.2472 166308.7072 180093.9012 173524.1875 177741.7056 200289.9421 152495.8084 176844.9235 168689.8832 163607.4986 148026.2889 209492.4266 128136.742 181150.8636 166973.855 207448.6923 123665.9572 161800.3324 167554.3104 194827.2064 242099.5968 205478.4315 187961.5848 229656.3327 177527.0655 194308.1874 180282.2994 178882.8084 174228.9335 149356.6008 151389.2704 170041.0601 184362.8904 138965.9053 176623.4025 208551.8939 188354.5361 189873.6237 219048.6365 221012.7871 226375.468 191667.05 195005.272 167700.2486 173891.6629 192018.9456 164726.2336 177433.3178 195253.2925 143167.0095 110804.2167 182609.2806 158100.0851 157195.8651 198941.9246 176256.0465 197654.7556 194217.52 189553.8626 205399.4759 216088.5615 197630.4762 165594.4819 171174.9632 175085.7514 194783.2031 221701.3869 166100.7388 177609.1839 203258.5 170049.3262 173373.9467 163424.5783 134794.7772 220839.5246 No_result_found_in_bank_inhouse +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 +M109T54 M108.9018T0.91 108.901834 108.9015097 108.9022518 0.907827918 0.882608587 0.926471216 0 270 0 270 [M-H]- 109.907 [2M-3H]3- 164.856 45 202.7364052 44.28468455 0 1 1 0.15580707 0.102341202 1 5292.411059 824.5950597 0.15580707 4911.648756 502.6640356 0.102341202 0.656845686 0.973587696 1.33E-15 3964.829968 6274.78069 2309.950722 0.000131485 0.000138533 0.907981747 0.00015843 0.905542086 0.996694631 0.111794976 0.041253508 0.119568612 0.046928505 0.996694631 5838.743337 5469.182623 5197.869237 4415.338757 5860.733401 4323.551052 5165.565243 3484.146272 3767.218452 5293.208322 4917.10002 5122.95772 5141.787445 5259.43899 5518.128965 5101.454693 6315.74013 4521.185993 4778.341751 3836.828251 6012.907138 4186.70796 5219.614498 4452.75502 7190.860999 4075.987318 5597.942092 5182.446621 5866.163742 6014.525501 5039.261109 5491.141113 6448.218099 4686.174151 5410.12734 5404.427468 5155.984156 5818.317644 4654.899562 6107.460579 4326.469793 5945.444687 4126.739057 6116.708825 4983.881798 4626.066297 6217.988577 4163.712025 4904.584678 5417.113299 4427.47175 6800.0505 5553.645623 4997.259932 5005.009988 6207.019527 5462.355247 4981.924453 6420.539657 6249.327311 6128.49383 6555.937957 5495.166053 5304.955381 5482.282959 5297.270513 6856.161009 4110.969907 4231.222141 4739.264696 8475.29639 7499.430572 5831.624392 5522.767532 4654.545832 5031.147805 4868.6021 4538.044193 4815.594406 5204.803632 7290.55439 5164.097006 4188.781122 4015.578167 4658.721583 6439.30199 5267.322481 5244.332504 7503.869104 5625.105696 5284.427406 4448.605687 4972.906928 5690.053812 4736.086012 4682.200302 5256.155444 5162.071968 5393.712365 5126.108142 8469.681729 3992.985267 5487.088729 6096.478175 5192.081337 3959.649258 5384.613456 4705.524843 4343.693304 5403.969936 4586.745563 4218.754028 4824.414774 5883.91421 4991.386117 4989.282101 5707.32354 6079.735636 5186.205715 6600.290082 5690.384648 5975.411744 6108.722861 No_result_found_in_bank_inhouse +M111T55 M110.899T0.91 110.899018 110.8984583 110.8993626 0.908387293 0.882608587 0.926481948 0 253 0 253 [M+Cl]- 75.934 45 397.6935431 42.38811899 0 1 1 0.159709618 0.112030049 1 3756.974107 600.0249013 0.159709618 3569.614654 399.9041049 0.112030049 0.701460877 0.968406692 9.32E-15 2742.3692 4714.5825 1972.2133 0.006952268 0.006699686 0.787240672 0.00630681 0.792975851 0.895228214 0.020138886 0.453568585 0.020691996 0.450570565 0.895228214 3774.273789 3808.035832 3493.368562 3167.372646 3911.189279 3071.970042 3302.749088 3210.471747 3512.70336 3600.544812 3086.179949 4214.339391 3429.814358 4086.355651 3553.571348 4392.505592 3732.230242 3130.977881 3524.759156 2370.792624 3395.220034 3254.569664 3846.901093 3287.105699 4534.593341 2646.104138 3880.938378 3718.952716 4115.198369 3961.928378 3597.835353 3739.424696 4767.383718 3834.80286 3371.804528 4278.594742 2845.358841 3944.544917 3368.024435 3790.813051 3223.504976 4357.980743 3734.147526 4445.527867 3197.884478 3634.4365 3638.174181 3283.626589 4109.073099 4513.65945 3918.583436 3920.022433 2865.219236 2656.399669 3494.823343 4154.520572 3987.917793 3634.685532 3892.205306 3403.6808 3674.455657 5280.863463 3985.318601 3999.977266 3910.975417 3737.318269 3685.4327 2902.589591 3201.44769 4101.286646 6552.216703 4326.699518 3582.81409 3206.491829 3363.910046 3873.459454 4096.501128 3860.371314 3911.756947 3963.058869 4723.741682 3539.622538 3037.543668 3215.313923 4315.506885 4834.865791 3716.412905 3942.286488 4823.256402 4057.189507 3860.037924 3150.605826 3937.87307 4343.232659 3943.189119 3479.428384 3540.476098 3157.170808 4614.592108 2995.171853 6201.503845 3027.261537 3914.29652 4641.396272 3384.593477 3514.229832 3304.429601 3141.193399 3849.351594 3772.79041 3594.841224 3037.099858 4007.048526 3514.2922 3689.156353 3352.655115 3981.543497 4343.534689 3933.159668 5103.857338 3933.632768 3678.388192 4162.384385 No_result_found_in_bank_inhouse +M113T55 M112.8963T0.91 112.8963412 112.8954733 112.8970547 0.908404918 0.857207356 0.926481948 0 137 0 137 [3M-2H]2- 75.934 [M-H+Cl]2- 191.841 [M-2H]2- 227.819 45 43.50952723 33.6323776 0 1 1 0.22628706 0.20944969 1 795.0259835 179.9040926 0.22628706 802.3571693 168.0534601 0.20944969 0.925592871 0.9831513 9.90E-18 439.9161727 1244.968316 805.052143 0.447293743 0.437791455 0.715391897 0.435286281 0.695696123 0.843428085 0.105588185 0.902843964 0.098405971 0.901901873 0.843428085 799.0869131 636.644564 716.6493899 560.3486364 801.690367 892.9921782 521.6648381 1066.155298 744.0661659 504.5788918 1184.583223 747.4574669 842.2072533 775.936639 625.1073266 928.0275974 1070.856699 701.9073804 1156.53256 484.2496776 746.9188157 714.1279484 509.9207588 534.3632498 1203.245794 927.1983975 900.4607792 861.7779449 524.8507459 742.1549517 632.142353 828.2091836 562.1178229 887.1747823 833.1777224 795.2389112 724.5839378 724.5857509 665.2427028 777.1305405 825.764389 685.036877 785.4814957 551.7723412 696.3405585 1170.816751 1057.612705 1120.791565 566.3446979 753.7434614 853.3640379 700.3188632 711.5500741 481.8045983 900.8068154 942.0684335 871.7971628 676.7977655 667.6227086 564.8136636 654.6653613 1017.658355 924.2972081 592.9133169 650.1360284 1033.438967 1015.456733 407.0490824 624.1109513 668.2411666 1310.82207 1061.540187 745.072502 861.6001 685.7869146 812.6609383 788.2954313 490.4388541 823.3237186 852.9687789 1153.956539 597.6134982 821.0053788 934.3851373 986.3140089 952.2800776 796.0685632 711.0504299 973.4292399 863.8567328 1043.525474 699.9212216 851.7837919 782.3313266 895.2044199 651.5153025 870.9049421 706.7853693 868.263218 797.6439196 1505.252038 732.2000071 786.2592312 797.8329177 720.5503877 763.7418046 794.831124 700.638376 590.6668457 719.0367311 925.2256512 812.7836172 1155.685055 676.9098076 796.8409927 967.8864738 688.7528914 1212.741628 905.1815164 754.8814637 611.3438106 785.1393054 787.393686 No_result_found_in_bank_inhouse +M113T933 M112.9856T15.55 112.9856013 112.9850225 112.9862194 15.55287659 15.53562865 15.73840108 0 451 0 339 [4][M]- [M+Cl]- 78.0162 [M-H]- 113.993 30 4.858065611 74.09318245 0 1 1 0.07380238 0.04638585 1 22847.42761 1686.194541 0.07380238 22834.59638 1059.202157 0.04638585 0.628514278 0.944593896 4.02E-12 20935.8179 26809.10749 5873.289583 0.154148882 0.154144913 0.828852751 0.158401013 0.82588821 0.964232653 0.278323378 0.714738596 0.281762159 0.719172948 0.964232653 22196.29698 23091.84552 22914.67636 21415.56297 22215.26862 22909.28332 25152.18576 23889.21425 22334.2612 21959.75752 22244.05885 21759.15697 21401.69362 19543.93027 21040.49327 24658.25199 18953.86963 22155.70698 23865.30088 23535.69006 25038.95555 23485.91677 23093.19753 20205.8641 23054.94154 22763.51971 25153.50576 22889.46547 23214.11722 18264.72794 22606.75221 22997.22159 19968.81366 22287.5674 22036.95502 22082.76454 21457.91481 24654.12086 22208.25571 22312.07906 22780.38953 21249.15781 22090.56167 23060.12281 21548.82305 24884.38125 22739.7979 20013.86556 23422.86406 22878.68027 23828.2468 22496.14823 20898.25799 23537.64453 20466.92064 22755.81543 21808.53297 22056.37634 22798.66654 24077.84458 22707.28352 22769.75008 23914.89561 23861.96799 25933.33849 22412.81378 24457.44543 22121.86805 26019.74319 23354.77593 23547.74381 22041.26422 22571.6561 23482.25751 20845.94373 23842.81533 24064.89192 24263.13591 24198.89334 21871.48781 22809.9908 24912.277 23643.02685 23067.07763 21315.40535 21856.72648 25253.63304 22127.29483 23048.98051 20608.21547 21005.64435 24044.37856 19524.69841 21829.4334 24714.34336 23194.78859 23628.86187 24945.9144 20785.72348 25051.48236 21794.82567 22771.98806 23782.18467 18691.17194 20727.26305 24499.98315 22605.22749 23685.30454 22386.66893 21162.61192 24858.41979 24579.06625 23128.80402 24569.48551 22300.42489 22863.50821 20893.02514 23408.91569 21093.19338 21541.90655 22746.87665 25408.83875 24605.50232 No_result_found_in_bank_inhouse +M113T880 M112.9856T14.67 112.9856032 112.9850871 112.9861637 14.67370745 14.65413326 14.69484119 0 339 0 339 [6][M]- [M-H]- 113.991 20 6.711453491 69.11673409 5.55E-15 0 1 0.062071616 0.045154898 1 22940.0073 1423.923322 0.062071616 22859.62147 1032.223885 0.045154898 0.727464522 0.83497518 3.89E-07 20419.1302 25539.8372 5120.707004 0.325371266 0.325194372 0.828852751 0.321388948 0.82588821 0.860152552 0.448077924 0.640122634 0.440657879 0.635701581 0.860152552 23279.70472 23463.59389 24378.27419 21447.02502 20058.34629 22630.73882 22785.04042 21671.47589 22601.78684 23190.36487 24469.68696 21376.90748 22841.74812 23029.71821 23171.37288 23452.24523 22704.46135 21430.66048 22633.85386 21832.25118 23025.31009 22197.74877 22404.37951 25460.23014 23610.93691 25613.90526 21960.58935 23542.40611 24823.74862 22452.32114 21565.3964 22754.42231 20695.82242 22101.18265 23647.279 22757.88235 23198.28942 23887.17531 24236.02087 22939.12742 22293.96167 20833.30236 24850.72137 21686.53508 23569.4031 20817.95932 24304.55167 20393.26016 21529.89592 24470.68694 24133.22467 23438.57157 21285.04313 22451.26561 22309.11964 23176.90852 21463.97252 21316.75688 21031.87199 23249.95559 22458.3872 22833.21618 22274.28672 21132.71986 23080.56 23792.188 24512.22075 24577.63652 22750.5108 21347.34386 22660.85084 21474.06379 21374.97811 24620.20868 22156.21496 23159.25665 24054.31042 23070.99729 21087.5818 23177.38137 20875.13516 22987.88034 25093.6942 22899.21266 21233.12586 22334.35737 25219.71545 22667.38343 23446.9617 21945.43083 21499.98064 25873.54471 22639.04558 21160.02385 20984.27828 24601.51846 23141.60478 21561.59389 22009.60152 23570.72609 23084.49578 22704.46135 21407.56789 22098.06761 23456.22344 22447.41243 25499.68727 23830.49036 21732.26742 21664.03922 22560.15887 22855.02143 21783.46733 23184.52982 22127.0099 21557.08964 21634.37674 21394.1619 24566.21472 21777.21887 22395.02498 22665.36717 23079.39395 No_result_found_in_bank_inhouse +M113T999 M112.9856T16.66 112.9855982 112.9849799 112.9861849 16.65571589 16.51368954 16.86014916 0 343 1 339 [7][M]- [M+Cl]- 78.0162 [M-H]- 113.993 39 3.963456684 63.08492156 6.66E-16 0 1 0.067832661 0.050491773 1 29517.89351 2002.277277 0.067832661 29316.98442 1480.266531 0.050491773 0.744357839 0.922251322 1.50E-10 26418.11175 34309.07704 7890.96529 0.365228928 0.364966989 0.825939361 0.367975115 0.818499383 0.986233118 0.619835123 0.443813322 0.625982701 0.450570565 0.986233118 27800.87091 28393.13677 33222.97046 31441.64954 25479.76082 27113.465 27326.50094 29064.36255 30600.22107 27834.90872 30045.07925 29382.77561 29642.178 27749.18884 28261.05249 29488.22098 29378.44274 27838.66948 31314.05909 29917.48766 28281.56051 30242.89276 28902.69851 32747.22623 30645.44557 31880.79806 32041.62511 27649.5427 31481.23083 27966.28542 29594.06071 29930.33837 27527.12124 26580.35452 30423.89317 29824.10427 29024.19306 28096.23919 30067.8268 29082.70984 30218.98918 29043.64526 32719.53218 31446.13243 29477.35007 29586.98571 29770.11575 30203.19465 27634.75105 31478.24525 29430.86362 31934.20802 29758.24687 30050.50082 28509.35107 32197.3015 27246.49904 28420.9146 28893.1995 27940.93903 27477.17015 29780.00648 29875.86757 30145.73844 29605.50253 28180.86384 31468.35452 30776.99232 31020.17279 26670.36018 29723.6293 28231.86482 28966.96726 32704.69608 26220.33185 27944.28653 30169.70134 33271.43505 29564.24876 27337.3342 26893.55473 30405.89148 32273.46014 29776.15536 27495.24727 29848.38027 30001.05769 29975.49968 28444.70861 29623.73291 28119.35249 29617.66801 25517.10077 28433.00936 30246.6532 27727.67949 28339.91583 30334.3067 24894.57849 29016.70872 31431.75881 28360.68637 27899.77823 28978.85715 29957.05059 28927.85871 30329.93121 29071.60545 29156.29733 28513.00365 29365.60751 26914.66127 28235.69179 28217.03386 29065.11583 30004.52611 25887.56372 27555.77318 31625.61716 30207.28612 28583.92553 30941.4096 29437.81835 No_result_found_in_bank_inhouse +M113T895 M112.9856T14.91 112.9855983 112.9850708 112.9861614 14.91051577 14.89288162 14.9251774 0 306 0 306 68 3.995794529 35.46539681 3.20E-12 1 1 0.169443987 0.061697446 1 14751.87953 2499.617288 0.169443987 14377.85584 887.0769869 0.061697446 0.364117058 0.985234417 2.34E-18 12574.16557 16578.908 4004.74243 0.546137033 0.548659295 0.828852751 0.54588624 0.82588821 0.926511606 0.453678077 0.902843964 0.457006051 0.905553463 0.926511606 11572.27206 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15897.55031 14690.7472 12007.02444 12699.04676 11239.64525 11598.33512 15902.76555 7992.130743 15259.49439 17881.34691 10709.63352 14995.74262 15895.35272 12167.09624 13586.59231 10963.56085 15984.73962 12054.80881 14218.46915 13912.00249 18196.25946 13278.11972 17068.22578 15233.27706 11277.70876 15193.8974 13967.9056 18146.74689 18054.42168 14417.92127 14869.58944 13482.7335 13794.24182 11506.37163 14532.66357 17091.16522 20545.34654 15728.12298 No_result_found_in_bank_inhouse +M113T710 M112.9856T11.83 112.9855783 112.9848021 112.98627 11.82555315 11.17250311 12.11360869 0 181 0 135 138 4.294098433 14.52122256 1.70E-06 0 0 0.390600096 0.187419219 1 3037.312981 1186.374741 0.390600096 2922.564377 547.7447335 0.187419219 0.479823792 0.829195716 5.52E-07 759.449809 3929.700141 3170.250332 0.925709887 0.923406161 0.74917679 0.924732655 0.735276384 0.989742727 0.448077924 0.676135856 0.448648926 0.679778253 0.989742727 3672.307412 2433.079574 2287.910341 2761.940691 3913.250914 3546.660813 4235.36074 3826.012836 600.1212818 3942.01072 3396.533069 4512.413536 2807.91571 4680.17907 1926.906991 3072.505924 462.6079321 3387.905128 3419.871972 1753.341175 551.7027931 3676.876379 3583.212551 628.2329942 3081.768397 3745.410887 2745.602797 269.5690666 2763.817341 3229.726195 2458.10437 2920.078953 2202.042467 3021.229581 3876.768695 1736.133612 2665.075341 3185.627827 3437.005599 3137.738246 3712.890934 3679.337827 3393.600411 1762.017438 2846.466585 639.4263498 3432.436632 3833.682118 3171.247924 4444.462874 4176.036049 3235.971041 5387.954607 2753.272079 2819.419632 3357.048673 2143.564195 3346.682739 2997.730428 3302.58437 3712.890934 3449.570259 2579.754584 2897.071108 3776.162506 3346.682739 1090.840926 185.0431728 4339.854701 3767.113482 3513.5358 4239.19538 2892.277807 1201.638382 3682.587588 3960.152347 3041.789934 4604.376727 3070.588603 3266.155283 3586.347788 3437.755458 4664.915543 3705.221652 3703.147941 548.3536313 3136.736157 1326.785709 485.0820584 522.0045061 3765.97124 3366.814603 4574.67844 3900.788332 476.4541167 2988.104569 926.358106 3264.237962 3671.668545 4433.8034 2358.729333 2665.992379 3780.820383 3460.992677 4165.755873 1265.431457 4212.587787 3973.646506 2366.93202 1307.86687 2655.488739 3920.173884 4009.116934 1332.53767 3252.73404 2984.677844 574.2374565 691.1940003 3101.186508 4669.48451 3140.570797 3191.379788 581.9067381 No_result_found_in_bank_inhouse +M113T49_2 M113.3204T0.81_2 113.3203858 113.3110324 113.3211598 0.81226 0.788866667 0.824040621 0 154 0 154 [M-H]- 114.326 16 68.80805615 66.37298704 0 1 1 0.182195104 0.153855534 1 967.4179161 176.2588083 0.182195104 986.9713375 151.8510021 0.153855534 0.844454819 0.843141647 2.31E-07 634.7497828 1292.626678 657.8768953 0.926177794 0.926077821 0.924186736 0.925399206 0.926604696 0.926511606 0.91677177 0.902843964 0.917891856 0.905553463 0.926511606 930.6415347 664.6647449 1027.024841 665.769665 773.5855407 949.2053433 869.8871203 1126.986884 1106.322906 1163.665418 805.1668056 1223.849619 1054.215814 858.5800763 1133.077033 916.3814761 735.3308619 862.8390411 1402.97373 1307.995885 927.1573346 891.1093914 914.8924628 1223.442714 774.0399593 1210.148664 696.7834253 1085.568231 951.1325384 786.6573269 1007.686039 983.2648771 648.748857 915.7303103 1071.823015 1048.922007 849.5364168 863.1809023 1052.73993 624.875807 1065.182974 841.4572383 838.853191 838.4676098 423.7951858 986.6168451 971.3210659 872.9940857 1028.703043 1312.802476 1004.296691 846.1597008 1120.487969 1213.463316 1303.179977 467.274434 1207.362481 1135.215822 884.0541937 1093.24179 1370.570971 868.6122903 760.4247191 846.1108158 867.2129803 1223.602535 790.4120588 1017.919828 754.517277 822.5287284 886.7979462 677.5281348 1143.668883 1213.919897 1081.663496 1260.437536 1106.015202 1113.172442 998.6321697 930.4229279 1041.576953 903.6432413 1055.867102 938.44107 804.4081732 831.0436607 734.023247 1033.489886 1029.751593 1005.850137 937.5966989 1334.54947 760.4722558 964.7470569 1105.96516 926.7411835 1011.835984 1142.182857 1018.184248 882.0864888 798.1994109 1043.827875 1013.205789 777.9451811 798.9572357 602.8470038 1115.595112 728.3370704 1012.285816 1093.10832 918.3897246 864.6151783 731.8187038 977.553506 940.3177248 926.4743977 564.3646883 897.8269947 1182.389057 1126.972586 1115.194261 1109.164321 1063.406892 No_result_found_in_bank_inhouse +M114T880 M113.989T14.67 113.9890306 113.9884171 113.989872 14.67477325 14.45343343 14.91299851 0 243 0 237 [6][M+1]- 20 4.538613502 40.33103441 4.44E-16 1 1 0.204742162 0.178270484 1 663.7644383 135.9005659 0.204742162 663.5612016 118.2933763 0.178270484 0.870707245 0.742804674 3.22E-05 479.5236377 894.042373 414.5187353 0.888259732 0.889581501 0.907981747 0.88314174 0.905542086 0.469730133 0.906045885 0.783330869 0.904148879 0.779542973 0.469730133 734.5933296 477.1442735 986.3966498 742.3498083 659.5840203 720.1714214 677.6818476 690.8385242 524.3906533 941.910513 862.063904 626.8470433 367.3564746 482.8167828 680.0386903 726.8305667 573.7792953 903.943138 631.414923 710.8774384 645.4792167 575.9281759 717.2430846 661.2770421 561.3271383 605.4950149 483.2090115 715.524559 634.4716209 519.2889963 966.2020999 820.9321203 550.856317 569.7429527 511.8667599 918.2355615 581.5349393 677.5067349 465.2731076 462.0082985 493.582764 531.9034821 840.8831862 524.5394669 691.6345438 629.6873588 1091.416579 475.2847163 729.8020004 623.1764518 855.9231976 613.3856471 462.1087632 701.7323963 475.8862119 745.1706844 441.8888591 732.0452729 628.2791532 606.1523279 844.036894 574.1845306 643.8228357 769.1651732 815.0280271 631.4824085 741.046775 641.7002829 539.0607563 872.8887537 636.8742068 732.1145851 639.165042 658.9107836 773.1451908 743.3043382 830.5992063 733.3824297 478.3841084 695.1233661 581.2289549 1140.325872 552.0900349 579.4547907 833.1180312 966.4806167 579.7657383 599.7421112 636.8870027 645.0484517 697.0928259 468.4224233 470.2655387 640.5483911 643.5273506 730.5303321 469.4481961 1003.848993 692.145964 657.1966937 581.2255427 461.3348284 924.8723766 717.7057548 551.3164321 691.850733 896.0713072 468.9202843 448.8765848 663.4741358 537.1533618 630.1483445 660.7086429 732.1101136 434.6399737 697.3341163 669.5619866 490.8470878 591.3104823 536.1385548 495.1372354 647.735484 655.7085687 No_result_found_in_bank_inhouse +M115T48 M114.9899T0.81 114.9898693 114.9883535 114.9901075 0.807221181 0.71978687 0.823266667 0 282 0 281 [8][M+2]- 16 173.2926807 133.9012238 0 1 1 0.13165002 0.076104396 1 5614.74499 739.1812896 0.13165002 5528.244955 420.7237451 0.076104396 0.578081161 0.718766245 7.60E-05 4697.195444 6390.957825 1693.762381 0.877620082 0.873050044 0.745030178 0.858558658 0.695696123 0.001665798 0.351900559 0.611067583 0.281755785 0.578321875 0.001665798 6079.2897 5372.49447 6555.26212 5765.276897 5217.225024 4734.410079 5748.67206 5640.438174 5865.992421 5519.060469 5726.53118 5646.254172 5504.635655 5959.80639 5959.589399 5696.9746 5633.72778 6031.152606 6566.247752 5307.391019 5739.449321 6384.374456 6217.545095 6450.412832 5035.843874 6346.896506 5725.837784 5716.454625 6172.318952 5259.468103 5760.021721 6481.094693 6950.128265 5414.983745 5467.424624 6099.975549 6575.51598 5244.64794 6450.508178 4934.520556 5479.076652 6505.273039 6234.873327 5986.638654 5588.92194 4657.768464 5724.40387 5802.784003 4966.445392 6600.880649 5601.077822 5370.701603 353.8149221 5744.407287 6586.273198 6486.526299 5514.905352 5432.780526 5239.099076 5973.129933 6354.639674 5594.659185 5243.308914 5219.604613 5544.216784 6338.652387 6113.67746 5521.13413 5138.95077 5009.333435 5711.342414 5896.469582 6061.328211 5317.433817 5407.813091 5240.844671 6089.170834 5903.073048 4808.360643 5970.875545 6065.723682 5778.870645 5664.014158 5416.532699 6362.093989 6431.747437 5520.01442 5669.497714 5500.011613 6078.192244 6000.000722 5183.23041 6087.380019 5408.747866 6162.142899 6044.801525 5300.301127 5485.131024 5783.643379 5033.162303 5781.693445 5046.811336 5045.843119 5341.120927 5835.718529 6095.275324 6105.263265 5168.444949 6417.711691 5698.116728 5294.907707 5619.577443 5893.844326 6338.382829 5205.307591 5445.590573 6375.77232 5089.429138 5694.06146 6193.647713 5675.871368 5177.916406 5993.970635 No_result_found_in_bank_inhouse +M118T53 M118.051T0.89 118.0509562 118.0505226 118.0512701 0.891305113 0.874688815 0.908415223 0 90 0 90 45 Inf 63.47641991 0 1 1 0.273463548 0.117146736 1 4108.514059 1123.528832 0.273463548 3967.576794 464.7886726 0.117146736 0.428381542 0.929588629 5.23E-11 3032.150087 5339.159064 2307.008976 0.811312041 0.815129461 0.954070595 0.8171566 0.953727557 0.970545484 0.963117998 0.825522489 0.962082819 0.826905887 0.970545484 3766.03909 3741.227931 4123.481422 4883.037556 6399.143673 3927.715801 3816.65122 4152.77907 2347.627467 4086.381443 3882.788047 4076.319078 4808.534257 6360.43627 2338.898036 2919.520299 4360.845187 4308.764896 5385.635527 3611.974939 3057.24545 4673.013423 3953.814577 3365.336883 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2663.08017 3503.994189 2741.906073 3236.649123 4476.980637 4975.584039 3648.978383 2536.519543 3310.119992 4427.53937 2952.740469 3295.59489 4372.060385 5368.571215 7161.839869 0.0000562#118.0509#0.031305113#0.86#L-Threonine#C4H9NO3#C4H8NO3#118.05096##118.0509#0.86#-0.508255079|0.0000438#118.051#0.031305113#0.86#L-allo-Threonine#C4H9NO3#C4H8NO3#118.05096##118.051#0.86#0.338836719 +M125T56 M124.9914T0.93 124.9913888 124.9906244 124.9918687 0.925745911 0.90685323 1.24551173 0 119 0 118 [3M+2Cl]2- 60.014 48 Inf 25.98387335 0 0 0 0.811098355 0.197790913 1 1657.064148 1344.042004 0.811098355 1572.995608 311.1242367 0.197790913 0.243855645 0.937586124 1.44E-11 836.6892596 2223.565093 1386.875833 0.022979346 0.02248411 0.828852751 0.01528556 0.814503953 0.056792985 0.682015887 0.052835821 0.651421769 0.046960903 0.056792985 1208.502978 2892.092327 1116.472691 1386.508927 4907.172586 1703.771232 1413.62743 1054.461981 1174.752547 1213.996278 1187.549416 1576.574224 881.2776915 1643.117942 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1701.983538 2482.592529 2191.773937 876.709575 1566.936727 1117.683616 1694.083833 2225.80203 1361.079506 1473.34615 1990.339646 1023.231479 1037.39949 1104.363443 1062.993227 937.5839138 1486.143019 1625.061118 843.7402099 2218.123909 1290.845866 1385.298002 1540.742992 1182.430668 996.4495098 No_result_found_in_bank_inhouse +M129T933 M128.9595T15.55 128.9595224 128.958859 128.9602846 15.54994521 15.53558531 15.56247065 0 329 0 329 [M+Cl]- 93.9879 [M-H]- 129.965 30 12.30286205 47.86714792 0 1 1 0.143784803 0.082287233 1 3098.358163 445.496819 0.143784803 3061.84088 251.9504137 0.082287233 0.572294367 0.959370882 1.42E-13 2550.089645 3760.430171 1210.340526 0.197761526 0.194626803 0.81438186 0.199040263 0.814503953 0.970545484 0.254001584 0.766036807 0.257310219 0.767818023 0.970545484 3139.772341 2814.620775 2909.629308 2758.387782 3019.461033 2616.598106 3175.178333 3156.113033 2687.634431 2990.050686 2858.996693 2884.814196 2665.266112 2203.878827 2428.379377 3440.725833 2463.491621 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828.6469935 531.6491627 858.6198341 1099.342336 743.3259958 697.7090706 1642.577074 1086.824251 1597.385624 823.8631092 1067.160184 1049.138178 No_result_found_in_bank_inhouse +M145T56 M144.8697T0.93 144.8697496 144.8690633 144.8704162 0.925749506 0.893092942 0.946515815 0 197 0 197 48 193.8566372 82.8785791 0 0 1 0.159010068 0.130820318 1 1325.967135 210.8421248 0.159010068 1282.672954 167.7996839 0.130820318 0.822717199 0.868064677 3.90E-08 928.1412401 1656.064557 727.9233165 0.255210779 0.251115346 0.812332331 0.251081699 0.810685871 0.895228214 0.254001584 0.913996348 0.251138038 0.913037985 0.895228214 1277.989648 1013.78562 1526.871712 1247.373204 2111.974506 1324.408128 1527.993717 1417.075659 964.4986136 1346.104347 1609.964691 1391.890578 1052.125299 1303.978819 1021.11145 1159.588611 1637.485963 1582.261068 1526.871712 1086.389963 1076.513691 1158.486752 1194.041333 1223.67015 1277.002021 1455.762551 1128.207401 1235.521677 1371.769811 1170.890347 1376.752372 1073.047346 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1330.333892 1078.97185 1227.77093 1550.574766 1237.496931 1405.417178 1146.856662 1350.966949 No_result_found_in_bank_inhouse +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 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31101.72912 19396.97698 21960.08828 18566.44571 21649.13421 21143.98928 19114.06787 16823.49326 18931.17615 22461.8975 12409.97907 19799.60447 25918.35959 23575.73968 24977.59569 33243.69702 26928.61025 29947.84859 24481.37317 22259.58823 18735.36181 24109.52302 22828.90899 19980.18648 21774.77947 23550.93103 13805.4817 8696.237224 22651.53562 27781.15591 19301.73065 22622.50798 24611.83772 20337.40426 21697.1715 21433.62416 24971.59485 30230.24422 19152.05099 16913.31733 18751.28509 20385.84949 25796.08414 31233.20306 24916.12732 19646.68217 24196.06246 19291.40932 24128.47292 16371.24107 12963.9683 29458.35471 No_result_found_in_bank_inhouse +M155T50 M155.0654T0.84 155.0653523 155.0638038 155.0664109 0.840116862 0.806613889 0.865575038 0 91 0 91 1131 90.28349635 44.72420566 0 0 0 0.282024141 0.23414954 1 901.6700198 254.2927126 0.282024141 855.0447236 200.2083289 0.23414954 0.830246444 0.921740947 1.61E-10 421.5372401 1264.61172 843.0744803 0.204482745 0.202711405 0.854237012 0.202549963 0.852698807 0.895228214 0.97271443 0.176232132 0.973061143 0.173085475 0.895228214 1250.727282 942.1980485 634.5063843 661.9346141 560.3071373 699.4198616 1225.859801 906.1138679 817.9080932 489.1411145 648.5129121 1049.448252 1153.69144 1094.553478 634.4801752 957.2331237 793.5901175 716.6719199 639.9920302 661.9346141 589.7069422 981.9306293 796.3329405 529.3648364 761.590516 1182.156707 1713.998578 770.7332593 980.2869058 904.1091912 965.4736913 899.0974995 1093.551139 794.5043918 1130.043071 1214.83408 629.4684835 1419.311103 923.4170722 967.30224 620.4474383 1047.443575 765.2476133 751.7537621 1225.127601 1458.402298 629.9350126 934.1793417 307.7178733 587.8783935 898.7316653 1077.929434 1034.044266 835.9501835 1302.037516 749.7049497 842.9665519 1446.374238 874.0390407 820.9151082 462.0779791 1174.842513 609.4217165 1009.354718 1144.670395 794.8543111 552.2216947 786.2759229 950.2167553 1189.470902 1276.326963 782.8262509 1014.36641 1241.584539 682.9629237 1125.471699 885.0175504 746.9621267 1087.537109 1014.36641 649.5152505 1102.572184 1285.469706 1468.425682 935.3026385 664.5503257 1019.378101 1678.916735 569.3281825 903.303037 1255.298654 1169.728854 745.1335781 596.3913179 757.7677922 940.7882845 606.1638801 635.4825136 764.7841606 900.0998378 794.5043918 988.3305496 956.3309481 830.1610907 617.135172 512.1948966 618.0494464 1849.314255 825.9268 1079.757982 825.9268 881.3604531 1040.427207 617.4404233 925.1582966 742.3907551 930.1699883 812.8964014 785.3616485 824.6754447 797.8613262 755.7631155 842.9665519 No_result_found_in_bank_inhouse +M157T54 M156.8777T0.89 156.8777365 156.876989 156.8786427 0.894265278 0.846486813 0.925736478 0 164 0 164 45 94.16963729 34.63931619 0 1 1 0.230598891 0.204586687 1 2495.465557 575.4515899 0.230598891 2235.86738 457.4286993 0.204586687 0.887197184 0.965050304 2.79E-14 613.9166049 3259.997322 2646.080717 0.972569586 0.971929274 0.812332331 0.972361413 0.810685871 0.897437208 0.497794523 0.902843964 0.501632992 0.905553463 0.897437208 2541.604518 2915.305742 2327.146435 1907.271168 3683.390011 1911.161683 2228.225926 1652.740724 2822.357937 2636.247793 1753.639369 2336.356573 2440.33126 1715.641451 3147.1961 878.7227907 3039.039077 3982.61204 2738.696407 1762.631848 2228.550476 2298.59695 1807.133352 2408.403848 2829.716423 2265.390406 2922.284721 2199.010973 2296.729413 1591.694775 2029.79005 3241.249045 2561.05692 2008.208266 2382.400954 3541.975162 1802.139488 2264.685559 2327.135123 2309.286776 959.7672945 1831.745819 2490.989152 2940.058666 2084.078818 2554.533136 2785.146307 2535.918152 2033.543196 2738.317414 2606.83101 1911.954983 2151.564983 3056.483961 2011.465588 2762.932262 2654.035347 2095.085674 2014.649021 3455.254395 1901.603123 2435.465188 2504.67078 2519.10958 2955.692377 2408.127361 2785.673735 2287.709611 3092.911291 2741.13605 2502.12716 3291.196344 2054.469448 2311.485724 2114.464324 2233.2205 2462.824393 2238.683747 1917.291647 2282.031005 2817.329756 2453.294922 2562.611434 3081.265669 2370.226649 2711.37173 3062.160157 2635.757082 827.7719638 2270.713543 2561.499205 1968.368191 2885.110029 2830.256197 1781.454064 2304.965229 2633.126108 1837.251695 1888.579 2371.660899 3167.132593 2123.765934 2425.171681 2681.309468 2289.051666 2454.828408 2532.561581 2923.654959 3870.303236 2370.110943 2340.436012 2055.080555 2642.720481 2550.45 3348.062694 2466.320406 3509.182272 2570.392088 2328.391081 2338.603624 3101.06292 1544.618752 3918.400135 No_result_found_in_bank_inhouse +M157T57 M156.9157T0.94 156.9156994 156.9144523 156.9254716 0.943088265 0.859877856 0.966034516 0 167 0 167 48 63.7528356 32.00226003 0 1 1 0.37150483 0.28160441 1 1581.547928 587.5526945 0.37150483 1515.364993 426.7334647 0.28160441 0.758010091 0.898463453 2.53E-09 323.9978301 2760.18828 2436.19045 0.819778203 0.821245135 0.946954697 0.818415338 0.943247809 0.539848157 0.876629164 0.989714906 0.874779737 0.98888698 0.539848157 1706.651743 2067.8325 416.8489414 836.3938023 2863.389218 2236.145776 959.3409758 1145.836835 1364.565397 1375.390158 1234.786473 1953.335461 999.6443372 1086.989726 1675.10496 2033.481179 1657.20825 1407.606661 3272.852336 1201.745327 2265.065762 1171.455075 1732.591177 689.5147928 1638.868283 2292.422527 1615.763533 865.5377952 1818.879609 1186.514143 1010.843353 1625.933396 1394.264961 1514.632501 575.4549579 2302.310453 1021.25076 1585.18189 2530.572758 1872.180501 1555.385378 1532.543387 1918.559208 2016.82739 1320.940811 1021.004021 830.0136839 1264.588688 1474.224694 2737.204131 1097.048619 2286.64545 2937.949006 1458.570544 1407.762953 1154.378647 777.1291721 1101.61479 1332.168329 1675.559192 1398.875613 2147.91838 1873.113414 1676.072852 2064.312127 1643.432677 1456.602588 957.7693148 950.1625714 2874.317786 2903.591164 2072.664891 1490.338159 2379.302663 2384.788826 2702.282961 1605.316504 1142.267801 1371.780179 1582.574584 1875.724241 2041.432541 2647.426016 1254.629624 1226.133544 1842.70918 2377.700754 1640.918235 1093.195447 1130.853816 1444.903568 1172.340734 1729.611609 1401.306022 1234.821516 2611.465055 920.6178412 1532.201397 664.8039399 1658.072045 1962.497726 758.8565272 1358.628038 1181.778302 1227.780663 1752.84417 2017.771877 1464.68808 2718.425785 889.4997381 1567.323963 1035.273131 1294.982249 2026.527854 1441.371936 1418.405552 1028.713598 1475.362627 1203.540439 1180.675422 2149.975087 1199.492681 1555.56597 No_result_found_in_bank_inhouse +M157T933 M157.0118T15.55 157.0118183 157.0111189 157.0128068 15.54838724 15.52615592 15.76841183 0 313 0 310 30 3.815387221 23.53965297 1.50E-09 1 1 0.11159214 0.095407263 1 2822.154992 314.9303141 0.11159214 2946.158704 281.084939 0.095407263 0.85496401 0.922354898 1.48E-10 2323.298782 3916.931858 1593.633076 0.819778203 0.81748175 0.863706624 0.818415338 0.863226859 0.970545484 0.682015887 0.972147899 0.684096745 0.972068942 0.970545484 2337.772282 3456.556017 2342.370171 2731.232878 2451.971765 3389.609449 2893.503147 2594.22828 2778.281014 2769.183121 2574.89837 2396.290964 2345.895057 2171.584066 2233.096946 2901.415824 2717.699523 2611.529649 2771.868354 2555.661863 2638.196836 3442.540466 3068.642788 2886.136306 2789.716881 3492.856625 2600.971232 3058.691066 3118.238222 1708.952767 3147.974787 2948.772086 2853.970125 3077.743867 3114.096016 3205.598693 3017.526354 2575.000933 3146.504072 2750.103805 2728.768898 3048.891234 2946.262926 3000.015825 2879.137441 2456.437479 2888.352249 2751.869022 2794.804724 2953.283607 3496.017602 3388.403784 2913.278736 2846.312606 2156.215776 2589.543775 2934.025557 2743.75385 2972.321037 2734.880349 3012.634731 2887.353609 2539.653995 2832.48227 2729.941776 3223.218339 2954.32926 3346.742908 2356.470784 2399.618448 3612.236773 2788.741952 2448.48877 2629.364537 2826.575613 3487.584736 2673.550211 3009.057754 3195.456623 2759.356433 2676.773706 2857.864746 3276.749759 2332.537011 3487.152909 2930.548369 3196.095027 2610.513996 2905.277174 2202.922545 2842.942742 3004.349976 2186.891795 2620.693913 2511.597008 2763.32455 3243.10642 2625.4428 2512.876407 2880.487257 2416.62841 2201.346392 3136.011329 2662.207945 2697.940056 2852.919952 2670.926688 2176.846144 2805.26393 2773.312172 2770.782234 3021.896201 3132.80079 2343.251128 2415.347532 2624.922332 2634.172927 2768.859676 1786.170849 2402.360922 2783.817077 3274.315199 2746.464993 No_result_found_in_bank_inhouse +M157T895 M157.0119T14.91 157.0118549 157.0112607 157.0125752 14.9093234 14.89044978 14.92524159 0 186 0 186 959 3.483492923 15.16373918 3.99E-07 1 1 0.234976922 0.144283256 1 1899.494218 446.3373053 0.234976922 1833.73177 264.5767907 0.144283256 0.614031603 0.927051677 7.63E-11 1401.912389 2808.669128 1406.756739 0.950399219 0.950999255 0.825939361 0.949728952 0.818499383 0.915966112 0.549782369 0.972147899 0.554466205 0.972068942 0.915966112 1562.545899 1712.045376 2002.180284 2157.354405 2042.340401 1334.488409 1457.630089 1556.685897 1702.416119 1249.557197 1348.807603 2021.647722 1111.433016 1494.296338 1111.056732 2076.556847 1654.386924 1621.392983 1540.331486 2444.388794 1609.155593 2272.612586 2247.208751 1555.692109 2096.718085 1848.224468 1908.382481 2253.944479 2166.394244 1117.554167 1979.585098 2077.920726 1222.239596 750.5846822 2209.744122 1946.121987 2163.589187 1696.875851 2854.704758 1539.955273 1565.782038 2125.238013 1719.213765 1792.959449 2054.77516 1776.552628 1718.797829 1684.101393 2196.956604 1595.333352 1656.754612 2039.39895 1726.460942 1985.43989 1362.780073 2463.676059 1719.345449 2307.43183 2369.954819 2791.24526 2055.776162 2298.337787 2007.472307 2149.654563 2267.108893 2157.609238 2210.676336 1546.04047 1977.138106 1166.094977 1018.866124 1829.16935 1744.847138 1525.06943 1468.811125 1342.951381 1999.212948 2220.003786 1509.377435 1827.049409 1967.176173 2208.462752 2188.653561 1750.814967 1573.859032 1871.68465 2179.82911 1619.634032 1563.951251 1643.829851 1166.925782 2071.362508 1236.426106 1843.400716 2188.293755 1182.384356 2130.98459 1980.502853 1272.99428 1445.374729 1804.037588 1926.951688 1783.9213 2348.407748 1570.55514 2574.801416 1366.875077 1961.928495 1760.696344 1084.696571 2204.653934 1439.242183 1996.893389 2334.663987 1607.432196 1332.664504 1205.395491 1845.428967 1467.761536 2209.094545 2060.851827 3017.527006 2436.64054 No_result_found_in_bank_inhouse +M158T53 M157.863T0.89 157.8630114 157.8623135 157.8637326 0.891616814 0.863597188 1.016767975 0 352 0 272 [3M+2Cl]2- 81.9252 [M+Cl]- 122.891 45 312.7500598 38.54162213 0 1 1 0.141326173 0.133349894 1 1901.007739 268.6621479 0.141326173 1916.332853 255.5427823 0.133349894 0.943561205 0.779617493 7.10E-06 1269.709475 2546.172869 1276.463394 0.997345783 0.997340401 0.917465563 0.997357946 0.917754402 0.895228214 0.891406289 0.989714906 0.89078351 0.98888698 0.895228214 1725.661682 1623.357966 1509.759485 1664.559869 1726.837548 1943.946496 1903.252665 1435.96489 1765.774412 2070.61419 1845.053533 1791.716469 1781.09372 1932.229596 1516.100347 1484.129 2014.008627 1490.03698 2036.937781 1910.966147 2285.376264 1908.820531 1905.034628 2083.63606 2127.407128 1991.960552 2383.012941 1812.558475 1917.067618 1938.04189 1921.658911 1883.138555 1787.750587 1990.489696 1713.11359 2460.102498 2312.191409 2184.681259 1922.061041 1754.264625 2214.483166 1452.3392 1705.661523 2146.244136 1988.583947 1457.125236 2192.498352 1814.910752 2411.186479 2039.011963 1816.491694 1486.021988 1871.456695 1772.216977 2028.935329 1883.488969 2058.009794 1655.620738 1890.431707 1682.490586 1492.18074 2119.766386 1445.553582 1424.860251 1705.554545 2251.524412 2304.303855 2177.355381 2353.791314 1702.813861 1562.209145 1821.00242 1732.650727 1944.506207 2010.523084 1759.169458 1916.185025 2297.83231 2543.298482 1803.989382 2517.899686 2240.468246 2127.056376 1788.728303 1977.995697 1898.049628 1659.652961 1649.669358 1701.92372 1614.846744 1759.317667 1783.604586 1922.286255 1790.588619 1923.034164 1905.762692 1879.839193 1323.299689 2002.283926 1953.695156 1566.623284 2075.119587 1878.066223 1974.120228 1644.117681 2218.594382 1790.977523 1339.153962 2358.16933 1909.193369 1715.052643 2184.993561 1996.522891 1327.865365 1773.850579 2034.800252 1551.066454 2116.280034 2803.811039 1762.824008 1735.852111 1759.167329 1519.320921 No_result_found_in_bank_inhouse +M159T56 M158.8466T0.93 158.8466299 158.8459662 158.847527 0.925755975 0.838417261 0.965690546 0 215 0 210 [M-H-H20]- 177.867 48 Inf 50.7504002 0 1 1 0.177009303 0.165937814 1 982.0387119 173.8299883 0.177009303 925.5952204 153.5912476 0.165937814 0.9374525 0.935075608 2.20E-11 670.1126196 1461.397421 791.2848017 0.274210111 0.278233853 0.89018862 0.281407219 0.887209209 0.896173123 0.652352267 0.527705516 0.651421769 0.524444844 0.896173123 946.1263101 864.5896201 924.7015773 817.3657828 1032.074664 973.9022067 1190.527859 744.2077202 1022.431851 919.5480965 830.4372743 1058.244419 813.4394439 1030.762682 1368.796549 1159.625147 834.9030409 743.8284751 777.6905262 837.7958075 1067.8599 882.8267518 806.0002325 1004.957739 942.9737097 1129.630712 890.8143827 872.7554414 990.8498625 633.4059927 751.2725477 942.3424119 1298.767468 845.0068615 892.4841959 858.2030001 835.655379 1176.036141 952.3148997 997.5254904 944.7702105 861.251514 1094.157821 1040.534674 902.887161 1046.582034 700.4828871 821.9963696 1065.441113 1236.434185 808.7688756 606.1271354 1042.2629 1219.865413 1180.182598 1030.100062 1009.183766 931.7213196 1120.649036 1294.9288 1039.189309 967.4932771 877.9490113 882.7919593 1205.193358 1053.36236 1059.596687 961.6987666 1056.406952 873.4756636 895.1839826 640.3976475 1637.871323 838.3883353 744.7248304 955.6650205 971.5379688 784.6961013 1175.483973 975.3696213 1294.837829 1007.401223 934.2099294 926.2612925 1026.972164 925.0888947 1220.234291 1044.804304 1052.156266 876.0365322 894.964959 730.5859443 972.8360451 748.8000101 744.8511704 921.5908323 889.202885 1029.528747 1050.374253 871.3499865 812.8743443 691.8400367 981.5653978 836.9556593 881.9538269 623.5093728 974.1509314 1068.65399 818.7894744 1060.8369 893.2057707 772.9862328 1175.845789 1155.750189 1395.75699 989.6743872 1192.040523 1106.119958 1036.801067 822.4650062 935.8417175 711.6596692 655.6893987 No_result_found_in_bank_inhouse +M160T53 M159.86T0.89 159.8599655 159.8591128 159.8607527 0.891616814 0.860727702 1.012350333 0 264 0 208 [M+Cl]- 124.894 [M-H-C6H10O4]- 306.925 45 Inf 39.38809958 0 0 1 0.179473189 0.137674016 1 1289.161845 231.3699868 0.179473189 1258.108389 173.2088345 0.137674016 0.767100742 0.778687655 7.40E-06 950.9365006 1713.613719 762.6772181 0.767136029 0.768555237 0.978897075 0.764659619 0.978101298 0.835729189 0.91677177 0.917774791 0.917180308 0.916846385 0.835729189 1202.929489 1053.091295 1319.113492 1282.983101 1043.042501 1278.024028 1052.570978 1079.309294 1473.916556 1454.137266 1399.174751 965.5103384 1197.687012 1064.902027 1362.050769 1131.95458 1163.965342 1240.670344 1314.154419 1200.095733 1480.637593 1505.432959 1127.834951 1272.356515 1137.044659 1287.942174 1410.715137 1165.38222 1208.472867 1160.413904 1214.264514 1311.627752 1407.126468 1236.934563 1022.277534 1271.036035 1251.072805 1205.843378 1120.750561 1453.00847 995.6639017 1195.149683 1448.757836 1146.63313 1486.305105 869.8965624 1459.384422 1135.194891 1293.483836 1237.643002 973.3952405 817.5386518 1377.205493 1239.651799 1315.417565 1170.341294 1115.518345 1620.988777 1150.721261 1637.648935 1482.996198 1245.435832 1458.766815 1142.424833 1473.534461 1703.537249 1381.456127 1477.803837 1014.218437 1149.088122 1341.783541 665.9405736 1033.210422 1360.202956 1339.658224 1141.295293 1771.097599 1239.768319 1622.419256 1115.443352 1527.327915 1679.304963 1241.893637 1392.49591 1489.8473 1252.039362 844.4519656 984.3624309 1284.066998 1269.522759 1103.748024 952.1253819 1191.594465 997.4156681 1113.365748 1560.691204 1429.629982 1054.4303 1023.29457 1080.139376 1039.98851 1333.990712 1117.208366 1216.389831 1100.914268 1033.786999 889.7994338 975.4989121 1779.013711 1122.875878 1187.263992 1331.865395 1180.313201 1314.338758 797.8572105 1298.56876 825.1629824 1485.256685 1583.361254 1127.126512 944.8712198 1201.677176 1103.045893 No_result_found_in_bank_inhouse +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 +M163T1075 M163.1129T17.92 163.112856 163.1118117 163.1136941 17.9151951 17.90227005 17.928736 0 80 0 80 12 17.44297148 28.83371238 0 0 1 0.531620378 0.19468809 1 1588.961801 844.7244738 0.531620378 1440.348558 280.4187091 0.19468809 0.366216378 0.935893196 1.92E-11 892.5263308 2443.363119 1550.836789 0.997345783 0.997340401 0.828852751 0.997357946 0.82935687 0.970545484 0.684119509 0.913056964 0.686164823 0.913037985 0.970545484 1380.01968 1046.581026 937.2388977 1542.098587 1580.668283 1404.683862 1424.895712 1114.348407 874.7505809 1397.956505 1739.374805 1467.406901 1474.612008 1672.825596 1620.961928 998.9458924 882.0381105 1717.105881 975.9968972 653.0135678 1374.147256 2492.256818 2861.045056 3198.122204 2959.701782 2888.058207 2173.348551 1670.117434 2787.052424 4057.817896 1845.115675 3311.792998 2254.908677 2814.065663 1329.516832 3300.118793 1210.714845 2139.03411 1397.636953 1576.158648 2535.826233 2822.640482 1971.960037 2269.343772 2072.965732 3109.854973 2314.909608 2955.796911 2993.105098 2916.245843 2205.682519 4956.326 2117.596156 2485.611837 2789.517207 2532.189303 2863.944922 1999.578856 2409.086208 2626.42792 1719.997276 1791.089372 2815.827405 3130.538815 2238.566081 2752.288875 1971.960037 2486.384394 2327.258854 994.7886546 723.4826579 1576.344738 1276.271439 1883.873674 1141.599259 1108.713683 1244.953924 1848.639129 2069.251834 2404.760741 796.6894092 1798.364199 1226.162167 1830.886062 1408.207316 1483.110205 1621.314029 1416.436692 1122.913558 1182.706228 1657.198101 1471.424461 1665.419495 1966.59365 1447.586676 2068.267793 1434.045983 2417.524022 2475.831201 2858.29232 1856.860523 2597.960453 2243.266033 3038.392266 3411.878443 3451.238129 3026.647418 3276.441264 4501.853349 1957.866219 1930.915037 2633.194998 2056.786712 2409.300091 2566.526177 1524.481315 1949.688477 3128.436852 2118.770641 1435.220467 2678.203453 1681.50301 3060.723436 No_result_found_in_bank_inhouse +M165T56_1 M164.8361T0.93_1 164.8361035 164.8357356 164.8366314 0.925748065 0.857846204 1.088226656 0 307 0 305 [M-H-CH2]- 179.864 48 510.0497082 53.01844801 0 1 1 0.113678458 0.110022906 1 4256.229581 483.8416177 0.113678458 4004.372279 440.5726754 0.110022906 0.967843052 0.978168583 1.67E-16 3213.037986 5145.128765 1932.090779 0.924827568 0.923406161 0.907981747 0.924732655 0.905542086 0.91798044 0.847848538 0.989714906 0.850440292 0.98888698 0.91798044 4288.744153 4029.245289 3954.556684 3794.470092 4431.230886 4435.419355 5065.588084 3865.316449 4499.735567 4606.190295 3879.490699 3831.008498 4255.90261 4684.857593 4183.219768 4531.973152 3727.903935 5019.876468 4056.911459 3906.071975 4335.074889 4293.460748 4614.402131 4461.834883 4254.379234 4001.446534 4540.406402 4569.894491 4836.989948 4343.038988 4821.468076 3746.544196 3972.404777 4242.168198 4503.248041 5345.8546 3875.579512 3953.161029 4630.823701 3936.038001 3943.874411 3907.559286 4009.93372 4532.185317 4327.7358 3996.95604 4160.510663 4215.762026 4449.89057 4108.607978 4078.346257 3610.615486 4781.120819 3570.392043 3993.578937 4135.70316 4226.231139 4311.548899 4531.931985 4880.776944 4356.630849 3699.80254 5047.969536 4557.085491 3925.591135 5106.848256 4468.467336 4193.803135 4000.173934 4490.713297 4043.719458 5128.809121 3981.684575 3786.73164 3541.467705 3724.7849 3703.794903 3854.075919 4781.582199 3607.620856 4012.697976 4829.56106 3543.274709 4510.505325 4412.980617 4366.170114 4885.073583 4419.314761 4961.795908 4039.433112 4057.235211 3363.075358 4702.9679 3983.91767 4518.235664 4118.62732 3981.221105 3810.571871 3915.624497 4324.466544 4287.084687 3578.075182 5020.061065 3744.348853 4473.877408 3576.596795 4185.959821 4490.057189 4763.417961 4906.267375 4421.67194 4030.638388 4811.486688 5381.557167 4651.133302 3414.174231 4253.843469 4062.868482 5092.760534 3615.497025 3977.786822 5034.825618 4324.568997 No_result_found_in_bank_inhouse +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse +M167T55 M166.8605T0.91 166.8604803 166.8594882 166.8613241 0.908399457 0.872420773 0.925999898 0 153 0 153 [3M-H+Cl]2- 99.9233 45 Inf 22.26094919 0 1 1 0.196516142 0.147846179 1 2337.283781 459.3139922 0.196516142 2168.922084 320.6668425 0.147846179 0.752336053 0.965754615 2.23E-14 1194.994672 3140.166549 1945.171877 0.088828727 0.079452736 0.715391897 0.079178006 0.695696123 0.895228214 0.017710942 0.955277479 0.017282096 0.954444196 0.895228214 2365.452222 2251.127447 2507.142557 2120.586073 2523.511252 1931.253552 1955.360739 2087.357731 2381.533568 2860.915238 3274.718338 2095.480273 1996.015195 3067.843577 2861.001396 2849.565969 2291.866882 2871.920301 2198.429334 1985.570521 2236.996218 2036.429045 1862.317064 2445.336342 2657.060411 1957.095318 2582.972325 2612.929486 2919.562742 2473.544471 2518.760779 2975.43369 2873.111484 2130.55493 2242.010295 2220.234769 3021.155715 2423.247768 1905.783075 1989.410132 1617.313605 2700.390504 1926.650274 2690.938849 2307.687305 2069.598667 2211.894274 2273.130091 2121.14925 2840.235159 2122.088505 2280.606457 2084.854905 1748.603328 2645.671009 3204.938 2947.093994 2187.600815 1737.712668 2468.717514 2191.866308 2331.740997 2609.427122 2748.628678 2510.87931 2963.229495 2116.835513 1817.49387 2744.100712 2493.654155 3716.200122 3345.589258 1265.458715 2156.008473 1866.104626 2276.358282 2735.80705 1879.849146 2813.164041 2548.105442 2427.733645 2570.94031 2126.214506 2740.309066 2684.119293 2627.861793 2832.795389 2352.195096 3907.858688 2508.583232 2646.293144 2255.772446 2568.243175 2201.388757 2228.48458 1854.448948 2317.19305 2297.727835 2006.936587 1247.905451 4127.809288 1914.557759 2673.307467 2650.607711 2399.272112 1727.351628 2269.127942 2408.892407 2336.466501 1834.790941 1826.507004 1962.537086 2032.868849 2876.083613 2153.030498 2207.578692 1904.444777 2772.772649 2370.561762 2717.660591 1968.970204 2350.227659 3443.016904 No_result_found_in_bank_inhouse +M168T50 M168.0778T0.83 168.077807 168.0767216 168.0784613 0.825015415 0.797831863 1.112226716 0 76 0 76 16 Inf 20.71663681 0 0 0 0.926424 0.285003842 1 781.7365704 724.2195204 0.926424 755.2677248 215.2542034 0.285003842 0.307638664 0.894073335 3.95E-09 341.9142764 1464.034696 1122.12042 0.706312375 0.708833935 0.828852751 0.709252557 0.82588821 0.926511606 0.841768538 0.53149086 0.844193462 0.529415534 0.926511606 211.2520979 279.6561926 997.4041835 208.0990815 545.1972461 545.4718348 891.9003491 825.7356348 393.4595012 812.5026919 437.5693107 199.3763392 79.39765719 588.4248594 273.4808192 640.4744347 1937.003067 192.3187696 3195.056605 276.4144365 1191.840194 225.9661743 407.7901193 246.9862836 428.8102285 262.7513655 74.98667624 240.6802508 448.155665 2188.72875 194.4360105 1468.856658 378.4621659 387.8210155 127.1716609 425.2185641 1899.368399 190.5543773 345.780797 228.0681853 2587.481428 552.2548156 607.4811571 1563.25165 367.8519117 290.2425468 736.7548289 491.3832784 336.998945 112.4575844 92.48848066 109.3045681 2488.780934 1197.140231 450.8022536 1217.064325 780.7436291 439.3337031 1576.484593 1367.404096 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M168.8575T0.91 168.8574564 168.8563875 168.8583403 0.908634704 0.882608587 0.926080972 0 146 0 146 45 103.1140912 22.19274953 0 1 1 0.20602529 0.179068278 1 2425.767956 499.7695465 0.20602529 2225.012772 398.4292048 0.179068278 0.86915678 0.968932667 7.77E-15 1310.905133 3025.416821 1714.511688 0.001226576 0.001348769 0.907981747 0.001000192 0.905542086 0.537439551 0.078631834 0.08055643 0.070626021 0.07396514 0.537439551 2729.57348 2506.093318 2530.235235 1773.985307 3312.513503 2173.639238 2043.743106 2027.316761 1096.468907 1344.920662 3458.345114 2933.53873 1501.921262 3266.318896 2119.53686 2126.300843 2636.788249 2016.01294 2779.322317 2040.702567 2628.110247 2328.72571 1972.05848 2565.409736 2567.374101 2214.235452 2024.015397 2450.821477 2739.839709 2570.491468 2894.872989 2259.742611 3178.927257 2341.395507 2975.156503 3199.519115 2579.712805 2170.831263 2011.293446 1964.356867 2054.6664 1673.985614 1803.359291 1909.701218 2541.204669 2918.954259 2607.216652 1922.47443 2545.029429 2605.42599 2171.555855 2411.006437 2468.556231 2462.461235 2641.665308 2870.632761 2641.615222 1789.548053 2406.47871 3602.344839 1494.111742 2669.739994 2122.091913 1985.450533 3182.065563 1845.23372 2172.057253 2197.491302 2572.842701 2649.982448 3557.021406 3138.763388 1467.366272 2676.119296 2412.549388 2561.216921 2392.314055 2282.36603 2355.182346 2004.52639 2297.93674 2131.021305 1773.978558 2286.633094 2208.532273 2963.091847 2562.582067 2201.196279 3376.002105 2525.92369 2680.117905 1800.749639 2651.538135 2696.588053 1307.68714 2067.049087 2396.211088 2129.759633 2229.219652 1815.732 4126.523179 2388.801778 2662.517837 2755.371024 2250.943127 2904.275542 2304.501525 2431.615493 1681.87711 2181.467927 1899.296602 2077.160813 1821.943676 1635.596354 1661.904431 2807.447877 1875.339786 3394.712961 2260.604185 3017.047252 3802.299024 2568.965821 2533.997479 No_result_found_in_bank_inhouse +M171T54 M170.8544T0.91 170.8544318 170.8476499 170.8556883 0.907824186 0.856731309 0.950746816 0 116 0 116 45 68.81774695 21.6928136 0 1 0 0.331773315 0.268793442 1 910.8070659 302.1814795 0.331773315 845.0901748 227.1546971 0.268793442 0.810171976 0.925519592 9.53E-11 473.1555452 1528.656377 1055.500832 0.20482674 0.202711405 0.828852751 0.205898714 0.82588821 0.898410485 0.327015996 0.820748553 0.321866825 0.819088137 0.898410485 990.0875107 849.085789 885.0940269 738.4160282 954.0289764 900.6488597 419.7727496 477.0144882 1233.877476 655.0998971 744.1426016 1310.199794 499.2751643 1469.204624 527.8960336 810.9246299 1081.733107 1008.090618 1359.502796 952.4617644 928.4026643 997.133374 805.7929947 772.6141147 1134.792906 628.9190226 855.4459821 933.6682805 1291.119215 712.3416357 1088.145953 864.9862719 597.8581585 678.3249743 1315.550758 744.1426016 998.5503286 1017.630908 558.0218102 1063.235795 1023.991101 795.024147 844.8798754 1151.194965 760.7768423 667.8202834 1018.714159 1046.251777 855.4459821 1077.716635 904.4258418 1201.378724 836.7610097 969.9294593 772.7634708 960.3751317 1074.872647 941.30859 391.1518803 483.3746814 858.6260787 929.8359802 588.3178688 505.6353575 1198.896414 874.5265617 1166.300161 610.8398805 979.4697491 1150.101936 1925.25703 995.370232 658.2799937 785.8743007 847.2266812 1065.205712 877.4211556 958.4591128 744.1426016 639.1994142 887.246948 798.2042435 597.9917498 623.2989312 1229.040004 1128.934289 1182.995931 963.5692661 795.024147 878.4203807 1099.080046 861.8061753 976.8890417 785.4838572 772.7634708 791.0534106 1239.686103 785.4838572 1113.033806 804.5644367 1235.741238 1135.935329 834.5029826 993.1430602 786.485174 674.1804766 897.0861168 1262.498345 864.9862719 900.6398975 686.900863 741.6952563 807.7445333 569.2372892 553.3368063 1119.765682 429.3130394 1084.412936 896.8815013 1080.981982 718.7018289 814.1047265 868.1663685 No_result_found_in_bank_inhouse +M173T56 M172.8307T0.93 172.8307218 172.8295622 172.8318276 0.925741667 0.841861714 1.078849641 0 139 0 138 [3M-H+Cl]2- 103.904 48 29.65548059 35.38038531 1.33E-14 0 1 0.297747675 0.16788106 1 529.7787064 157.740378 0.297747675 503.3724934 84.50670772 0.16788106 0.563836678 0.818062229 1.05E-06 366.4627513 757.8089214 391.3461701 0.454406555 0.455665464 0.89678764 0.456717033 0.898456292 0.895228214 0.738597855 0.610518283 0.737406104 0.60997047 0.895228214 374.4758107 483.1387667 443.8609746 371.4147006 492.5035872 2087.677136 456.5679451 577.4204098 576.5230189 592.5566498 581.4825721 489.5429691 434.37074 612.0757291 520.8701079 425.9546507 517.3276186 627.357358 434.6776441 378.5572909 332.6406384 618.3442542 462.2276356 488.757257 343.864709 595.896113 480.1297886 427.5350537 545.9523909 435.5202553 513.2461384 543.8824949 649.8775589 582.6313022 456.1054152 621.4283525 343.1311576 629.0764665 486.7165169 439.7794943 640.1231343 523.5335336 570.3868616 592.5253673 508.1442881 611.9261844 341.8239689 764.772527 917.8300763 644.8738757 606.0998135 585.6924124 470.390596 515.5865451 354.4689369 1383.621797 557.3866333 585.6258805 457.2389304 439.7025218 384.3639769 466.3091158 620.2448412 497.7745852 647.065114 398.196862 402.0258022 534.6739096 475.1707302 578.549822 458.1461554 482.167178 496.9079734 511.2053983 536.7146497 265.2962147 570.3868616 456.1054152 449.5025759 588.9034615 476.692132 621.4091929 499.9813277 527.8892368 664.2609068 577.5347386 394.5250969 485.4005589 718.2886878 440.7998644 552.0202005 337.8802779 480.5942966 699.2970707 472.1971986 526.5109491 458.1461554 372.353836 685.5740891 740.6834038 434.6776441 380.5980311 518.3479887 403.0461723 583.6516723 608.8168284 524.470209 477.335612 525.7627062 549.9794604 464.2279069 803.0312344 399.3901208 656.2126943 738.4870855 434.6776441 386.3105702 443.8418497 417.3313531 404.0665424 576.7900593 486.3719256 678.9002842 No_result_found_in_bank_inhouse +M173T881 M172.9858T14.68 172.9857581 172.9847527 172.9870487 14.6768987 14.46814758 14.91258704 0 132 0 131 [M-H-HCOOH]- 219.992 20 5.706645677 13.48049836 3.49E-06 1 1 0.241711523 0.193832103 1 404.9297977 97.87619814 0.241711523 389.5214379 75.5017593 0.193832103 0.801915027 0.848492387 1.62E-07 243.9649241 584.8873471 340.922423 0.543751701 0.53931399 0.79145929 0.540177416 0.799360927 0.992723778 0.413870709 0.703262774 0.421099725 0.701953625 0.992723778 343.7477952 437.7318336 325.1112525 267.7257347 436.0988634 383.3207207 364.8045636 269.3659473 493.3182792 480.0303952 365.5900749 260.1934359 439.1539498 459.3385827 479.8555751 397.444426 467.1321459 401.2175587 252.2542573 559.8569204 388.5733593 314.1398008 411.2538703 489.7830202 487.9184624 409.4608181 411.3938365 313.162721 638.0477036 330.3396209 510.8111531 348.5422702 370.1359319 474.1618734 340.449957 315.1356748 429.3552133 444.591276 384.923162 238.7002489 323.1474962 407.1768885 315.0569776 312.3349325 400.0532671 325.6147436 320.7466892 244.3921763 310.5470812 332.9519125 483.8107212 327.6493963 502.5946001 413.0259632 332.188429 316.7635166 339.2372512 243.8411969 399.2371538 398.7878989 355.801913 463.5065023 485.0367591 539.3422711 525.8970897 368.1053664 336.1487986 436.0499809 386.1907907 409.5545921 417.5971402 389.6206343 354.8636733 290.4063158 577.5972977 511.7900856 270.4284192 440.9841315 216.9467174 399.029517 463.2529608 455.6592721 392.1496078 428.8606152 410.4200314 572.9969968 670.0468938 404.4866273 429.1476375 539.7730306 411.1625725 336.155891 304.1751896 388.6405626 384.2456313 426.7406171 367.2308668 523.375045 420.799166 309.7577437 460.8649459 281.2288489 279.7789448 618.0569002 351.1507375 433.2456039 283.408465 420.7799212 367.9255351 448.5149116 436.2903712 304.7298639 476.0059815 432.0919692 456.1907706 647.1684109 357.1600213 306.8554025 360.0308772 418.3155251 292.1479002 436.0612014 462.4449056 No_result_found_in_bank_inhouse +M173T933 M172.9859T15.55 172.9858803 172.9846928 172.9870038 15.55190251 15.52616142 15.57203223 0 80 0 80 30 4.12050596 23.12638164 0 1 1 0.272964676 0.244912625 1 350.5053353 95.67557519 0.272964676 383.7345846 93.98144453 0.244912625 0.897231939 0.716745653 8.13E-05 235.2921989 635.4239585 400.1317596 0.5723223 0.57428696 0.922633378 0.577519318 0.922791943 0.926511606 0.775003295 0.836852633 0.776963517 0.837982462 0.926511606 393.8441937 404.2881528 311.5853452 370.0534016 327.8208436 344.9301492 374.9091127 286.2100552 343.7004098 332.4315065 398.6749726 293.0671375 341.6056044 229.9172285 271.0676286 388.8578123 313.7863489 314.2681394 359.8698523 437.9628603 241.649185 222.4750381 225.5893964 284.7288579 268.9154876 269.2069757 154.7884885 407.197628 449.3040213 202.6444967 265.979496 360.1618863 366.8931043 260.111609 345.8347797 458.0809907 282.4211067 275.4763055 327.1868644 322.0872657 339.2644794 464.4905666 410.0545233 359.0859308 401.2303864 438.5812632 298.4898216 434.8456694 365.8876673 240.4405603 310.2821683 424.9964579 317.0472549 392.7334734 254.1302949 128.567193 240.2286241 257.0965339 456.660478 375.5139126 375.9730182 259.2557631 355.5730886 244.2287909 317.9704433 506.0712476 237.0501612 338.1459518 474.1174273 333.0501144 317.2146409 383.9216258 324.2601279 286.8320491 277.4649649 568.9068014 369.8755763 557.3221191 268.2958531 262.2785435 340.4761246 337.8642001 197.7073121 374.1790287 318.3885634 339.0180478 312.9259724 321.4995226 518.2915804 258.126537 305.7659265 341.0232844 345.1004547 274.5162827 280.3613854 518.140038 467.6609374 427.209788 331.2588045 262.9010197 349.1977718 219.3679601 346.0925458 168.8187495 378.6260073 441.9552165 434.7090944 619.865502 240.851375 440.1933548 249.3730206 276.9951085 358.1429057 358.2017581 458.8522658 236.9477891 369.7920349 512.3405411 280.1669863 310.2348059 600.2423639 443.9269584 327.6720985 No_result_found_in_bank_inhouse +M174T55 M174.0884T0.91 174.0884339 174.0879021 174.0887311 0.913374216 0.901399398 0.926083401 0 86 0 86 [M-H]- 175.095 45 Inf 49.34007315 0 1 1 0.338727737 0.109473302 1 7646.330927 2590.024374 0.338727737 6786.306452 742.9193761 0.109473302 0.323189659 0.981323938 3.05E-17 5118.279795 8928.957432 3810.677636 0.638905339 0.639419382 0.828852751 0.629031279 0.82588821 0.358619625 0.859653827 0.53149086 0.854180076 0.508387933 0.358619625 8374.999167 9906.447969 5347.011694 7554.827211 16007.82522 6274.7448 7465.618218 8177.559178 7912.863971 6571.064549 10007.70093 8055.974681 4577.254887 8547.250977 3634.653496 4668.837559 4536.738531 7618.662713 10204.82138 6862.485948 12915.23555 8757.535979 11483.14511 4321.399943 7673.449175 6291.116884 5503.939217 3855.976878 10395.79083 13716.37442 5855.986507 6518.916357 5793.631915 6254.54215 7936.061877 12347.92206 6529.029724 8908.361558 8233.369732 7105.114624 9343.514549 6717.880481 7602.337291 7833.990318 5917.248853 3963.193737 8047.046218 5382.16868 9392.173136 6326.250796 5646.812812 8249.787145 9780.55972 6051.87882 6823.855193 6995.217824 13071.42163 5924.823476 6847.146423 5598.827601 8081.255628 5960.94301 10928.60555 5565.893324 10159.01341 12545.44577 6856.456277 5589.874811 6245.326366 7492.081537 8163.925938 7450.682576 8784.099299 7932.81145 6423.193033 7965.990546 6624.4621 6386.439369 8849.409369 8934.970822 15296.16186 11868.14023 6322.017709 5140.981651 5785.030075 9873.319723 5171.909345 8626.889166 6349.152898 7707.451072 7057.982838 7941.877165 8504.666693 8617.850612 4173.884679 8648.335958 5375.883565 6251.503531 8099.950092 6347.116873 5689.320049 5563.0404 5541.908806 5212.180659 9432.15159 6987.013307 10071.46556 10647.65872 9502.823081 6229.217868 9025.547348 7725.970558 10416.65713 5641.203954 6549.82648 7747.06396 5702.044752 13961.97529 4574.767793 8020.003523 14249.66436 7431.323577 3962.66638 0.0000339#174.0884#0.043374216#0.87#L-Citrulline#C6H13N3O3#C6H12N3O3#174.08841#93.22#174.0884#0.87#-0.057442078 +M175T880 M174.9561T14.67 174.9560974 174.9554265 174.9567768 14.671189 14.64930687 14.69054577 0 336 0 336 [20][M]- [M-H+HCOOH]- 129.966 20 5.184752627 100.3786958 0 0 1 0.069710059 0.048980165 1 9060.060065 631.5773203 0.069710059 9015.464334 441.5789311 0.048980165 0.702626936 0.842919034 2.35E-07 8255.204944 10086.64703 1831.442081 0.870450776 0.871385713 0.864302739 0.868402233 0.867627357 0.897437208 0.846628184 0.703262774 0.845821483 0.701953625 0.897437208 9498.026478 9609.500495 9320.54736 10184.7935 9189.092674 8812.224018 8869.543829 8486.921777 8969.520077 8506.433517 8577.869492 9074.726743 8509.924645 9449.060389 9874.181796 8543.549362 9242.417966 8930.65876 8439.903695 8945.333356 8799.684732 8325.121005 10308.25723 9543.360818 9174.898737 9900.248174 8734.272544 9783.536363 9140.869944 9580.011102 8480.415233 8080.491533 8444.674514 9418.932523 9201.906428 8411.166157 10096.79846 9648.684884 9163.324012 9451.727578 9567.061584 9298.564361 9611.844608 9876.203418 8727.342701 8620.300418 8916.396543 8739.959033 9263.839778 9512.494884 8842.125391 9119.918793 9728.556419 8457.248065 8810.379669 9713.123452 8959.618082 8542.228515 7412.074119 8494.802753 8680.320327 8824.763303 9050.715152 9094.452869 8342.289955 8704.144615 8437.010014 9636.923179 8965.76291 10433.65009 9167.182253 8842.565833 8676.298954 8897.105335 9066.867969 8821.869622 9044.68308 9609.915487 8935.311459 9596.076639 9192.410989 8747.372001 9446.904776 9138.813636 9184.544341 9444.366269 9038.545715 9148.522778 9271.064336 10301.50531 9279.071262 8719.158161 9003.206981 9193.847951 8787.126019 8905.786379 9590.624279 8967.946595 9128.949099 8689.841543 8559.509187 8336.69573 9185.508901 8962.695444 9177.792418 8669.548232 10004.4207 7978.515707 8835.077938 9638.8523 8966.936321 8699.370448 8314.384113 8010.763031 8736.55656 8069.512493 8425.870225 7981.566958 9195.154505 9052.399563 8907.392526 7680.91315 9286.966673 No_result_found_in_bank_inhouse +M175T56 M175.0724T0.94 175.0724447 175.0714287 175.0730931 0.935954084 0.90685323 0.947161471 0 108 0 108 845 Inf 43.6059944 0 1 1 0.375662993 0.210501655 1 2169.217676 814.8948048 0.375662993 1942.272227 408.8515175 0.210501655 0.560347062 0.976785047 3.27E-16 934.64896 2861.412828 1926.763868 0.688159376 0.689524815 0.907981747 0.686325257 0.905542086 0.877941452 0.745015672 0.949139883 0.742666323 0.949936104 0.877941452 1526.262819 3623.874893 987.0166217 1615.439567 3387.013294 1033.19085 2226.033275 2050.293279 1044.52809 1626.747192 774.2487226 2113.016515 1553.269228 2330.21902 886.589903 792.5819298 1738.697402 1355.017533 1160.584515 2503.436778 2653.922903 1822.147808 2043.282903 845.8130227 2392.301698 2340.321253 2831.50719 1899.65491 2041.438154 2836.238311 2376.450958 2985.855012 2671.10528 1721.255236 2349.504699 2312.61593 924.4990713 3221.557348 2384.768126 1351.611283 2350.649862 4171.093953 2054.604307 3362.358779 1633.175948 1866.866589 922.3987091 2969.111254 2046.423078 3487.309977 1000.032186 2881.576464 2361.215827 1491.234517 2799.742218 1515.860763 3220.880115 2595.310951 1870.189876 1570.148394 3331.506049 2440.444114 1257.901576 2004.503085 3138.846176 2919.42854 1369.340381 497.562321 2324.664216 4585.934661 730.5947158 3602.216745 2474.814153 2009.1082 2517.680897 1869.215228 1239.492982 2001.17223 1181.611745 1172.813842 1198.021458 1490.213709 1954.679519 1866.162777 3253.381749 2687.667002 1517.275907 1397.893951 1975.042581 1684.487228 1579.401194 1008.80979 684.1009173 2440.799923 1302.472779 2490.856057 1523.160621 1334.651733 1209.172895 3270.704535 2035.783923 808.6393898 2019.055023 1881.953779 1895.648211 2870.666616 1751.782267 2719.585482 2530.669947 2939.025337 1840.880947 3127.729957 2395.590825 2413.149291 2575.471534 1653.781965 2440.45689 2035.017018 1662.801744 2768.725482 1631.217362 1512.670978 1795.528303 No_result_found_in_bank_inhouse +M176T45 M175.9684T0.75 175.9684358 175.9592753 175.9695901 0.74551907 0.720388126 0.790418939 0 70 0 70 1016 Inf 45.01142354 0 1 0 0.370240304 0.290493453 1 434.5995554 160.9062716 0.370240304 424.8420978 123.4138478 0.290493453 0.784607859 0.741187196 3.42E-05 207.1125791 693.7922843 486.6797053 0.435247538 0.437791455 0.965227664 0.43998644 0.96610102 0.924056199 0.803335144 0.699823706 0.804047976 0.701953625 0.924056199 298.8491007 317.4523192 582.5855843 452.2171778 381.6064464 764.1407619 503.278067 377.1820238 391.5613972 374.9698126 307.4973684 1208.973466 487.792588 603.9336804 702.3770825 161.4914237 700.6221609 534.249025 182.3204129 322.4126983 234.2118864 357.1411426 508.0775968 172.1993358 376.4061392 521.2441784 759.8945759 267.3854781 347.3171715 564.1138773 341.9781097 470.0948977 793.0777451 385.970197 502.5203498 341.7866433 248.8737694 570.7505111 483.7692877 472.1875542 443.5483623 407.0468762 505.7059519 456.82163 361.3571848 621.6313707 577.137145 679.148864 1111.63617 184.4801279 444.5510507 154.4505504 641.0267301 764.3189985 373.8637069 573.2650854 282.0569386 432.4873059 188.0379591 402.6224536 269.8897766 357.1943841 251.0859807 460.139947 339.574432 527.6123911 435.8043667 360.714268 379.3942351 430.2114684 417.1220382 541.9917645 557.4772434 297.5433726 502.7524127 357.6490665 376.2924784 455.9180866 326.3011643 343.9988546 245.5554525 381.6064464 420.402932 717.8625615 468.2985118 429.168989 651.496223 340.6805377 502.1719614 609.3765408 462.7212872 527.6123911 182.9934609 206.841755 402.6224536 672.590976 529.7838072 363.9087561 492.2170106 565.2199829 453.8658455 433.6923992 572.9483738 477.3636286 184.5636442 447.9727849 229.065537 504.3841726 716.7564559 392.7997789 328.5133756 377.4993159 140.4754165 491.1109049 216.7967058 367.0418382 586.2359901 318.5584248 614.2324123 592.740314 515.4452291 478.9437429 305.2851571 No_result_found_in_bank_inhouse +M179T56 M178.8578T0.93 178.8578493 178.8570104 178.8586556 0.925741667 0.908488847 0.946515815 0 110 0 110 [M-H+HCOOH]- 133.864 [M-H+NH3]- 162.839 [M-H]- 179.864 48 Inf 56.14678748 0 1 1 0.249747201 0.236240128 1 640.573802 159.9815142 0.249747201 639.625091 151.1051134 0.236240128 0.945917019 0.873175224 2.59E-08 348.0003666 966.4563172 618.4559506 0.003295286 0.003182463 0.812332331 0.003512073 0.810685871 0.996694631 0.019608827 0.329174737 0.020691996 0.337850584 0.996694631 437.8208458 615.6804696 616.4374117 432.3569339 532.8567783 634.6185975 497.6790017 530.2446568 666.9534548 491.3025277 682.2248324 662.0207171 684.7467657 569.4681581 710.5588783 692.4089659 755.2674965 712.6468932 687.7934255 420.2117962 421.3801839 799.2350456 482.5622281 645.942009 1098.552303 748.3811357 759.9240376 437.9750802 622.8165304 741.8445283 746.1993624 588.7434855 582.1999633 618.6907449 667.7711437 671.8753899 613.4590315 490.2346818 536.7800393 426.1425623 698.9364196 536.2840497 624.4309592 742.3968187 606.6923463 774.3917839 726.7380463 571.7581418 1004.059604 850.0762104 755.7391088 607.8990336 741.4810768 307.6946856 762.5548149 739.4707246 666.3922136 722.7442897 632.0661661 578.7345136 703.6995842 815.3675753 631.8407485 613.3455637 665.5648343 774.7750915 517.2878986 498.6350321 443.1287118 530.749669 829.5928451 1059.131453 556.3655956 618.5463725 630.0819412 510.7746242 518.7314263 635.5994173 418.1000538 1275.261105 730.5397404 618.8830448 540.1101169 466.5321004 873.0095585 559.9364865 549.3587496 557.4547405 573.6333682 811.1853428 519.5474214 613.4503084 765.0728881 736.1291182 707.4633671 737.5735261 522.6849013 561.1642642 921.8304353 640.99725 989.657101 468.769663 616.6758415 653.6057204 509.3158004 696.2438898 623.3619262 492.7156761 409.5111452 559.5111916 450.8177737 350.3094957 262.5048199 596.4777115 735.4166832 983.0691981 526.4667095 766.9682999 814.6266205 705.20417 735.4201629 582.7838335 889.1609914 No_result_found_in_bank_inhouse +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse +M181T999 M180.9731T16.65 180.9730528 180.9723431 180.9739836 16.65227968 16.34003286 16.90426664 0 331 0 325 [M+Cl+NaCOOH]- 78.0162 [M-H+NaCOOH]- 113.993 39 3.522869883 28.48205264 4.84E-08 1 1 0.108902912 0.087702456 1 2412.970839 262.7795516 0.108902912 2450.714164 214.9336519 0.087702456 0.805327007 0.833548312 4.24E-07 2015.175461 2860.082113 844.9066516 0.702331018 0.700369326 0.812332331 0.70456025 0.810685871 0.974479907 0.448317409 0.949139883 0.450707329 0.949936104 0.974479907 1860.778921 2199.759735 2787.753502 2743.951939 2139.257236 2305.539334 2678.874241 2516.52009 2656.104292 2477.352969 2361.400917 2287.003444 2542.428614 2213.073763 2476.340896 2762.40504 2175.795257 2580.624321 2292.803154 2905.278481 2581.989446 2322.716926 2635.556752 2619.92167 2132.260008 2390.445712 2394.417364 2618.778896 2290.168915 2774.155687 2589.17667 2211.107646 1998.255536 2229.792418 2756.10342 2305.664712 2351.146856 2520.90019 2733.709305 2307.185977 2753.925839 2102.757419 2190.126581 2406.205502 2158.787152 2450.634848 2505.391544 2891.812811 2095.757876 2812.300246 2277.222412 2654.008851 2320.361139 2172.934069 2643.190797 2636.128257 1938.341722 3104.495595 2542.011384 2353.794312 2164.56935 2966.531744 2653.473862 2254.743942 2216.433806 1920.950812 2679.035253 2512.41615 2081.85701 2376.589658 2208.25731 2188.744858 2657.74824 2204.402853 2008.085472 2375.627987 2382.841552 2665.915237 2418.689047 2562.637727 2460.262824 2006.639002 2446.714504 2077.633129 2600.942593 1961.156073 2536.026429 2510.956169 2489.353335 2305.904322 2519.295676 2253.975515 2175.200432 2385.75175 2596.138604 2748.187305 2483.455054 2406.747412 2307.997519 2313.130516 2644.439349 2969.962557 2389.146325 2493.80638 2435.150218 2315.887978 2146.438001 2765.347421 2206.070871 2635.266965 2605.397769 2561.991759 2600.017375 2641.082783 1908.615431 2375.815735 2715.627871 2469.020796 2464.551126 2211.268338 2296.03782 2081.8966 2194.85719 No_result_found_in_bank_inhouse +M181T48 M180.973T0.81 180.9730491 180.9727334 180.9733707 0.806033333 0.7871 0.823266667 0 279 0 279 [26][M]- 445 1257.067353 423.4359215 0 0 1 0.029114909 0.026170641 1 180914.39 5267.305971 0.029114909 180352.8203 4719.94891 0.026170641 0.898874221 0.799443697 2.78E-06 162809.9075 188973.5226 26163.61511 0.641000227 0.640570064 0.850640686 0.643920867 0.847427448 0.897437208 0.62396837 0.891965135 0.625982701 0.890589914 0.897437208 176167.1831 181620.5489 186353.7972 178421.1383 181385.3255 175238.9041 179627.9162 180983.9299 183083.2308 190862.9321 184131.2354 180377.8818 181612.9269 176912.2397 191287.7781 176320.966 189078.5152 175193.1482 173156.1353 168529.0058 173151.0405 179046.7841 184900.7501 184095.7661 188822.7544 186290.6212 180201.7385 176063.2485 178505.095 174490.7847 176717.4253 179319.6626 177819.2154 188223.6018 179110.979 179169.238 184077.2922 179333.0055 193300.0958 183260.2131 186830.1603 168505.3043 187389.0677 181004.9466 178634.1024 192421.6694 178648.368 180995.4152 171713.7562 185791.3273 184368.8493 183576.0929 186456.7128 182174.5022 174288.4384 187218.9002 174342.6349 183715.4403 183506.2657 177769.8512 174710.472 184928.2622 184792.5837 178935.6167 175133.1517 169719.0744 182509.2343 171237.4203 190004.5247 181103.0597 172522.3378 180147.1704 186790.8565 170370.2793 178734.9802 176699.0839 187041.5999 190219.7583 184122.3442 173915.9773 174218.9206 178574.5198 183062.5334 174549.8822 184592.003 179388.4497 185060.9385 178677.2013 180100.9745 180794.3127 183490.4996 175917.3992 184286.3129 181863.7266 179743.7416 186080.714 179907.8113 184659.1077 175698.2225 171819.5366 186778.7064 179960.7976 187443.073 189691.9334 180414.238 182308.9934 172893.2418 179358.4046 178533.409 179252.6155 174939.1664 188914.4615 184499.2258 190533.5166 186049.1058 185018.9503 187285.6341 189371.2005 184392.2855 178370.19 172999.6649 178050.8328 192309.5321 No_result_found_in_bank_inhouse +M181T933 M180.9731T15.55 180.9730725 180.9719859 180.9746087 15.54984771 15.53558531 15.7071863 0 246 0 245 [M+Cl+NaCOOH]- 78.0162 [M-H+NaCOOH]- 113.993 30 4.214957754 64.57716786 0 1 1 0.144744022 0.124048893 1 1606.023825 232.4623476 0.144744022 1652.610995 205.0045639 0.124048893 0.857022564 0.830133095 5.22E-07 1323.53139 2240.640754 917.1093638 0.800950374 0.804347833 0.907981747 0.806659293 0.905542086 0.970545484 0.97271443 0.678594721 0.973061143 0.679778253 0.970545484 1568.637887 1607.758724 1573.965579 1373.758584 1607.94026 2498.026071 1806.945405 1725.875442 1495.074284 1289.737816 1529.554568 2226.637497 1428.939999 1518.580592 1649.161445 1619.973425 1372.566045 1908.466138 2178.453785 1511.819312 1555.727654 1466.203695 1307.597841 1575.684801 1377.973138 1455.787194 1914.797636 1132.561807 1635.112793 1049.103406 1278.691852 2020.755777 1532.043047 1522.313461 1225.778685 1599.605594 1442.857182 1558.712115 1231.336011 1474.742984 1695.187746 1441.429677 1712.89458 1552.131202 1548.831319 1400.390514 1390.80513 1441.300262 1291.254892 1723.975681 1375.203703 1248.051244 1507.183584 1775.449967 1404.156601 1867.726712 1628.40508 1461.202938 1543.617726 1714.924051 1721.177884 1871.767209 1634.474375 1470.203754 1412.309083 1648.364756 1875.801708 1612.212322 1793.471121 1205.491957 1491.672136 1282.458042 1421.119846 1560.200837 1459.807415 1497.220648 1278.743774 1757.333831 1534.627594 1311.349312 1451.650457 1676.201461 1422.3073 1315.442014 1677.74697 1486.597416 1800.691441 1750.439091 1882.529005 1733.572434 1322.683011 1535.606985 1694.945431 1532.762481 1812.578573 1636.613876 1624.396927 1595.495668 1624.4326 1628.484915 1316.01965 1574.588107 1571.239918 1242.421853 1632.963054 2020.23141 1569.976656 1652.932159 1572.913048 1316.121189 1649.105963 1850.282692 1334.172708 1943.806326 1483.757631 1444.59836 1647.983865 1642.056693 1381.49097 1582.335938 1652.232772 1679.938526 1770.414876 No_result_found_in_bank_inhouse +M181T880 M180.973T14.67 180.9730377 180.9722113 180.9739106 14.67437679 14.4544918 14.91968722 0 297 0 260 [M-H+NaCOOH]- 113.991 20 6.225017864 44.09088349 1.22E-12 1 1 0.140704867 0.130275056 1 1313.485803 184.8138448 0.140704867 1332.437584 173.5833804 0.130275056 0.925874554 0.810343492 1.59E-06 1080.620051 1953.223036 872.6029851 0.091061537 0.093024247 0.87036886 0.093374239 0.870403889 0.897437208 0.448317409 0.364837324 0.448648926 0.36824439 0.897437208 1446.62124 1173.10207 1147.298202 1274.222127 1288.280617 1586.177132 1127.029177 1237.947595 1200.232266 1156.390516 1448.275229 1359.125863 1293.186567 1200.415067 1645.14691 1558.924501 1262.481491 1124.002736 1161.06655 1069.101307 1502.931128 1086.934489 1261.436499 1295.696104 1485.033184 1162.117292 1185.950055 1393.513153 1190.79288 1290.11634 1415.313699 1221.035809 1244.297429 1251.910605 1428.223011 1379.221371 1344.808504 1732.45526 1403.572329 1195.192071 1148.177962 1335.73785 1345.744264 1865.341193 1408.032012 1357.250354 1390.591846 1455.542388 1257.824754 1212.819642 1465.241364 1591.642512 1294.427473 1264.714323 1207.584634 1449.692903 1114.75684 1243.828183 1208.996909 1251.625352 1618.704128 1440.798583 1404.159821 1310.47024 1100.978216 1292.814209 1538.523617 1209.327161 1301.465891 1067.954943 971.036555 1402.219383 1360.124833 1155.700454 1334.630445 1198.608906 1315.640634 1315.344556 1093.503737 1341.693288 964.4533078 1216.852977 1528.357555 1242.813385 1020.413723 1630.151119 1250.17557 1224.130977 1409.78565 1595.127346 1182.233889 1642.796097 1444.239026 1177.910685 1380.277729 963.9690786 1486.18316 1444.178882 1323.541363 1177.55704 1425.812086 1242.856224 1077.755615 1280.528059 1504.114335 464.1023335 1428.968638 962.6571332 1413.231319 1095.421498 1285.743331 1095.033927 1232.373192 1423.84949 1387.405884 1837.252885 1166.990487 1334.711249 1384.510144 1393.66798 1380.158853 1259.119291 1423.97614 No_result_found_in_bank_inhouse +M183T52 M183.0357T0.87 183.0356718 183.0349503 183.0361064 0.872441464 0.857066907 0.882716568 0 69 0 69 [M+Cl]- 148.065 33 198.8270933 45.00283649 0 1 1 0.354938647 0.290256594 1 1772.134333 628.998962 0.354938647 1726.045201 500.9960014 0.290256594 0.81776554 0.761327365 1.56E-05 745.2397837 3123.384763 2378.144979 0.237161777 0.242285929 0.9963236 0.243795862 0.996349689 0.897437208 0.7471997 0.560203897 0.750141534 0.559144944 0.897437208 2203.622439 994.4623634 2096.618164 1979.483045 702.8528644 1411.126714 1447.578662 1889.515201 2508.573434 2115.489836 1099.171042 994.6549046 3568.897895 692.1729968 2398.513957 698.0024181 1628.672318 1923.331436 1843.425075 1895.129612 1722.059574 1084.76895 1937.134563 1882.449842 1689.784966 1281.712007 1488.905462 2735.862305 891.8652539 1371.125979 1390.565613 2287.123083 2357.349491 1235.808498 1657.7493 2196.762108 1315.992259 825.1172192 1412.138865 1800.46425 1122.205558 876.8513857 1734.266596 1536.255855 1760.72928 1669.063119 1602.893923 1499.207848 2143.585232 1286.451396 2112.946137 2092.897522 1647.215838 1560.236261 969.7689148 1032.847763 1256.7772 1279.139845 1277.921782 1680.608039 675.1245876 1825.450369 2636.132126 1702.457686 1141.582794 709.3693398 1557.13937 1861.966787 1976.682447 2378.379249 1917.127747 2160.045441 1273.906297 2019.721744 1894.24421 1724.359352 2544.412779 1451.242783 1703.07019 868.7703849 2606.096355 1770.839927 1937.444381 1672.714155 2122.355418 2001.419016 1697.183327 2357.477971 3089.827859 2254.139597 3619.805381 876.6655165 1678.434433 2243.075799 2285.337862 1673.064523 1817.910348 838.5820081 861.967345 937.3795399 982.9244169 1447.353917 2836.426845 1151.55236 1843.830446 1318.53738 2392.294495 1101.518272 2458.344319 2574.438747 949.9916515 1629.04268 2337.996371 2498.975085 1475.25708 1577.236408 1147.25236 1428.456281 897.4933918 1336.275759 698.3169405 952.4768184 2796.250548 No_result_found_in_bank_inhouse +M184T52 M183.9629T0.87 183.9629099 183.9622856 183.9642105 0.872191071 0.852272066 0.890025101 0 123 0 123 751 Inf 44.87227913 0 1 1 0.38849645 0.258491219 1 1469.526 570.9056344 0.38849645 1424.612464 368.2498125 0.258491219 0.665363143 0.782750237 6.16E-06 700.2564336 2649.776743 1949.52031 0.94528967 0.946630407 0.907981747 0.946659897 0.905542086 0.895228214 0.802644269 0.959003696 0.797352852 0.958349779 0.895228214 1296.318551 925.7538401 764.2491229 1784.138801 798.7425628 857.8559603 644.9693003 898.1972755 1138.862389 1578.357524 603.7215596 447.7654055 1125.267752 589.6484514 848.4702734 446.4167583 1147.14623 1507.694707 1382.78822 823.7073646 1470.663463 1104.222554 2428.829952 1227.63457 1306.790898 1965.575539 1415.733204 2132.316704 1918.664836 788.2088584 1655.834961 4100.471389 1373.642401 1599.359341 1111.290645 2959.340922 1265.362855 715.0087882 1009.434854 1058.768436 1444.745944 1080.675356 1151.44316 1999.776025 1165.825947 1138.406451 995.2959846 1344.0149 1830.060858 1811.966592 1270.29831 989.9932898 1292.657797 1215.189511 850.3342219 672.5210524 2238.045235 1101.376035 855.6083713 2319.23137 555.8531921 1530.758497 1286.817483 1326.798759 911.3167048 630.3519354 916.3535829 744.2746157 1430.896282 1232.413437 947.8103326 1510.560461 876.7690174 1207.968256 1224.700428 1597.960127 748.625464 1153.007195 978.0874067 843.965391 1541.768742 1418.322178 1388.375914 1104.125702 1503.322151 1588.985886 1218.743641 1552.528736 1541.056166 1592.747191 1044.89497 1219.752513 1339.953265 1944.618746 1352.504547 1265.977869 833.941827 813.5307058 660.3374082 1298.381294 418.718644 685.9981899 1253.805719 1503.312141 2096.921812 1796.424259 1960.036293 1093.763089 2403.861594 1518.368959 538.4444599 2158.30804 1497.169484 2022.173578 1345.877747 1045.345521 2003.707549 2209.175248 885.9123795 1526.30835 836.5578969 840.8946955 2917.575744 No_result_found_in_bank_inhouse +M187T49 M186.9294T0.82 186.9294397 186.9286335 186.9302034 0.821678074 0.786170453 0.840149929 0 75 0 75 [M-H]- 187.937 16 Inf 35.03307623 0 0 0 0.482400651 0.167529855 1 4248.63517 2049.544372 0.482400651 3937.061458 659.5753337 0.167529855 0.347283641 0.903429463 1.49E-09 2820.04353 5668.29925 2848.25572 0.07936992 0.07473698 0.745030178 0.047984894 0.695696123 0.004499537 0.254001584 0.151341986 0.176569102 0.113039029 0.004499537 4234.965038 6342.974584 1015.111103 2826.408025 7885.957615 3707.272491 4005.094227 2314.474547 2592.643599 3313.722601 3085.966062 2794.293657 1780.642028 2793.393434 3496.467965 3745.829867 4182.29905 3238.103829 8358.402101 3456.334548 7288.559678 2698.357387 6511.994521 1554.16298 4850.434232 3218.821269 3765.634784 2445.354111 5539.975247 3744.929644 2706.618719 4447.103952 2731.278014 4609.822953 2077.724861 4798.191106 3011.247514 4023.098697 2900.760008 5185.018156 4265.258811 2330.678569 5139.580833 3310.121707 3012.287982 2556.634661 2824.342692 3009.447067 4194.141156 2628.13607 3123.815957 2016.797542 12002.68194 3876.362271 3884.464282 2698.357387 4556.931215 3900.668304 2902.320474 3828.650427 5670.50765 6484.112527 4101.418139 3491.066625 7638.39616 6212.442181 3223.984601 2267.735485 3969.085288 3579.221854 9783.481778 5229.398149 4105.019033 2544.490089 3713.46849 3449.105883 3913.805778 2881.139346 3100.369638 4311.170208 5530.072789 5248.302842 3076.313301 4211.245402 5492.752752 3416.348076 3959.18283 4500.217137 3160.68461 4966.092872 8229.318797 3138.179024 3447.04055 3351.531986 2339.680804 5091.04551 3011.255316 3614.39724 4079.812775 4763.082391 7563.248949 3104.195295 3138.273287 2650.854731 3024.67998 4302.167973 6334.375895 4547.928981 5666.006533 4556.124298 4041.103166 3517.261868 2395.494659 2965.336117 4170.735346 3754.775147 2061.511751 6522.119055 4754.396253 2164.468842 5872.157708 2324.377005 2989.642151 No_result_found_in_bank_inhouse +M191T910 M190.9284T15.17 190.9284318 190.9277093 190.9292211 15.16724746 15.14115507 15.20571019 0 313 0 313 [M+Cl+HCOOH]- 109.955 7 3.412938121 43.12755889 0 1 1 0.110735518 0.092555074 1 3134.309235 347.0793563 0.110735518 3147.385093 291.3064597 0.092555074 0.835821023 0.750810613 2.37E-05 2567.528187 3784.395602 1216.867414 0.975939116 0.975977533 0.907981747 0.975955476 0.905542086 0.895228214 0.859653827 0.849414503 0.859809465 0.850205389 0.895228214 3089.935221 3134.69689 3815.762193 3765.867026 3351.505885 3047.521632 2596.18436 2809.862486 3242.774702 3403.934361 2797.843387 3069.309811 3244.724706 2737.026102 3442.763631 3180.574076 3161.879979 3081.934962 3134.475658 3087.564437 2543.624177 2913.851157 3347.306251 3150.389238 3366.358153 3088.501299 2681.113087 2919.085755 3042.353907 3837.029132 2829.264911 2638.421195 2826.725446 3070.481645 3072.149244 2981.514003 2869.537956 3185.759697 3366.861922 3143.905382 2535.23929 3214.238822 3051.703386 3596.225215 2950.253656 3909.993936 2611.299786 3429.267038 3038.045536 3168.748878 3051.937803 2705.776222 2965.747373 3353.098716 2927.193499 2924.540344 3544.020387 3102.514127 3243.917949 2562.695541 3279.981806 2985.803392 3404.610816 2922.935585 2825.703255 3031.229735 2921.859249 2865.354044 3846.14098 3089.21053 2759.538094 3955.048053 2502.725691 3412.214473 2775.388882 3316.459122 3508.298592 3329.989448 2991.727332 2859.413497 3159.906192 2985.815449 3450.4656 3154.806401 2645.208412 3721.004229 3031.669325 4266.484814 3401.95435 3054.463166 3143.356512 2719.170075 2680.199954 3322.564971 2214.816583 2779.854891 3402.459452 3180.508224 3117.83592 2704.547908 3207.243009 3281.788427 2925.786758 3063.888757 2737.100577 2271.313358 2691.682782 2444.855778 3747.792903 2868.980755 2983.698091 3001.265597 3531.253635 2517.996561 2642.689783 3468.384355 2977.270188 2920.231172 3319.03768 3172.946559 2989.432711 3186.588463 3073.169835 No_result_found_in_bank_inhouse +M191T880 M190.9284T14.67 190.9284228 190.9276005 190.9292268 14.66725271 14.43895579 14.69194227 0 375 0 329 20 4.15064365 52.66016455 0 0 1 0.107466839 0.074482793 1 3031.390573 325.7739638 0.107466839 2998.605603 223.3445208 0.074482793 0.693076986 0.877576257 1.79E-08 2393.060027 3658.667812 1265.607785 0.364808166 0.371184624 0.977327172 0.370060595 0.977780827 0.91798044 0.771921577 0.678594721 0.770906765 0.679778253 0.91798044 3020.378918 3222.921815 2841.143742 2935.197844 2450.051592 2821.623079 2612.797 2528.961045 3067.636168 3179.552012 2887.033572 2807.404345 2836.038969 3510.197883 2974.070257 3092.320137 2787.018267 2952.521824 3129.517169 2722.245159 2794.11669 3172.107706 3136.615592 3010.618587 3566.070174 3447.171592 2781.735406 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2603.346576 2878.782813 3347.750396 2850.105062 2899.70573 3142.059737 3156.439057 2666.345079 2920.113696 2688.458602 2704.005071 3347.249636 No_result_found_in_bank_inhouse +M193T880 M192.9289T14.67 192.9288687 192.9280703 192.9298869 14.67308353 14.65289383 14.92215877 0 363 0 317 20 5.42015685 44.65536343 1.86E-13 1 1 0.130119173 0.098627144 1 1680.233104 218.6305424 0.130119173 1691.193315 166.7975662 0.098627144 0.757975487 0.896503735 3.09E-09 1313.630331 2015.458643 701.8283125 0.975939116 0.975977533 0.828852751 0.975955476 0.82588821 0.973919844 0.588714059 0.999878042 0.593491865 0.999878616 0.973919844 1871.40544 1783.484086 1582.359961 1756.044966 1564.134802 1581.867066 1486.539615 1739.501859 2110.80927 1315.18432 1590.681973 2017.240866 1555.002228 1454.516945 1811.242023 1886.572716 1901.967093 1579.965873 1697.681552 1353.023269 1819.241466 1830.743375 2009.844234 1559.747736 1784.110371 1572.996156 1994.039275 1384.397846 1628.307807 2024.836831 1328.783324 1901.034319 1927.760853 1505.28926 1547.768949 2031.689922 1754.033683 1530.935688 1934.688143 1789.358425 1520.275382 1382.234006 1606.266744 1673.358905 2019.572665 1344.753287 1814.402194 1765.470033 1737.24884 1778.690759 1757.721924 1549.354341 1379.845987 1521.760347 1930.527748 1575.821312 1265.519643 1372.517088 1774.438692 1825.242724 1776.988521 1474.707449 1902.964707 1456.474292 1507.481207 1726.873305 1751.68783 1714.410761 2232.936788 1539.014862 1763.687618 1663.98643 1598.942258 1841.948351 1475.798794 1752.205375 1576.423752 1657.534421 2042.386356 1651.118396 1609.904036 1812.17184 1509.38078 1883.674706 1604.199744 1725.864707 1554.937003 1676.79393 1964.781665 1511.534063 1439.869417 1823.667233 1565.932643 1341.849157 1967.952681 1668.957737 1585.576297 1410.954993 2008.628749 1594.623872 1429.521821 1511.282789 1497.166412 2008.171036 1700.286477 1466.01655 1497.138386 1942.670591 1539.964744 1659.085823 1855.063095 1586.799344 1478.004891 1651.331519 1662.937164 1419.791795 1771.786022 1672.908641 1413.416941 1888.16369 1868.123499 1905.453126 1397.520712 No_result_found_in_bank_inhouse +M194T56 M193.8155T0.93 193.8154793 193.8145774 193.8164562 0.929522278 0.845881007 0.96413313 0 154 0 153 48 Inf 55.77797973 0 1 1 0.21022493 0.205304462 1 578.150748 121.5417006 0.21022493 553.1149545 113.5569679 0.205304462 0.976594267 0.911316878 6.07E-10 307.0799704 826.3267722 519.2468018 0.879448725 0.879544579 0.828852751 0.874915149 0.82588821 0.498628159 0.658555572 0.891965135 0.648694085 0.88363401 0.498628159 433.764256 420.8235636 460.3368912 554.3793556 488.3106407 379.9040983 406.7292533 439.4860204 555.8938404 446.1805782 460.3940084 607.4424797 615.1473534 565.6346618 717.9159161 408.6429192 484.7484899 498.575704 578.6879804 651.6323093 800.6936162 545.7171515 592.8538207 570.2545574 567.3649258 517.1071668 583.1498124 627.1613048 582.0583739 738.9480749 577.5324951 616.5004488 428.8913166 577.7234477 393.979167 993.652408 501.9644388 654.5453331 656.8745444 661.9850686 465.902775 641.1775908 549.1263322 711.3917008 576.4342905 771.8158231 763.6008207 563.5393118 534.237697 374.3696877 384.3165671 597.1879547 689.2725645 792.6790924 720.3823957 719.8179764 603.610477 562.8027688 406.5972238 480.0521419 584.5403446 475.0138729 495.3068967 507.7877035 589.1380985 510.1911677 623.6235472 457.7155984 952.9499406 754.9574713 660.3232855 911.6428076 558.1597997 587.9811653 657.7144306 410.9527386 692.654457 622.538159 486.5639787 519.8045632 432.7034772 602.0211777 571.5548414 581.0745697 481.4940113 717.1573063 749.5897815 767.6197864 700.2699481 578.8787808 708.8176745 634.3184582 741.1893534 871.3626404 697.1338049 665.0538087 561.2364465 660.2901556 570.6972835 607.9186513 497.2075203 443.602666 694.3322702 652.2246841 727.7419129 540.4792475 555.5168713 616.3338883 609.5461818 596.5815414 390.4242937 515.7475743 563.3376994 499.8077189 475.1370001 564.0749297 512.867217 614.2287907 452.7564993 483.1054834 450.0735097 700.7043724 592.1887639 No_result_found_in_bank_inhouse +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse +M196T55 M196.0746T0.91 196.074595 196.0741599 196.0751342 0.910004822 0.889752375 0.927904862 0 96 0 96 [M-2H+Na]- 175.095 45 Inf 45.03100198 0 1 1 0.335702068 0.180504915 1 4896.964227 1643.921016 0.335702068 4746.994831 856.8558966 0.180504915 0.537693783 0.982841719 1.21E-17 3042.299468 6434.84018 3392.540712 0.00070813 0.000773369 0.977302209 0.000815442 0.977137807 0.897437208 0.170696644 0.050187272 0.170822229 0.046960903 0.897437208 4072.699285 4671.483892 4361.642443 5433.351466 10832.02219 3132.304198 4365.35642 3061.629212 4071.007526 2848.860907 5138.900156 5352.137066 2365.639926 5520.677978 2978.995822 5845.971496 6434.939738 3033.447878 6732.918652 4685.593023 7909.289944 4495.555675 8550.34261 4978.449347 6037.626091 3500.504222 3943.576157 5623.196483 6438.549795 4171.906989 3621.796155 5148.199143 2972.635377 5711.186746 5180.027944 5297.167112 5152.912221 6010.171946 3288.039994 4446.430054 6790.239804 5724.844696 4373.333975 5727.12078 4372.199246 3007.847587 4097.36168 3809.672172 7021.68935 4837.576956 3828.937162 3636.427469 2553.516351 3893.104363 7247.77676 4017.843525 8535.796133 4338.482544 3913.210481 5276.716939 4997.111022 7969.370109 5138.734827 4274.28148 6893.063234 6454.666651 3129.185749 6387.301925 3940.325637 5429.982673 4443.288733 3927.803973 5196.344651 3344.406005 4356.983551 3771.57668 5863.12306 3230.973233 4530.723197 7339.839843 7360.270141 13331.86866 3815.241102 4374.928069 3245.754265 3491.653256 3672.023712 3436.928881 3968.083025 8173.243015 6192.77478 4623.020404 6055.669048 3672.851398 4187.263565 3527.229767 6052.470482 2061.364701 4261.081412 4690.564376 4954.418751 3532.85846 5220.375272 2214.95088 4390.91469 2873.101258 6633.467565 3527.688402 4474.15584 4087.048916 6072.135784 4821.604531 4913.141439 3814.177398 4326.083445 4271.493526 4582.458253 9026.096834 2441.38179 4769.252551 11661.74382 5634.029835 3307.960659 No_result_found_in_bank_inhouse +M197T56 M196.8335T0.93 196.8335338 196.8318273 196.8351908 0.925748065 0.902741178 0.945916638 0 75 0 75 848 41.03276728 29.03415273 2.22E-16 1 1 0.31647299 0.25732889 1 265.6043255 84.05659508 0.31647299 255.2528275 65.68392675 0.25732889 0.813114856 0.864427794 5.16E-08 101.3345166 504.1059387 402.7714221 0.862165745 0.860632681 0.917465563 0.860312789 0.916454701 0.897437208 0.853760516 0.990076385 0.854180076 0.990475666 0.897437208 192.306497 284.9999458 178.0684229 254.1949552 290.7905509 297.7088578 220.6026115 298.8716129 267.8810138 257.4410129 326.5195194 266.1830618 276.5621885 271.1844374 286.0888106 220.738783 146.9134897 308.7747608 226.4997577 337.856475 224.0855291 451.1284772 209.3056648 250.1213915 381.9985436 401.5343369 230.937842 168.4716044 346.788447 178.4538675 243.8089434 234.3077379 220.328379 332.6252603 251.469663 161.8239931 320.9580318 396.222846 281.6590866 260.9319796 354.3772348 283.5043558 328.638509 286.6026799 206.8282965 191.7424371 190.4602845 294.7504406 327.235839 226.2868433 342.1555848 260.2884195 255.2239255 465.8847342 285.8273931 118.4227595 332.6274323 217.5813821 196.2654505 206.315372 295.9848246 257.3396138 290.048367 221.2087006 230.5537627 225.7278658 287.7729308 254.4234207 217.8377093 98.01298139 170.9890756 267.9236574 250.4890943 229.0652748 179.4245743 305.7649321 283.1479945 219.9113266 155.0909132 381.8189219 234.9092749 269.1207777 748.2205844 138.105437 246.0846666 350.5524594 244.2961718 296.1049046 152.0411901 199.3436423 157.5078925 396.4079281 176.9783075 248.4304264 306.6398612 206.1494074 337.7118219 315.758368 197.0609063 216.9221119 266.9649182 544.3793606 232.4517675 164.8553162 181.9096959 267.0175134 578.3070408 227.0824893 280.7050847 224.5207525 333.3899238 324.3024976 217.7585018 333.6073642 159.6630839 142.9662566 210.5225126 243.0885593 168.2099479 369.536664 273.1971213 180.072564 193.4971083 No_result_found_in_bank_inhouse +M197T999 M196.9473T16.65 196.9472823 196.9460469 196.9491966 16.65472698 16.62235658 16.68104755 0 234 0 234 [M+Cl+NaCOOH]- 93.988 [M-H+NaCOOH]- 129.965 39 3.37650438 22.16270638 6.09E-09 1 1 0.205737725 0.152575486 1 534.9075321 110.0506586 0.205737725 554.6955883 84.63294909 0.152575486 0.741601893 0.808005777 1.80E-06 272.936679 707.0437927 434.1071136 0.543541481 0.548174907 0.946954697 0.54588624 0.94468685 0.924056199 0.772141184 0.875157643 0.771548806 0.875416782 0.924056199 883.6107158 424.6816712 548.2874712 674.6533536 539.3336686 707.5657433 527.0261723 640.9415937 440.5710633 412.0026242 560.2630035 416.889132 745.0549458 561.7296058 537.7683952 548.3325465 336.6730619 583.2274545 509.0318078 713.6505883 466.4966802 623.3878451 331.8703003 397.7163242 461.7939815 453.6349348 414.8558011 482.696936 495.846294 700.567059 533.5556264 472.8754621 509.8562364 359.4837249 569.0723577 660.1930839 535.280476 543.5215272 708.3514574 559.5660278 486.4832743 496.8586402 480.9688765 450.4631325 513.1544306 631.0287681 577.986752 562.2306082 537.3320827 440.1258792 831.1063144 749.3223984 463.8675415 466.0748161 420.6777052 743.9413599 412.6503036 619.6943196 624.7935359 423.176432 478.707667 654.7162975 514.6959612 522.4395022 420.5986706 752.7934509 708.6807336 622.0891274 366.1658936 552.0030257 602.9225186 420.472336 498.3144994 705.1386433 523.7599339 535.8215319 489.3486119 423.0624939 626.003707 494.4485553 490.9166014 786.2182155 431.9444673 501.5346128 392.8260553 446.2576584 521.7538506 429.8301927 463.2211339 475.4895658 529.0966375 516.521738 570.3986705 495.0258802 561.6896985 523.4124637 598.1480106 605.1697973 771.1831176 548.4845105 545.6645459 490.3662686 539.50981 577.7919864 565.4457643 619.4332728 444.0123392 518.8742305 551.1130912 450.6600206 666.0524356 561.6738681 421.9412529 387.8064498 567.9078614 489.2115689 415.3639631 550.5883603 412.6464543 376.2975141 448.4095459 516.2405526 582.750785 No_result_found_in_bank_inhouse +M197T933 M196.9472T15.55 196.9471589 196.945574 196.9483292 15.54915928 15.52475782 15.56881569 0 120 0 120 [M+Cl+NaCOOH]- 93.9879 [M-H+NaCOOH]- 129.965 30 3.306992711 17.02915524 1.54E-07 1 1 0.254921631 0.218115938 1 420.6281433 107.2272125 0.254921631 434.0611451 94.67565383 0.218115938 0.855619576 0.806615303 1.93E-06 256.7752457 672.9483556 416.1731098 0.604265008 0.6056148 0.903553864 0.602225028 0.904127599 0.895228214 0.913940548 0.574037301 0.911952536 0.571032088 0.895228214 332.7184248 472.0551103 630.1916109 279.4235825 348.7694007 397.8278904 314.5413749 580.1963287 506.7078451 271.679418 358.6119635 426.6597497 324.045214 255.6022304 355.8386849 440.8019208 464.6510412 371.8661276 476.8460105 432.2495247 440.8294921 370.1750955 500.328338 335.8526019 612.6069912 663.7200568 405.5659648 527.7653629 407.3707672 231.9610895 415.5431161 388.3816362 347.316145 279.5711681 476.3992996 359.0829741 412.2107941 375.1798857 385.4873288 364.7458274 690.3541232 253.0960778 323.2481139 378.1019017 284.1028978 517.7648847 506.3248796 574.8985728 408.5446536 350.0075068 289.3800481 183.2374164 472.9808843 385.3254281 371.1025879 360.1129228 370.8975015 401.164411 333.8279746 318.6225636 351.218517 366.1842859 595.9001644 482.4625844 610.2175902 355.2556671 298.18364 482.9082868 513.786477 364.8986873 405.0349865 337.898455 295.0969273 336.6002691 414.1783401 298.805096 473.3305318 648.2637674 743.6340403 389.8570148 428.3198939 360.9089189 491.1808999 476.2326165 347.1225315 429.0263702 426.5467134 471.1167483 509.1774341 308.8089581 394.4465406 513.8637694 400.2118352 599.1491367 435.9683664 464.468842 343.6752249 585.3306051 435.3515869 657.3214907 271.9174602 423.2698845 471.8382416 451.2341898 378.5738709 435.4120859 546.1535369 579.0685386 467.609372 335.6428136 608.4014602 315.9832791 506.0853329 473.6520963 271.3374468 346.8975758 255.9922751 448.2872049 225.7388851 317.1356941 471.0009668 523.9995964 505.6375659 No_result_found_in_bank_inhouse +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse +M199T56 M198.8083T0.93 198.8082893 198.806811 198.8092439 0.927558112 0.883951053 0.964287229 0 73 0 72 [32][M+1]- 835 Inf 51.09639182 0 1 1 0.265439412 0.235620038 1 293.7503542 77.97292138 0.265439412 277.7955725 65.45420339 0.235620038 0.887660337 0.878340779 1.68E-08 91.76969043 509.2120133 417.4423229 0.890407325 0.889581501 0.745030178 0.891981548 0.72890136 0.969859104 0.380340133 0.584497083 0.386955566 0.583465204 0.969859104 425.6508348 318.5932617 300.5778138 234.9474932 298.7509335 467.2822697 278.8290598 184.5179387 306.4181383 461.7762365 229.3359301 547.9048461 163.4547429 169.979183 199.0356741 313.650434 283.7800698 248.5666276 294.5970736 229.2910176 319.6032555 338.2594143 247.575962 266.762284 283.6512159 227.5959028 272.4438425 319.1698764 227.6175473 338.3115346 284.9981915 256.9849575 267.3220036 243.2424782 313.163938 209.6405656 208.1058943 395.8468292 455.4898694 201.2266226 307.498145 313.9485087 307.6457778 277.7483807 387.9213121 146.4547063 293.7592388 307.1400334 280.5269687 262.0730627 260.3905831 426.8400827 412.7122949 432.9390702 304.1722246 375.6752054 221.0058601 295.9733122 363.1563637 315.7724722 302.0469035 246.8482152 299.0054915 239.4872501 334.7128461 335.2107286 303.5291166 270.6159496 201.37274 239.7055393 352.4991482 172.4723781 311.2784959 247.6487041 314.8652322 300.7626547 208.3456295 290.548009 182.0792692 146.0754301 201.5302484 210.660815 308.6797835 470.242377 317.1114967 454.3594237 303.748753 228.2955925 251.1849302 256.869877 246.6183412 347.2611464 250.1812994 246.4428547 194.3173646 311.4082255 423.4363051 222.0091296 252.1103645 297.2037768 340.3001427 257.5040469 296.6093861 423.5483866 217.8238401 505.0982601 247.1956364 237.0926093 410.2952423 194.6120338 322.9654897 294.5790053 257.6659104 371.1762491 346.5271849 379.4757177 261.4977525 310.3966255 232.800778 286.2433832 338.1653451 183.5622476 290.7675754 No_result_found_in_bank_inhouse +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse +M200T47 M200.0732T0.79 200.0732439 200.071512 200.0744583 0.788876278 0.771650033 0.805916667 0 102 0 102 [33][M+1]- 16 Inf 52.09658324 0 1 1 0.342452677 0.237981624 1 422.0666832 144.5378655 0.342452677 387.5897524 92.23923857 0.237981624 0.694932876 0.822704372 8.05E-07 181.8262305 642.3934757 460.5672452 0.882970209 0.882623659 0.797864997 0.882024684 0.799360927 0.895228214 0.516587555 0.774750826 0.515934883 0.774092083 0.895228214 264.8948803 462.18518 461.7031022 377.7293897 256.3092531 388.2193525 117.049815 489.7470887 438.8900161 440.1789841 288.8214374 319.6739929 502.7833672 436.1288711 390.1535631 347.7123592 214.9047371 706.5463321 564.3096489 602.0520638 252.4633232 254.6175284 528.9656284 274.2064084 444.4349783 755.7000359 244.0922817 421.5320536 612.0563171 574.8038461 328.1377535 859.956829 444.2879899 452.1026587 435.8227526 752.0032996 241.0172582 342.5483715 255.9322149 365.5741179 615.6802413 628.3991854 684.0332065 557.805309 470.7248646 193.3254354 470.7525003 581.3023693 341.5850815 392.5781977 341.3225198 443.646748 417.7423166 328.61484 331.2802275 300.6211408 730.8340652 573.5521263 235.2191682 452.5860686 163.8361564 343.6000437 404.573594 456.3066748 497.1211158 392.9224066 271.720172 292.122262 426.95259 613.644791 331.0549462 320.8304155 707.7643181 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0.507044165 0.650737349 0.669417015 0.642958223 0.659018736 0.507044165 867.1883056 918.708319 1113.145573 888.1667554 1108.249299 1164.089112 1042.019108 930.1226882 901.1614444 1257.410393 1509.418442 825.1105895 1078.358294 798.1975555 1240.404946 1254.197163 1156.28033 1125.217856 946.8312793 1068.938474 1024.178579 953.229815 1015.253717 827.826107 991.0900541 1131.592371 1201.017199 978.7342678 1300.371354 1136.376804 908.2063602 1164.210146 1010.317458 1148.126611 1058.756124 1283.477208 972.5845292 967.7049474 879.0719205 1140.57966 1019.056697 911.3120014 1075.898275 1382.503642 1174.630512 1101.487802 954.1452332 1102.205217 1171.087874 839.4389634 751.0391977 1033.701029 1074.714257 1166.275755 1316.234652 1276.071898 998.1331989 1091.000858 1080.6452 1186.111824 952.4462076 832.5104806 1613.572773 1342.179197 858.3108928 935.7772129 1231.172849 1080.537763 751.9337792 1209.74401 951.8327597 1040.305928 1009.312898 1017.220101 1222.909062 885.8960035 1306.035197 857.6806936 955.4298023 1235.563629 1314.453838 1352.69868 1040.143982 1270.425038 870.4365686 845.6922101 1470.681672 1214.367141 1036.086145 1405.465505 1217.373374 1040.794755 1032.646488 981.9990717 940.7501267 1232.659328 948.2572558 1060.34405 679.0520198 1014.100775 1016.185559 923.537956 1098.359564 866.4663398 1117.129301 972.503613 1087.380721 916.2368894 1151.506587 988.1243116 645.0342132 938.2022771 1308.450189 1179.823866 1354.651974 964.1875697 1352.417796 1335.176652 969.7187466 1049.878002 1221.5098 784.3288525 984.2818771 No_result_found_in_bank_inhouse +M204T55 M204.0045T0.91 204.0044756 204.0030689 204.0060338 0.908424748 0.891493431 0.926481948 0 76 0 76 45 70.79898862 26.02508469 0 1 1 0.46740247 0.299933291 1 484.8457935 226.6181213 0.46740247 417.3090585 125.1648794 0.299933291 0.64170241 0.805754248 2.02E-06 166.3177061 795.1337322 628.816026 0.002366241 0.002286493 0.827439128 0.002442979 0.823823737 0.914336373 0.020138886 0.2736313 0.021319837 0.271542492 0.914336373 191.7786543 234.8723936 537.5561756 744.5628633 235.7212233 340.1602501 268.5571242 264.5582961 609.0334911 349.958639 375.815473 701.1803154 482.7396437 445.3982442 350.8490641 649.8302225 1191.099107 343.4233271 835.6593866 468.4904291 470.5721474 523.8115266 664.2500959 416.175575 624.7227508 789.3660962 453.7628611 541.4692543 852.0487867 425.483733 788.935546 686.630297 591.7578319 689.9799119 621.6246916 677.0758425 614.4636451 889.4639227 234.827785 417.2902975 540.2046914 741.7242138 634.8094725 921.0741628 608.0976829 410.081877 723.4890608 544.9939928 1037.97279 808.4831769 540.7501837 685.6951988 466.844909 145.0989476 575.6581571 666.3087225 1461.463847 546.7257965 221.9707086 807.9258288 323.4090199 1371.396894 354.9389526 503.0148137 184.6078991 289.2704994 479.2017303 284.6151042 704.6535568 313.2300781 505.2106857 448.4452699 225.2926815 343.0149646 356.1258538 338.2724972 289.244424 372.8928621 340.4432659 752.7221936 530.0602974 521.9522981 611.0714141 344.6527478 394.0961113 441.6025036 276.5354879 255.6719385 1098.306177 388.4935758 315.4748881 250.5645074 648.3416287 742.0295701 292.8020969 786.579719 332.7467517 530.5947373 723.4847354 196.409594 654.7489803 339.8869702 689.0759836 245.6594162 516.8073827 377.2189091 638.0950551 199.0756887 920.5061411 424.9495053 217.9905673 732.411441 393.349375 288.6742333 497.5474439 531.3920228 472.9527276 333.815584 384.4481518 555.8370399 457.1046317 512.4607602 230.1172591 No_result_found_in_bank_inhouse +M209T52 M208.8452T0.87 208.8452204 208.8438884 208.8454859 0.872852476 0.852276805 0.910213049 0 155 0 155 [M+2Cl]2- 347.739 33 1490.525811 53.34584651 0 1 1 0.245242124 0.230183878 1 18946.3412 4646.440958 0.245242124 17926.14575 4126.309744 0.230183878 0.938598452 0.942878574 5.58E-12 6666.864356 26410.65049 19743.78613 0.664534498 0.667645973 0.932203586 0.665130202 0.931766748 0.895228214 0.858375564 0.838977714 0.854180076 0.837982462 0.895228214 15349.85686 28197.20477 16462.28372 16118.48901 23153.42454 20061.78911 20639.21995 14915.09323 21656.13963 9190.642357 12205.06155 21469.39985 22128.8761 24782.84567 27279.93994 17888.24792 19342.21994 17127.22735 19971.77056 19023.91751 19728.57933 18569.29011 18384.31952 20103.31698 20102.98335 21069.21649 27131.37024 19819.82089 20143.61268 16682.88147 18637.69198 20032.06379 20230.33488 19111.71302 20591.81613 13298.09703 8504.937229 26884.98071 19085.14823 17745.17461 11930.26153 21332.98342 16636.12804 23613.47459 16465.49205 27126.47944 18285.58157 26549.08631 21397.46277 19874.66539 17765.3984 17099.11614 19365.62055 22605.11871 21860.57088 20601.48533 8753.745283 12704.07413 8069.268456 14054.46339 17846.60096 18638.88071 10272.20563 22973.5968 19864.31449 21126.8196 19316.20865 20699.8514 25090.51361 17372.43517 19580.96329 20508.17673 7488.230137 21889.61311 17032.26782 19180.36473 19283.80467 18022.81232 13217.75901 22963.39398 8960.140877 19738.97266 17566.73147 25510.81926 20266.72356 9583.789856 27183.40124 24522.78826 23984.89862 20034.98453 16659.03763 24975.84753 20243.67257 10418.77215 7642.678865 20561.05383 20711.15666 9938.54183 19557.9511 27738.32129 19821.74073 18186.17796 18254.35471 19481.82839 20720.87536 23301.78991 19259.49264 29480.4274 16443.33545 17387.53193 789.9432662 17976.24775 9255.56354 13876.77151 24634.96833 19179.86729 6950.465409 22858.58096 19263.77845 17398.27994 23686.6373 19936.19588 19988.62447 No_result_found_in_bank_inhouse +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse +M211T52 M210.8423T0.87 210.8422525 210.8416349 210.8434142 0.872860572 0.85820689 0.902016362 0 160 0 160 [M-H]- 211.848 33 Inf 54.04358157 0 1 1 0.239443258 0.228677924 1 24372.13121 5835.742496 0.239443258 23186.03705 5302.134811 0.228677924 0.955040145 0.941858109 6.75E-12 9104.604827 32733.77054 23629.16572 0.964270498 0.965106406 0.960978827 0.965065515 0.961195795 0.895228214 0.954973042 0.989714906 0.954931558 0.98888698 0.895228214 20400.91704 35454.50778 22158.80979 21021.24062 33261.60248 27888.52477 31416.66305 18783.27465 26865.78874 10309.08323 15051.9707 22718.39127 26502.37193 31618.56972 37710.61048 20272.91645 25308.28312 22534.2095 24482.88712 25975.28935 24838.54086 23310.45798 24909.93831 26056.98787 23222.25515 26200.08814 33855.93615 23301.51774 25206.12413 21896.39952 26218.1865 28578.85605 27177.98058 23317.96077 26839.67234 16091.93672 10686.34959 35443.59372 23032.53493 21355.62712 16589.11257 23788.29141 23057.10766 28056.40977 22092.47859 31025.99386 22282.62457 33107.07225 25534.34025 25238.08113 23444.90157 23553.83165 23942.89917 27675.45809 27756.02477 25491.46129 10756.7521 16319.52072 9324.744672 17803.51817 21232.79488 22894.03813 14601.75824 31304.54047 26152.17704 29138.09737 21983.7871 25883.84356 30741.65053 24213.00254 24811.71877 25376.62252 10101.47254 26458.07484 22513.72221 24560.59189 23583.28485 24774.87903 17122.01972 28685.9832 12157.18907 22226.3944 22229.31224 35588.44713 24423.58201 11540.3436 36261.44375 32921.34292 32882.33747 25167.89437 20770.88379 32664.29781 24033.23159 13480.12764 10222.76939 26721.95951 22663.77515 14055.21673 22166.3347 33918.23188 26439.00162 27457.22358 22679.88274 26558.97338 26446.49819 28958.94399 24728.51333 36311.97769 20543.03869 22224.36817 30729.76404 24374.63205 12121.64662 18336.8077 33358.07867 23716.44166 8998.217861 26851.5855 23790.22124 24041.82929 29867.6697 22908.54917 25696.66008 No_result_found_in_bank_inhouse +M213T52 M212.8393T0.87 212.8392974 212.8376739 212.8400937 0.872848003 0.840138361 0.915111469 0 158 0 158 [M-2H]2- 427.681 33 Inf 52.70314965 0 1 1 0.250234234 0.231639899 1 11810.23055 2955.323994 0.250234234 11149.3554 2582.635555 0.231639899 0.92569228 0.936154253 1.84E-11 4409.54173 17062.10331 12652.56158 0.975939116 0.975977533 0.955954924 0.975955476 0.955848332 0.895228214 0.954571933 0.989714906 0.954462699 0.98888698 0.895228214 10044.43498 17769.3211 10126.94205 10301.4204 15349.57228 12537.08625 15371.13714 7847.694068 12927.14322 5634.043495 7333.992713 11620.92795 13784.72158 15311.07063 16708.42345 9570.945042 11637.34944 11083.88359 12600.10713 11419.68139 11727.33686 11614.81885 12659.2075 10967.09333 12238.77052 12602.18183 16536.58373 12668.81066 10922.24128 10651.2684 12208.93447 13434.14348 11959.39818 12230.19104 12863.49932 7177.63803 4708.75693 19653.02348 11617.17051 10659.15132 7840.036486 11988.80057 11368.84048 13775.30723 11037.69204 17910.79528 11294.13612 15594.18399 14190.1211 12078.93336 11041.01271 10544.95618 11230.75293 14593.27501 12973.77572 12650.72173 5823.590814 7989.360911 4266.246506 7827.594591 11577.72261 11687.99329 6729.010058 15760.85806 11663.56012 13415.44377 11033.91807 11885.9488 16639.31622 11432.12487 12136.23808 13103.45277 4990.47163 11824.49013 11333.34671 12241.42884 12582.19097 11633.60779 7557.741023 14748.45861 6161.049166 11348.25763 11681.16087 16546.7601 12429.99055 5130.026557 15821.13907 14539.24645 15866.24547 11982.18141 10605.78297 15502.09624 12890.57473 6598.494721 5733.918443 11640.34128 12266.61125 7890.044979 9886.0283 15905.26874 11975.67856 10875.116 11762.51364 11582.4967 12329.78806 16804.76925 10903.51982 17252.26738 9519.296436 11878.17801 15560.01653 11550.44844 5851.216347 10022.90475 15668.22891 11408.41327 5657.421844 13719.53104 11841.21369 11590.64887 16057.48516 11338.18193 12782.58186 No_result_found_in_bank_inhouse +M327T880 M327.1818T14.67 327.1817973 327.1795244 327.1853449 14.67099532 14.63062202 14.69347534 0 155 0 155 [126][M+1]- 20 4.96414665 38.75093603 0 1 1 0.157342027 0.13434593 1 729.5190972 114.7840132 0.157342027 723.5378038 97.20435948 0.13434593 0.853846448 0.897353347 2.84E-09 507.3122442 930.8530417 423.5407974 0.479069688 0.480960849 0.917465563 0.481570469 0.916454701 0.896173123 0.701085511 0.823885858 0.70256633 0.82050464 0.896173123 639.9451121 692.9409885 819.607184 680.3407636 765.0015567 886.7134798 651.2489525 711.2009588 976.2578715 610.5476535 773.0320358 588.0333708 747.2763265 512.1245653 694.77543 684.009992 773.3971061 657.6244044 861.7762834 697.486916 566.2729401 762.387887 839.4563167 766.6105081 669.6561249 659.5287568 524.5397888 624.6910706 800.8776975 655.6984992 818.0672994 684.7481978 633.7216882 624.939066 820.0957748 702.9003086 716.0265221 865.5151633 910.8285236 871.9451508 714.6271999 827.7268904 807.3003448 658.0737862 813.3491708 809.7412085 776.9695319 560.912031 587.1971074 644.3954121 742.0489732 848.3803902 551.7301612 783.7129037 662.792033 585.6959428 649.2131335 582.8119738 650.2151888 941.2730022 785.495116 871.8013006 665.0222079 753.2725447 762.1630943 761.8688988 791.9922173 621.2798235 609.7117508 612.5664947 981.1007449 707.7264324 1036.613117 729.4253227 438.3679309 732.6780354 938.4531998 995.1577447 819.5711558 487.716534 834.9199875 695.6102348 935.8362115 755.8750355 730.2233527 663.2146647 628.7876768 855.2564116 750.0493725 630.2535299 773.7693887 722.3954017 671.0846046 727.1324551 658.8221594 867.9998474 792.2531334 698.4681516 592.3296064 715.3545069 618.9606876 724.6253546 645.2671541 784.0696241 655.032123 845.8558358 801.8042047 803.8255244 801.8341492 785.9568681 839.9648824 616.562511 626.18364 662.0069793 649.9730897 572.1985696 556.6073467 819.3857577 650.9589958 633.5375039 663.1456022 874.3908298 634.0002756 No_result_found_in_bank_inhouse +M327T1067 M327.233T17.78 327.2330332 327.2310446 327.2338567 17.78115087 17.77448711 17.79692278 0 83 0 83 [128][M]- [M-H]- 328.24 76 67.1129061 31.07183846 0 0 0 0.596281258 0.134851202 1 6997.929998 4172.734504 0.596281258 6672.274924 899.7642919 0.134851202 0.226153682 0.974139811 1.06E-15 4644.556166 8830.852188 4186.296022 0.435247538 0.437791455 0.975899244 0.43998644 0.975003761 0.915966112 0.878882639 0.6180405 0.882245831 0.622770261 0.915966112 9580.93171 2776.836463 4610.485339 10523.7312 1902.327312 4188.976566 5393.886068 8921.072975 3752.83186 11485.22018 6211.17425 8853.055597 5979.05145 2382.767525 3679.416277 4648.933829 3896.158525 6011.440678 3440.145715 7996.543646 6611.719469 3763.737627 2641.890163 6047.531842 9549.225298 11865.65847 9080.859832 3041.950481 4034.618142 23337.51827 6327.294302 12504.40121 5953.140068 5149.494345 2113.139114 5409.001041 4672.68593 4261.342737 2528.120096 4697.211702 4298.050528 3256.197034 5576.598368 4576.597887 6348.742757 5634.645995 3055.938604 6968.002539 16944.96434 6217.254401 5260.466788 2915.124832 2385.441242 9583.972504 7753.981133 4445.425488 10830.95777 16826.20384 10847.15239 17744.97827 7697.839805 7848.269542 5329.107613 10813.68352 6464.889867 19566.33251 6594.00118 5482.411673 4488.067331 4854.811221 3096.03789 3092.091613 4556.084709 10506.94545 8039.440556 4404.393661 5926.301442 4811.91431 13202.92889 7213.081029 4465.394872 5226.541725 7163.784057 6187.422149 2779.90631 6484.323404 10822.32065 10940.00151 4908.047651 3815.027412 12753.43801 2354.696861 7184.299971 3689.133046 23608.50814 5128.978432 17101.87917 6808.215682 13104.68156 6463.810226 3938.122894 5524.376042 21127.66097 12834.56912 5261.399329 6527.509041 2040.400874 6107.528721 6766.109686 7781.126552 8248.456678 4767.152317 4950.153648 12769.99288 8311.075852 7552.653876 8893.002311 3611.398899 21444.72509 6968.882876 2746.606517 5878.644844 6769.348609 No_result_found_in_bank_inhouse +M327T1164 M327.2905T19.4 327.290509 327.2885427 327.2925023 19.40069257 19.23238136 19.42589517 0 281 0 212 677 3.004378365 8.37436205 0.000141515 1 1 0.447863989 0.18446358 1 597.645402 267.6638535 0.447863989 576.4362734 106.3314984 0.18446358 0.411874105 0.886401669 8.21E-09 381.6769085 936.0928914 554.4159829 0.625294838 0.625438614 0.90646818 0.629031279 0.905542086 0.926511606 0.932121346 0.575755977 0.933537508 0.578321875 0.926511606 649.4718017 215.5684962 1246.249505 872.1569338 867.9531457 597.8783048 602.5792826 1113.531702 539.1901352 1122.303293 663.7227181 1214.805531 430.3385229 271.2245171 431.7247369 459.1743437 275.9136578 165.1460088 401.8219507 366.4910552 239.4975315 928.1709107 397.5368862 1013.972806 658.8259762 663.3828503 417.2609568 358.0426078 828.3872806 886.7932638 546.328089 1080.326689 833.4449084 762.0321541 274.6144806 320.9481553 192.8751526 361.9012051 335.5141527 824.029974 507.263194 668.031846 367.6159445 748.5300014 549.5378024 482.2061286 438.0100466 534.4605947 546.8424759 605.1977943 670.0448762 379.3937378 333.7430539 255.4694694 515.6598472 514.5196243 1110.641582 681.1026723 353.3312085 1056.302607 316.3876591 401.1414455 809.7677863 736.1920006 358.9109101 818.8601961 482.9886365 803.6438457 841.1722759 518.2422155 785.1673806 375.5981461 1362.065121 404.6083994 964.5381132 280.7929096 748.8734118 709.5078033 633.6199187 417.8971139 245.6660215 542.2697573 514.7579375 376.6382017 486.0379189 620.2226704 1091.912273 602.7132553 889.2397871 834.325733 509.5524677 639.7445614 825.9623412 591.2870111 608.1811882 675.8072018 860.3822486 749.1724158 410.4159537 597.1583235 317.8302331 325.3701161 1037.310363 462.3352281 507.1213845 1264.816692 578.5213499 422.1378626 426.2365737 556.6127368 526.6755187 294.6356673 580.8102481 1075.319188 607.1588118 677.7321266 422.3490835 627.5205263 756.0582777 613.1365157 193.9030346 460.2757538 512.6277152 No_result_found_in_bank_inhouse +M328T1067 M328.2364T17.78 328.2363929 328.2345032 328.2374721 17.78198951 17.77111255 17.79697547 0 131 0 131 [128][M+1]- 76 51.09798707 31.39737949 0 1 1 0.576814449 0.146606351 1 1696.091293 978.3299651 0.576814449 1668.471874 244.6085732 0.146606351 0.254165531 0.971498322 3.05E-15 1077.004496 2302.095392 1225.090896 0.637809042 0.639419382 0.907981747 0.643704302 0.905542086 0.926511606 0.78391398 0.760612007 0.785080257 0.760108242 0.926511606 2213.158439 701.756711 899.6678623 3124.041072 493.1360688 791.540363 1644.566658 1343.872002 737.7343716 3212.537142 1322.113425 2554.713332 1882.702726 796.9828177 938.3302001 1210.412256 1098.058648 1461.525125 677.6820872 1923.72363 1908.661517 849.5653096 580.4484604 1501.517912 2000.744292 2560.569647 2546.714499 807.0015743 997.0512003 5259.165693 1372.621824 2649.495541 1454.612695 1208.094265 606.56265 1498.708908 1387.195657 1075.045306 437.5322663 992.7452742 949.073199 766.904445 1364.906798 1042.244114 1371.705634 1490.302833 665.5832368 1688.935594 4007.779069 1762.72568 1275.917792 624.6214947 552.9756771 3381.694986 2055.191962 1227.067677 2882.146301 3951.35434 3413.990786 4734.75917 1675.063649 1673.95045 1678.072718 3036.148896 1466.257877 4465.358589 969.6110915 1472.91117 1287.163599 1074.195903 788.7457728 1011.484422 1024.858423 2304.874321 1919.509646 1190.009851 1560.614356 1554.799679 3291.141241 1644.98397 797.585487 1346.293289 1692.747482 1851.443529 421.0669473 1555.97019 2832.635225 2500.73611 1472.619498 880.9898228 2809.008346 441.4602459 1758.495451 1292.405154 5467.196257 1428.48519 3781.853833 1432.680352 2871.091095 1651.565629 1132.771691 1479.501256 4253.283683 3057.877904 1508.606684 1203.938598 439.258667 1481.082343 1758.861255 1137.816251 1794.543629 1125.129352 1817.451083 3659.678561 2300.570743 1722.715577 2048.063384 906.5885846 5175.702049 1907.328945 750.0982283 1762.189888 1450.740283 No_result_found_in_bank_inhouse +M329T1089 M329.2487T18.14 329.2486548 329.2473285 329.2500913 18.14457818 18.13300555 18.15749977 0 78 0 78 864 15.72893421 34.05038836 0 1 1 0.452866745 0.182259198 1 1224.759034 554.6526368 0.452866745 1202.63382 219.1910753 0.182259198 0.402456572 0.942494712 6.00E-12 700.6632477 1613.977308 913.3140602 0.949586024 0.949715288 0.828852751 0.94905084 0.82588821 0.895228214 0.772141184 0.7412684 0.769035704 0.738133871 0.895228214 1935.629705 836.8586035 777.3684474 1990.815671 272.0612817 848.3396403 955.4162578 1816.771043 1028.876684 1644.813912 721.9438676 2238.881191 1595.166436 535.8911133 994.5785595 1662.963326 1089.921008 1678.942239 995.0639747 896.4855767 1233.56712 929.8214966 533.8672718 355.739552 2105.474498 1056.368153 1252.010548 837.5741095 895.2196552 1595.40277 1267.922478 1964.575592 620.3116841 630.1882521 739.7643351 969.0262037 1212.677025 1052.937176 752.1381073 1020.436966 1206.158091 467.1687374 1056.759051 1010.150939 1412.404727 1848.085198 832.2519356 1477.370949 2235.747147 1189.176378 1673.236684 715.7697689 356.2164184 779.3617045 966.3106753 1028.08344 2133.377417 2479.450698 2237.233175 1998.83476 1481.523945 813.7384097 752.8512179 1473.638442 610.1448806 2161.721138 1267.702847 851.739212 927.2761892 1384.697 499.7587912 1200.071706 797.816007 1204.818912 1029.576744 1091.043119 995.2867027 502.6658066 1594.780768 1832.06207 936.9198009 1086.007199 1561.529533 1558.990589 466.7253539 717.2790185 2244.059464 1984.270519 1483.77233 1134.786997 2372.485348 791.1419122 1429.656634 777.4381952 2137.262152 1128.762714 1913.841999 1083.358312 2198.309536 936.3651251 943.7795131 756.0232206 1889.354258 1713.4387 1846.431289 1421.392015 940.6859964 963.5282934 981.5702058 955.9990631 551.5783843 783.5603188 845.4911335 1563.3414 1335.797695 1723.619856 1148.894889 490.2299101 2492.752528 1241.756487 575.8040568 1525.682968 956.7929817 No_result_found_in_bank_inhouse +M331T1127 M331.2642T18.78 331.2641816 331.2625205 331.265859 18.78495938 18.76742008 18.92457888 0 100 0 99 154 21.14810486 26.46747288 0 1 1 0.433884136 0.207270002 1 797.9591758 346.2218275 0.433884136 751.8172458 155.8291618 0.207270002 0.477708182 0.981651003 2.51E-17 447.097541 1099.764554 652.6670129 0.029267144 0.028533386 0.819596024 0.028818926 0.814503953 0.895228214 0.078631834 0.584909599 0.075173279 0.582994349 0.895228214 1202.367825 549.4782237 667.8549876 1150.492118 301.1598109 670.7776927 845.1864642 1300.444397 670.0119694 453.3107484 404.1408337 1879.695667 820.0552094 559.5350293 1212.530836 1522.755356 1132.58872 1288.069474 643.4461178 327.6713194 779.3259376 811.2854009 456.7034153 598.1881105 1873.360643 614.6326607 667.594479 576.1834026 728.8994515 488.8864051 755.5484295 1168.466522 603.2860735 548.2842023 803.6221637 1593.52584 1046.758441 833.3762405 835.5671551 494.7515993 1387.808385 263.3113961 540.8366353 598.7804145 818.733952 1005.024297 899.4176455 1562.015158 2053.813264 1774.630912 845.5307423 438.6133952 539.0210128 324.7695894 481.6895739 785.6908957 1174.72784 1146.969246 1359.345626 1001.002741 494.1885183 581.9368035 537.9571294 258.806452 646.8545736 627.5010541 516.5278307 576.1824699 839.1365941 974.9663462 804.6576722 952.2349949 762.0974586 578.3582106 726.1221741 777.2046289 644.1914056 379.3730715 885.7373442 1276.289802 523.8854526 951.9328967 1070.233735 613.7714935 235.7752045 502.9143307 1074.326048 742.5259207 1069.873032 464.7171203 1006.474089 878.1334604 676.3343215 683.7377929 754.3482748 798.2541839 1201.427004 1245.687636 976.0029317 421.8550499 917.1763092 747.084592 939.1770782 1653.372834 1294.316793 908.5475777 844.3247565 683.8462537 897.7163067 480.4331446 285.6801785 901.6749827 472.889469 828.4544243 551.7634131 1041.979058 693.8582806 653.9433892 849.7254385 712.010973 336.4529718 1219.521699 558.4508784 No_result_found_in_bank_inhouse +M333T55 M332.9469T0.91 332.9468661 332.9452622 332.9488265 0.908436445 0.889752375 0.924566819 0 82 0 82 [M+Cl]- 297.975 [M-2H+Na]- 311.963 45 Inf 17.34270115 0 0 1 0.311678309 0.247573434 1 2951.233929 919.8356004 0.311678309 2699.669163 668.3663661 0.247573434 0.794323593 0.937558143 1.45E-11 1410.427328 4969.139095 3558.711766 0.000262886 0.000172512 0.715391897 0.000162265 0.695696123 0.843428085 0.000858608 0.192210602 0.000643532 0.180220881 0.843428085 2414.4995 3658.18 2197.404154 1762.215323 3065.535207 2241.821363 2692.637537 2060.124814 2425.626333 2264.55836 1869.111232 1974.733365 3439.548182 5350.284965 2972.150705 4030.535197 4364.864122 3183.87852 3411.64088 1963.340436 2075.631132 2151.988806 1869.515321 2172.450666 4343.404123 2307.698571 3965.962978 3139.148791 3963.044837 4085.654933 2624.607869 2899.107026 2649.220024 3142.64228 2290.730199 4576.795592 2612.470352 2367.155957 1929.403693 2169.456247 2432.270701 2424.610213 2190.916247 4139.848638 2320.674385 3063.60864 2694.976705 4351.559411 4830.411994 3678.643202 4002.539476 2054.670203 2331.653919 1749.685366 3715.726905 3645.205528 3589.090979 2677.796215 2331.664454 2615.743762 2306.681692 4222.130171 2580.725697 3578.296314 3744.980719 3280.578394 2579.69159 2076.130202 4318.852045 2527.788335 3734.039945 4488.453762 2087.530223 2981.442747 1661.902301 2549.248335 2215.370665 2114.558574 2346.053209 2461.564122 2536.11433 2599.142108 1652.419976 2093.247809 3578.33018 2970.684572 2131.836992 3548.935294 3929.626905 3756.997154 3403.655764 1320.604747 4225.623659 2507.544507 2330.288493 2223.355781 2869.651121 1480.792062 3270.098157 2888.872989 6570.752462 2085.612528 3666.166458 4026.993895 2492.853452 2040.509991 2658.544612 2414.499605 2848.498086 2247.31113 3645.31119 2310.692989 3251.77652 1841.500888 2393.863797 4345.899471 2381.072513 2920.476182 2110.066946 3780.952503 2547.421123 3241.699609 2564.050115 No_result_found_in_bank_inhouse +M335T47 M335.0448T0.79 335.0448423 335.0438014 335.0457967 0.788876515 0.771699834 0.8062 0 294 0 294 [M-H-CH2]- 350.066 16 Inf 66.14039654 0 1 0 0.251074294 0.153754528 1 1959.791832 492.0533502 0.251074294 1885.41226 289.890673 0.153754528 0.612386582 0.91939603 2.21E-10 1306.437862 2538.675336 1232.237474 0.437606581 0.440967132 0.93840941 0.43998644 0.936212582 0.895228214 0.781148657 0.680067555 0.778449673 0.679778253 0.895228214 1609.602118 1710.936348 1809.966 1551.966214 1784.383258 1780.439015 1143.135237 2107.361335 2198.699159 1343.701799 1152.551508 1585.69995 1858.771794 1821.106712 1708.111467 1272.138143 1367.020187 1774.02536 2881.077405 1593.05979 2108.89737 1920.755236 3158.446409 1450.271962 1994.962007 2403.151937 1259.896991 1616.510784 3016.031437 1655.380352 1859.481722 2591.357638 1849.355524 1727.317951 1822.638902 2739.193085 1737.301905 1943.518229 1527.288929 1755.648004 2140.318282 2158.209196 3054.643452 1999.074225 1879.434022 1399.257795 3154.066073 1618.656897 2075.346016 1627.714172 1840.817858 1500.349744 1791.139239 1577.225307 2790.982573 1480.703777 1991.541208 1830.522983 1541.443479 1892.670368 1559.334393 2817.068235 1707.16984 1640.314319 2254.255155 1457.638672 1864.764685 2100.878784 1610.182254 3305.048245 1904.667065 1792.857901 3268.387487 2155.816961 1988.73055 2106.711581 1560.50559 1099.437138 2730.718442 2180.808245 3064.054417 2097.945065 2272.147012 1796.624409 2277.427669 2049.922085 1252.363975 1568.750663 1733.535397 1961.841924 2050.45619 2171.391975 1811.000031 1366.300848 1931.277077 1215.110365 1268.490903 1951.992872 1374.775491 1419.031963 1667.873649 1506.873256 2515.473377 1548.572117 1901.568343 1698.695196 3420.142296 1556.509512 2313.577659 1467.013641 1940.693348 1826.60398 1790.03302 1402.082676 1766.492344 1932.742573 1701.520077 1706.228213 914.817808 1526.672345 1492.478872 1822.04834 1601.70761 No_result_found_in_bank_inhouse +M339T910 M339.2T15.17 339.1999646 339.1988746 339.2010875 15.16873469 15.05212763 15.3293984 0 343 1 339 [135][M]- [M+Cl+NaCOOH]- 236.253 [M+Cl]- 304.23 [M-H-CH2]- 354.22 [M-H-C2H4]- 368.238 7 3.690445629 11.11072787 8.95E-05 1 1 0.058926124 0.050625903 1 9179.829042 540.9317456 0.058926124 9129.397038 462.1839726 0.050625903 0.85914192 0.750815318 2.37E-05 8256.783501 10386.30459 2129.521092 0.228701854 0.2322692 0.932203586 0.231294041 0.931766748 0.895228214 0.569533583 0.676135856 0.573697168 0.674640444 0.895228214 9329.203424 8485.190405 8502.9161 8476.450769 9487.439518 9856.924081 9653.673568 8397.930661 10450.77626 8888.929429 9385.758894 8622.476266 10280.16834 9460.921641 9215.289363 9853.021249 9124.838379 8824.01436 8814.717778 8322.794137 9429.521087 8955.193597 9604.998507 9153.668221 9295.403032 9372.036108 9036.036483 8933.808368 10187.42568 10095.52518 9006.165032 9989.701932 9469.840625 9701.86155 9123.451853 9254.692553 10244.14609 8079.507349 9650.862156 9265.075342 9639.697578 8560.941954 9127.517876 8314.575927 8708.544896 8940.188506 9041.73159 10492.47119 8792.050198 9363.951446 8790.411358 8388.240713 10243.34541 9005.231111 10091.39438 9252.213748 9513.195133 10445.59348 9448.563971 9851.951694 9525.475357 9472.544922 8842.384061 7926.865248 8054.707672 9134.398032 8573.260846 9084.965948 9077.425101 9035.177973 8660.785211 9311.365401 9604.483497 8867.449183 8916.553349 8552.568231 8678.029386 8633.91889 9563.239612 9261.497696 10490.27098 9456.698676 9862.995426 9213.061429 8751.700219 9848.513749 9083.19183 9814.739951 9357.845954 9261.805806 9605.626253 8410.419364 9205.533517 8765.250213 10644.36082 9132.327642 9358.314139 10220.27295 9606.060414 8682.389686 9535.389736 8779.614748 8991.905529 9527.63552 8883.394294 9377.72004 8936.745007 10242.9586 9933.454933 9433.086085 8686.099676 9829.292562 8566.791496 8982.848932 8505.279686 9143.048291 9146.155945 9371.564226 8974.919263 8958.637213 8494.210634 8172.487169 8814.583237 No_result_found_in_bank_inhouse +M339T880 M339.2T14.67 339.1999718 339.1987364 339.2012131 14.66909473 14.64901806 14.7516127 0 339 0 338 [139][M]- [M+Cl]- 304.23 20 7.474257705 25.37562328 4.07E-09 0 0 0.102220461 0.08380184 1 18616.09562 1902.945883 0.102220461 17915.10227 1501.318536 0.08380184 0.819814731 0.926369247 8.43E-11 15213.41686 20226.28481 5012.867948 0.635158467 0.639419382 0.94388693 0.64153341 0.943247809 0.897437208 0.97271443 0.661053309 0.973061143 0.664676869 0.897437208 18133.02891 21151.22813 22537.56025 18916.93224 15323.55626 17092.35309 17036.37221 20397.2613 19695.74434 16188.97905 19281.06258 16474.1752 18524.63716 19030.28666 18863.10271 17455.97114 20088.03218 17921.4637 18243.07426 17870.82208 17944.18565 18418.33168 19521.50239 19654.64368 19832.61827 18569.13457 19284.3407 16764.9342 17510.06006 17843.60843 19658.71944 18587.74091 16227.49692 17177.94392 18821.83131 18214.85514 20716.87767 19640.83588 22328.33821 16512.23746 18014.89003 17098.65642 20737.43562 17263.38178 19033.77051 18725.42181 18173.78645 15054.75069 18721.32416 17312.4438 16338.33863 19412.81562 18567.77599 19204.02684 17762.47504 20044.55747 18402.52732 20169.43219 15416.16305 18393.5125 16994.57622 19354.39648 18619.70255 16424.18392 20575.91865 17198.63898 17858.59482 19510.63371 19090.11228 16885.84823 18191.44805 17921.4637 18069.79848 21342.00578 15762.29875 17427.92349 19101.69974 19422.32571 19393.33807 18293.52994 16310.26937 16509.41496 22522.61581 20147.3049 16709.23223 18101.76012 18318.93534 19008.9789 19667.88034 16407.62644 16994.535 20514.45397 18700.91728 17593.65204 20516.09303 16407.62644 19031.05334 16890.49602 19808.83936 19021.27184 19609.81039 18066.45826 15846.531 17919.73113 18627.55371 20721.79485 22302.52511 20412.83235 20549.69372 15695.7281 17894.41924 16520.38897 16960.15599 17434.66338 19596.58131 15176.74878 16149.64165 20169.43219 17167.07525 17096.42885 19178.62143 18072.25707 17752.64069 No_result_found_in_bank_inhouse +M339T1075_2 M339.233T17.91_2 339.2329666 339.2298641 339.2343566 17.91137004 17.89862444 18.20880923 0 203 0 188 [142][M]- 12 75.6043056 26.08575831 0 0 0 0.687058991 0.233437327 1 209310.0808 143808.3729 0.687058991 195418.4027 45617.94955 0.233437327 0.33976315 0.853989552 1.11E-07 111298.2773 329574.6751 218276.3978 0.997345783 0.997340401 0.828852751 0.997357946 0.82588821 0.927138791 0.663810057 0.993331005 0.665499583 0.993591413 0.927138791 175653.6429 82810.91047 97153.78029 169197.8021 174998.4786 151500.1816 170841.2953 107426.6657 55695.43457 91878.25923 168107.1131 213286.9481 196485.976 131603.2565 259993.4884 98601.89448 88076.19346 195516.5677 98595.46227 97836.21354 186716.1865 398450.8434 391683.2876 393805.1763 419582.8956 436584.7236 355694.3723 202603.6333 449729.6776 660094.8743 242605.5771 529130.9764 332658.527 374256.1912 166548.2244 525001.7481 143406.591 283493.7478 159218.4682 286505.072 442057.3749 459990.9766 282888.0644 314399.3845 343845.0507 423693.6265 327018.0058 362741.7448 550698.7318 472164.7671 339065.7915 924629.1447 359095.7083 487275.9862 412370.9382 401234.0133 397828.9127 432215.4013 401848.1244 431618.4262 266281.5662 233473.4401 397283.3388 485853.8869 359000.2799 422182.2514 306110.8337 310291.1549 332872.2477 162980.2006 90785.88764 164914.8292 106737.7096 273575.5781 156299.4797 164051.1644 149661.0629 287885.5242 294171.6669 395231.8004 91683.47581 261087.3416 192431.7041 175786.63 147395.5626 135950.7144 287678.8861 214632.3966 93468.99053 181467.1281 254370.5927 135900.215 218596.8406 210109.9944 116177.4914 330424.6057 214445.4644 390580.4443 254666.7028 332457.4312 260687.2751 283101.8119 402919.501 528049.7047 555048.6789 432777.2072 332389.5236 332469.1542 676793.0441 376622.9988 214047.1445 409510.0472 310387.387 280634.2189 398763.1517 295096.1607 276998.2617 292329.3404 366699.3284 176693.4351 275740.2854 307899.3895 476724.3156 No_result_found_in_bank_inhouse +M340T880 M340.2033T14.67 340.2032591 340.201686 340.2044431 14.66798337 14.445066 14.68689021 0 352 0 329 [139][M+1]- 20 7.601814833 31.58726047 1.01E-12 1 1 0.099900435 0.076923227 1 3904.621504 390.0733853 0.099900435 3991.610407 307.0475551 0.076923227 0.769998926 0.964997443 2.83E-14 3487.301293 5263.013874 1775.712581 0.197489005 0.194626803 0.828852751 0.194713222 0.82588821 0.895228214 0.308320103 0.823885858 0.302944209 0.823644787 0.895228214 4058.504067 4040.209787 4453.159174 3911.081398 3507.266902 3779.522732 4006.027223 4311.788705 4063.040158 4156.048571 3447.924344 3792.998895 4644.1688 3682.549465 3910.664509 3679.34521 4255.037815 4061.020627 4076.180523 3919.988381 3892.555461 4077.231615 4062.834766 3927.368161 3631.845155 3793.964812 4223.33084 4075.651762 3694.19861 3288.602089 3914.632016 4164.143241 3549.038783 3807.851438 4319.249246 3381.59566 3646.505957 3908.337083 3942.291601 3878.007892 3592.819884 3922.885339 4269.859499 4134.301379 3699.875479 3914.361195 3852.915434 3152.061412 3802.083678 3670.139998 3438.14967 3531.310664 3839.53486 4138.506531 3753.578939 3980.441805 3503.814856 3763.40864 4164.572617 3949.045405 4196.567999 4065.069394 4217.42338 3797.42872 3982.564926 4111.846437 3322.842027 3803.110334 3876.585364 4117.964677 4036.027409 3981.729156 3927.26078 4123.594686 3773.310146 3730.351381 3874.485563 4497.41864 4114.094383 3838.452251 3960.676379 3873.72172 3881.033485 4000.223802 4174.84278 3970.545846 4163.964935 4127.427072 3919.144182 3141.600009 3663.697703 3695.063897 3137.758315 3711.731021 3498.207519 3664.15374 3624.598778 4001.277331 3754.301595 3522.457105 3758.144327 3719.193022 3867.539956 3802.113944 3564.478272 4258.880472 4314.446996 4186.171878 4312.213055 3740.243293 3906.219418 4192.628815 3806.527384 3645.548657 3880.612811 3256.730442 3713.034233 3557.364877 2683.662333 3969.249297 4036.851519 4064.811742 3779.114017 No_result_found_in_bank_inhouse \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/in_test02.tabular copy Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,607 @@ +name namecustom mz mzmin mzmax rt rtmin rtmax rtmed npeaks Blancs NetCDF isotopes adduct pcgroup fold tstat pvalue norm.b1 norm.b2 CV.samp CV.pool CV.ind sample_mean sample_sd sample_CV pool_mean pool_sd pool_CV poolCV_over_sampleCV poolDil_correl poolDil_pval minpool maxpool diffpool pval.BH.status.sans.cofact_status pval.BH.status.cofact.gpeIMC_status pval.BH.status.cofact.gpeIMC_gpeIMC pval.BH.status.cofact.gpeIMC.inter_status pval.BH.status.cofact.gpeIMC.inter_gpeIMC pval.BH.status.cofact.gpeIMC.inter_status:gpeIMC pval.BH.gpeIMC.cofact.status_gpeIMC pval.BH.gpeIMC.cofact.status_status pval.BH.gpeIMC.cofact.status.inter_gpeIMC pval.BH.gpeIMC.cofact.status.inter_status pval.BH.gpeIMC.cofact.status.inter_gpeIMC:status GP001_T1_C18neg GP002_T1_C18neg GP003_T1_C18neg GP004_T1_C18neg GP005_T1_C18neg GP006_T1_C18neg GP007_T1_C18neg GP008_T1_C18neg GP009_T1_C18neg GP010_T1_C18neg GP011_T1_C18neg GP012_T1_C18neg GP013_T1_C18neg GP014_T1_C18neg GP015_T1_C18neg GP016_T1_C18neg GP017_T1_C18neg GP018_T1_C18neg GP019_T1_C18neg GP020_T1_C18neg GP021_T1_C18neg GP022_T1_C18neg GP023_T1_C18neg GP024_T1_C18neg GP025_T1_C18neg GP026_T1_C18neg GP027_T1_C18neg GP028_T1_C18neg GP029_T1_C18neg GP030_T1_C18neg GP031_T1_C18neg GP032_T1_C18neg GP033_T1_C18neg GP034_T1_C18neg GP035_T1_C18neg GP036_T1_C18neg GP037_T1_C18neg GP038_T1_C18neg GP039_T1_C18neg GP040_T1_C18neg GP041_T1_C18neg GP042_T1_C18neg GP043_T1_C18neg GP044_T1_C18neg GP045_T1_C18neg GP046_T1_C18neg GP047_T1_C18neg GP048_T1_C18neg GP049_T1_C18neg GP050_T1_C18neg GP051_T1_C18neg GP052_T1_C18neg GP053_T1_C18neg GP054_T1_C18neg GP055_T1_C18neg GP056_T1_C18neg GP057_T1_C18neg GP058_T1_C18neg GP059_T1_C18neg GP060_T1_C18neg GP061_T1_C18neg GP062_T1_C18neg GP063_T1_C18neg GP064_T1_C18neg GP065_T1_C18neg GP066_T1_C18neg GP067_T1_C18neg GP068_T1_C18neg GP069_T1_C18neg GP070_T1_C18neg GP071_T1_C18neg GP072_T1_C18neg GP073_T1_C18neg GP074_T1_C18neg GP075_T1_C18neg GP076_T1_C18neg GP077_T1_C18neg GP078_T1_C18neg GP079_T1_C18neg GP080_T1_C18neg GP081_T1_C18neg GP082_T1_C18neg GP083_T1_C18neg GP084_T1_C18neg GP085_T1_C18neg GP086_T1_C18neg GP087_T1_C18neg GP088_T1_C18neg GP089_T1_C18neg GP090_T1_C18neg GP091_T1_C18neg GP092_T1_C18neg GP093_T1_C18neg GP094_T1_C18neg GP095_T1_C18neg GP096_T1_C18neg GP097_T1_C18neg GP098_T1_C18neg GP099_T1_C18neg GP100_T1_C18neg GP101_T1_C18neg GP102_T1_C18neg GP103_T1_C18neg GP104_T1_C18neg GP105_T1_C18neg GP106_T1_C18neg GP107_T1_C18neg GP108_T1_C18neg GP109_T1_C18neg GP110_T1_C18neg GP111_T1_C18neg GP112_T1_C18neg GP113_T1_C18neg GP114_T1_C18neg GP115_T1_C18neg GP116_T1_C18neg GP117_T1_C18neg GP118_T1_C18neg GP119_T1_C18neg GP120_T1_C18neg GP121_T1_C18neg GP122_T1_C18neg GP123_T1_C18neg 'BiH_2018Mars23_C18Neg_BW_6-4_Comb_DM_VM_AnovaT1.txt_(DELTA_mass(0.005Da)#MASS_Result#DELTA_RT(0.2)#RT_Result#names#M#composition M-H#Masse [M-H]- Th##Masse exp#Tr#Delta Neg ppm' +M45T49 M44.9981T0.82 44.99805094 44.99782941 44.99831364 0.823043737 0.803148718 1.012386919 0 321 0 319 '[M-H]-' 46.0035 16 4.572152893 51.77661523 1.33E-15 1 1 0.137636624 0.119086233 1 2862.129963 393.9339042 0.137636624 2874.934366 342.3651039 0.119086233 0.865221988 0.820442296 "9.15E-07" 2142.517968 3922.653719 1780.135751 0.870450776 0.872776752 0.864302739 0.863835953 0.860184011 0.469730133 0.906045885 0.640122634 0.90300562 0.623755363 0.469730133 3312.842547 2315.145125 2209.551608 3029.9656 2356.716158 2732.511712 2673.801201 2574.397706 2531.779767 3056.284589 2159.385171 3398.75192 3654.53852 2752.946548 3033.964432 3229.043828 2027.496626 2691.313709 2670.554606 2649.418418 2794.199676 2115.653392 2500.623626 2622.303816 2415.884279 2739.904966 3626.933984 2551.131353 3014.942516 2575.157235 3030.890832 3264.19169 2394.123376 2952.397493 3200.140033 3217.342811 2825.014137 3057.487385 2724.052462 3467.911958 3067.476066 2646.397111 3173.064869 3135.03866 2701.632921 3107.956898 3117.198107 2748.475284 2685.986855 3008.414164 2884.233742 2469.071033 2886.644352 3086.894542 2613.352535 3521.660036 2439.757536 2722.900301 2094.572883 2262.70212 3517.671061 2760.854938 3866.190061 2636.692884 2644.513247 2478.422548 3106.88111 2707.327209 3579.880674 3252.80236 3381.878351 3103.35966 2370.825046 2916.229303 2494.415535 2587.80619 2533.667097 2968.641183 2832.19156 2775.037537 3333.119163 2834.181106 3118.451087 3173.902699 2945.299149 2560.996294 3060.898513 2506.395786 3169.036174 3164.507886 2589.375343 2459.448343 2910.359684 3300.07033 2906.106031 2748.18077 3186.160215 3604.599947 2372.778382 2630.116491 2646.022336 2907.705448 2714.602611 3151.780325 1992.747397 3064.985156 3155.174922 2676.065352 2849.372262 2900.548442 2864.056215 2859.042055 2485.234675 2142.656254 3465.98803 2910.097019 2391.732974 3384.899182 3484.3403 2852.475534 2553.859249 2534.000636 2791.453732 No_result_found_in_bank_inhouse +M79T56_1 M78.9187T0.93_1 78.91872652 78.91841749 78.91899069 0.925566005 0.891536313 0.945532562 0 187 0 187 836 514.0660129 41.98632341 0 0 0 0.400594149 0.100570673 1 3279.32217 1313.677274 0.400594149 3157.056206 317.5072671 0.100570673 0.251053774 0.917198038 2.94E-10 2461.010549 3814.815442 1353.804892 0.890407325 0.892301966 0.917465563 0.894174936 0.917754402 0.930722271 0.963117998 0.790951905 0.962082819 0.795223727 0.930722271 2380.230158 2325.683411 2155.514337 3552.769698 2234.796587 2190.665415 2891.390187 3385.746559 2278.965885 2498.113555 2140.512125 5096.457439 5628.187832 4878.159179 7054.346506 2684.134251 1898.158228 2494.715917 2735.507128 2967.755324 3088.273307 3852.80926 1717.381254 3129.701363 4240.726516 3626.838042 3355.167814 2276.032319 2951.698267 3427.367628 3791.294873 3809.601936 3230.304607 3620.561064 1547.90284 3599.797771 4289.518345 2212.711938 2326.248145 3550.258907 3419.722942 3395.939474 3570.345238 3634.623564 2446.766128 2415.720826 2206.985558 3128.375458 4899.394418 3688.352429 5694.474683 2347.589871 3265.284094 4028.749606 3711.919835 2446.766128 3293.160915 5514.366949 3261.732761 4226.662036 3127.526049 3613.02869 3998.170861 2772.472847 3788.366697 4405.887456 3218.834455 3500.043081 3369.607777 2496.981954 2395.294906 2414.871417 1960.437295 2962.733742 2809.575472 3355.672581 3520.129412 3620.561064 2363.906842 3931.916914 2216.109577 3875.006473 8918.33072 2113.331018 2891.176189 2839.576203 5235.760609 3292.311506 2674.790746 2455.553898 2183.133041 13818.19494 2745.550294 2327.382231 5054.83637 4351.201334 4176.701338 2935.559485 4029.599015 4010.912005 1822.834488 6475.330779 4199.29846 2086.467576 2790.744537 4164.655138 10757.48535 5164.410205 2324.834002 3650.690559 4082.262409 2271.010737 1921.364455 3237.949293 2904.131331 2668.971159 2903.281921 3683.039909 3658.222933 5294.003469 3152.158926 4449.207345 2835.329155 No_result_found_in_bank_inhouse +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse +M81T55 M80.9167T0.92 80.91668543 80.91632207 80.91694323 0.919515967 0.889752375 0.95420501 0 194 0 194 [M-H]- 81.9252 [2M-3H]3- 122.891 45 483.2838334 44.48581332 0 1 0 0.377288578 0.095774421 1 3404.062863 1284.314038 0.377288578 3291.874794 315.2774008 0.095774421 0.253849244 0.907589047 9.38E-10 2663.956355 3927.719176 1263.762821 0.964270498 0.964678143 0.907981747 0.96483897 0.911249084 0.926511606 0.944941885 0.825522489 0.946402346 0.826905887 0.926511606 3134.415039 2576.419539 1978.109736 3412.954187 2788.28495 2542.20308 3427.284644 3772.735877 2423.26382 2694.689789 2072.707397 5539.131836 5435.326293 5280.468844 6231.736032 2897.195684 1977.505041 2288.827133 3007.759788 3121.436584 2864.892249 3792.437996 1336.676221 2792.719376 5699.0681 4546.822097 3767.630687 1897.390136 2966.966622 3354.96111 4285.082151 3295.400553 2749.145155 3990.346806 1611.203391 3323.479102 4501.076407 2363.703263 1973.366133 4010.632417 4957.140104 3821.235188 4000.402553 3285.190172 3157.917602 2227.564846 2055.217647 2809.556578 5340.029401 3308.597138 4386.276189 2432.864392 3033.730931 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1662.902048 1311.118496 1571.096948 1795.122482 1676.858461 1929.629548 1566.397545 1639.022133 1752.892271 1608.716416 1930.471984 1451.346156 2317.439053 1972.434654 2958.011686 1541.351994 2924.211269 1736.843687 2219.449601 2030.174472 1568.205118 1123.9132 2438.024983 1647.475223 1419.220238 1913.084265 2012.861551 2076.258799 1502.66765 3191.072163 1673.962605 1738.571032 1562.896327 2460.804191 2117.946293 1317.093306 1946.152572 2011.703123 1686.363633 1428.620648 1581.850141 1603.750915 2040.69921 1405.55603 1831.384555 1251.859951 3283.899366 2645.634963 1987.890001 2033.440443 2486.157006 1697.147412 1995.157713 1804.748774 2698.888201 3091.130178 1787.915679 2289.07465 2350.977001 2955.829036 1860.488959 1809.794197 1840.079192 2231.533329 3155.588274 2800.144185 2246.2301 1617.082038 1669.127059 1856.275261 1698.084404 1666.577776 1374.180473 2292.868776 3385.707269 2304.391406 1880.37192 2045.928413 1801.339642 1815.145147 1805.482328 1844.846763 1921.624883 2568.329916 2317.161836 1944.42507 2145.030624 1831.643716 1638.736758 1960.543491 1637.300277 1936.413669 1701.087032 1886.141034 3439.027528 1812.779312 1375.789683 1810.88217 1695.583625 1823.946767 2888.197576 2025.928778 2730.283155 1830.0127 1904.724138 1476.43595 1636.061406 2079.066734 2114.342951 2021.353504 1620.151268 2103.345442 1905.704217 2233.962623 2055.609592 1836.099068 1930.638818 No_result_found_in_bank_inhouse +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 +M109T54 M108.9018T0.91 108.901834 108.9015097 108.9022518 0.907827918 0.882608587 0.926471216 0 270 0 270 [M-H]- 109.907 [2M-3H]3- 164.856 45 202.7364052 44.28468455 0 1 1 0.15580707 0.102341202 1 5292.411059 824.5950597 0.15580707 4911.648756 502.6640356 0.102341202 0.656845686 0.973587696 1.33E-15 3964.829968 6274.78069 2309.950722 0.000131485 0.000138533 0.907981747 0.00015843 0.905542086 0.996694631 0.111794976 0.041253508 0.119568612 0.046928505 0.996694631 5838.743337 5469.182623 5197.869237 4415.338757 5860.733401 4323.551052 5165.565243 3484.146272 3767.218452 5293.208322 4917.10002 5122.95772 5141.787445 5259.43899 5518.128965 5101.454693 6315.74013 4521.185993 4778.341751 3836.828251 6012.907138 4186.70796 5219.614498 4452.75502 7190.860999 4075.987318 5597.942092 5182.446621 5866.163742 6014.525501 5039.261109 5491.141113 6448.218099 4686.174151 5410.12734 5404.427468 5155.984156 5818.317644 4654.899562 6107.460579 4326.469793 5945.444687 4126.739057 6116.708825 4983.881798 4626.066297 6217.988577 4163.712025 4904.584678 5417.113299 4427.47175 6800.0505 5553.645623 4997.259932 5005.009988 6207.019527 5462.355247 4981.924453 6420.539657 6249.327311 6128.49383 6555.937957 5495.166053 5304.955381 5482.282959 5297.270513 6856.161009 4110.969907 4231.222141 4739.264696 8475.29639 7499.430572 5831.624392 5522.767532 4654.545832 5031.147805 4868.6021 4538.044193 4815.594406 5204.803632 7290.55439 5164.097006 4188.781122 4015.578167 4658.721583 6439.30199 5267.322481 5244.332504 7503.869104 5625.105696 5284.427406 4448.605687 4972.906928 5690.053812 4736.086012 4682.200302 5256.155444 5162.071968 5393.712365 5126.108142 8469.681729 3992.985267 5487.088729 6096.478175 5192.081337 3959.649258 5384.613456 4705.524843 4343.693304 5403.969936 4586.745563 4218.754028 4824.414774 5883.91421 4991.386117 4989.282101 5707.32354 6079.735636 5186.205715 6600.290082 5690.384648 5975.411744 6108.722861 No_result_found_in_bank_inhouse +M111T55 M110.899T0.91 110.899018 110.8984583 110.8993626 0.908387293 0.882608587 0.926481948 0 253 0 253 [M+Cl]- 75.934 45 397.6935431 42.38811899 0 1 1 0.159709618 0.112030049 1 3756.974107 600.0249013 0.159709618 3569.614654 399.9041049 0.112030049 0.701460877 0.968406692 9.32E-15 2742.3692 4714.5825 1972.2133 0.006952268 0.006699686 0.787240672 0.00630681 0.792975851 0.895228214 0.020138886 0.453568585 0.020691996 0.450570565 0.895228214 3774.273789 3808.035832 3493.368562 3167.372646 3911.189279 3071.970042 3302.749088 3210.471747 3512.70336 3600.544812 3086.179949 4214.339391 3429.814358 4086.355651 3553.571348 4392.505592 3732.230242 3130.977881 3524.759156 2370.792624 3395.220034 3254.569664 3846.901093 3287.105699 4534.593341 2646.104138 3880.938378 3718.952716 4115.198369 3961.928378 3597.835353 3739.424696 4767.383718 3834.80286 3371.804528 4278.594742 2845.358841 3944.544917 3368.024435 3790.813051 3223.504976 4357.980743 3734.147526 4445.527867 3197.884478 3634.4365 3638.174181 3283.626589 4109.073099 4513.65945 3918.583436 3920.022433 2865.219236 2656.399669 3494.823343 4154.520572 3987.917793 3634.685532 3892.205306 3403.6808 3674.455657 5280.863463 3985.318601 3999.977266 3910.975417 3737.318269 3685.4327 2902.589591 3201.44769 4101.286646 6552.216703 4326.699518 3582.81409 3206.491829 3363.910046 3873.459454 4096.501128 3860.371314 3911.756947 3963.058869 4723.741682 3539.622538 3037.543668 3215.313923 4315.506885 4834.865791 3716.412905 3942.286488 4823.256402 4057.189507 3860.037924 3150.605826 3937.87307 4343.232659 3943.189119 3479.428384 3540.476098 3157.170808 4614.592108 2995.171853 6201.503845 3027.261537 3914.29652 4641.396272 3384.593477 3514.229832 3304.429601 3141.193399 3849.351594 3772.79041 3594.841224 3037.099858 4007.048526 3514.2922 3689.156353 3352.655115 3981.543497 4343.534689 3933.159668 5103.857338 3933.632768 3678.388192 4162.384385 No_result_found_in_bank_inhouse +M113T55 M112.8963T0.91 112.8963412 112.8954733 112.8970547 0.908404918 0.857207356 0.926481948 0 137 0 137 [3M-2H]2- 75.934 [M-H+Cl]2- 191.841 [M-2H]2- 227.819 45 43.50952723 33.6323776 0 1 1 0.22628706 0.20944969 1 795.0259835 179.9040926 0.22628706 802.3571693 168.0534601 0.20944969 0.925592871 0.9831513 9.90E-18 439.9161727 1244.968316 805.052143 0.447293743 0.437791455 0.715391897 0.435286281 0.695696123 0.843428085 0.105588185 0.902843964 0.098405971 0.901901873 0.843428085 799.0869131 636.644564 716.6493899 560.3486364 801.690367 892.9921782 521.6648381 1066.155298 744.0661659 504.5788918 1184.583223 747.4574669 842.2072533 775.936639 625.1073266 928.0275974 1070.856699 701.9073804 1156.53256 484.2496776 746.9188157 714.1279484 509.9207588 534.3632498 1203.245794 927.1983975 900.4607792 861.7779449 524.8507459 742.1549517 632.142353 828.2091836 562.1178229 887.1747823 833.1777224 795.2389112 724.5839378 724.5857509 665.2427028 777.1305405 825.764389 685.036877 785.4814957 551.7723412 696.3405585 1170.816751 1057.612705 1120.791565 566.3446979 753.7434614 853.3640379 700.3188632 711.5500741 481.8045983 900.8068154 942.0684335 871.7971628 676.7977655 667.6227086 564.8136636 654.6653613 1017.658355 924.2972081 592.9133169 650.1360284 1033.438967 1015.456733 407.0490824 624.1109513 668.2411666 1310.82207 1061.540187 745.072502 861.6001 685.7869146 812.6609383 788.2954313 490.4388541 823.3237186 852.9687789 1153.956539 597.6134982 821.0053788 934.3851373 986.3140089 952.2800776 796.0685632 711.0504299 973.4292399 863.8567328 1043.525474 699.9212216 851.7837919 782.3313266 895.2044199 651.5153025 870.9049421 706.7853693 868.263218 797.6439196 1505.252038 732.2000071 786.2592312 797.8329177 720.5503877 763.7418046 794.831124 700.638376 590.6668457 719.0367311 925.2256512 812.7836172 1155.685055 676.9098076 796.8409927 967.8864738 688.7528914 1212.741628 905.1815164 754.8814637 611.3438106 785.1393054 787.393686 No_result_found_in_bank_inhouse +M113T933 M112.9856T15.55 112.9856013 112.9850225 112.9862194 15.55287659 15.53562865 15.73840108 0 451 0 339 [4][M]- [M+Cl]- 78.0162 [M-H]- 113.993 30 4.858065611 74.09318245 0 1 1 0.07380238 0.04638585 1 22847.42761 1686.194541 0.07380238 22834.59638 1059.202157 0.04638585 0.628514278 0.944593896 4.02E-12 20935.8179 26809.10749 5873.289583 0.154148882 0.154144913 0.828852751 0.158401013 0.82588821 0.964232653 0.278323378 0.714738596 0.281762159 0.719172948 0.964232653 22196.29698 23091.84552 22914.67636 21415.56297 22215.26862 22909.28332 25152.18576 23889.21425 22334.2612 21959.75752 22244.05885 21759.15697 21401.69362 19543.93027 21040.49327 24658.25199 18953.86963 22155.70698 23865.30088 23535.69006 25038.95555 23485.91677 23093.19753 20205.8641 23054.94154 22763.51971 25153.50576 22889.46547 23214.11722 18264.72794 22606.75221 22997.22159 19968.81366 22287.5674 22036.95502 22082.76454 21457.91481 24654.12086 22208.25571 22312.07906 22780.38953 21249.15781 22090.56167 23060.12281 21548.82305 24884.38125 22739.7979 20013.86556 23422.86406 22878.68027 23828.2468 22496.14823 20898.25799 23537.64453 20466.92064 22755.81543 21808.53297 22056.37634 22798.66654 24077.84458 22707.28352 22769.75008 23914.89561 23861.96799 25933.33849 22412.81378 24457.44543 22121.86805 26019.74319 23354.77593 23547.74381 22041.26422 22571.6561 23482.25751 20845.94373 23842.81533 24064.89192 24263.13591 24198.89334 21871.48781 22809.9908 24912.277 23643.02685 23067.07763 21315.40535 21856.72648 25253.63304 22127.29483 23048.98051 20608.21547 21005.64435 24044.37856 19524.69841 21829.4334 24714.34336 23194.78859 23628.86187 24945.9144 20785.72348 25051.48236 21794.82567 22771.98806 23782.18467 18691.17194 20727.26305 24499.98315 22605.22749 23685.30454 22386.66893 21162.61192 24858.41979 24579.06625 23128.80402 24569.48551 22300.42489 22863.50821 20893.02514 23408.91569 21093.19338 21541.90655 22746.87665 25408.83875 24605.50232 No_result_found_in_bank_inhouse +M113T880 M112.9856T14.67 112.9856032 112.9850871 112.9861637 14.67370745 14.65413326 14.69484119 0 339 0 339 [6][M]- [M-H]- 113.991 20 6.711453491 69.11673409 5.55E-15 0 1 0.062071616 0.045154898 1 22940.0073 1423.923322 0.062071616 22859.62147 1032.223885 0.045154898 0.727464522 0.83497518 3.89E-07 20419.1302 25539.8372 5120.707004 0.325371266 0.325194372 0.828852751 0.321388948 0.82588821 0.860152552 0.448077924 0.640122634 0.440657879 0.635701581 0.860152552 23279.70472 23463.59389 24378.27419 21447.02502 20058.34629 22630.73882 22785.04042 21671.47589 22601.78684 23190.36487 24469.68696 21376.90748 22841.74812 23029.71821 23171.37288 23452.24523 22704.46135 21430.66048 22633.85386 21832.25118 23025.31009 22197.74877 22404.37951 25460.23014 23610.93691 25613.90526 21960.58935 23542.40611 24823.74862 22452.32114 21565.3964 22754.42231 20695.82242 22101.18265 23647.279 22757.88235 23198.28942 23887.17531 24236.02087 22939.12742 22293.96167 20833.30236 24850.72137 21686.53508 23569.4031 20817.95932 24304.55167 20393.26016 21529.89592 24470.68694 24133.22467 23438.57157 21285.04313 22451.26561 22309.11964 23176.90852 21463.97252 21316.75688 21031.87199 23249.95559 22458.3872 22833.21618 22274.28672 21132.71986 23080.56 23792.188 24512.22075 24577.63652 22750.5108 21347.34386 22660.85084 21474.06379 21374.97811 24620.20868 22156.21496 23159.25665 24054.31042 23070.99729 21087.5818 23177.38137 20875.13516 22987.88034 25093.6942 22899.21266 21233.12586 22334.35737 25219.71545 22667.38343 23446.9617 21945.43083 21499.98064 25873.54471 22639.04558 21160.02385 20984.27828 24601.51846 23141.60478 21561.59389 22009.60152 23570.72609 23084.49578 22704.46135 21407.56789 22098.06761 23456.22344 22447.41243 25499.68727 23830.49036 21732.26742 21664.03922 22560.15887 22855.02143 21783.46733 23184.52982 22127.0099 21557.08964 21634.37674 21394.1619 24566.21472 21777.21887 22395.02498 22665.36717 23079.39395 No_result_found_in_bank_inhouse +M113T999 M112.9856T16.66 112.9855982 112.9849799 112.9861849 16.65571589 16.51368954 16.86014916 0 343 1 339 [7][M]- [M+Cl]- 78.0162 [M-H]- 113.993 39 3.963456684 63.08492156 6.66E-16 0 1 0.067832661 0.050491773 1 29517.89351 2002.277277 0.067832661 29316.98442 1480.266531 0.050491773 0.744357839 0.922251322 1.50E-10 26418.11175 34309.07704 7890.96529 0.365228928 0.364966989 0.825939361 0.367975115 0.818499383 0.986233118 0.619835123 0.443813322 0.625982701 0.450570565 0.986233118 27800.87091 28393.13677 33222.97046 31441.64954 25479.76082 27113.465 27326.50094 29064.36255 30600.22107 27834.90872 30045.07925 29382.77561 29642.178 27749.18884 28261.05249 29488.22098 29378.44274 27838.66948 31314.05909 29917.48766 28281.56051 30242.89276 28902.69851 32747.22623 30645.44557 31880.79806 32041.62511 27649.5427 31481.23083 27966.28542 29594.06071 29930.33837 27527.12124 26580.35452 30423.89317 29824.10427 29024.19306 28096.23919 30067.8268 29082.70984 30218.98918 29043.64526 32719.53218 31446.13243 29477.35007 29586.98571 29770.11575 30203.19465 27634.75105 31478.24525 29430.86362 31934.20802 29758.24687 30050.50082 28509.35107 32197.3015 27246.49904 28420.9146 28893.1995 27940.93903 27477.17015 29780.00648 29875.86757 30145.73844 29605.50253 28180.86384 31468.35452 30776.99232 31020.17279 26670.36018 29723.6293 28231.86482 28966.96726 32704.69608 26220.33185 27944.28653 30169.70134 33271.43505 29564.24876 27337.3342 26893.55473 30405.89148 32273.46014 29776.15536 27495.24727 29848.38027 30001.05769 29975.49968 28444.70861 29623.73291 28119.35249 29617.66801 25517.10077 28433.00936 30246.6532 27727.67949 28339.91583 30334.3067 24894.57849 29016.70872 31431.75881 28360.68637 27899.77823 28978.85715 29957.05059 28927.85871 30329.93121 29071.60545 29156.29733 28513.00365 29365.60751 26914.66127 28235.69179 28217.03386 29065.11583 30004.52611 25887.56372 27555.77318 31625.61716 30207.28612 28583.92553 30941.4096 29437.81835 No_result_found_in_bank_inhouse +M113T895 M112.9856T14.91 112.9855983 112.9850708 112.9861614 14.91051577 14.89288162 14.9251774 0 306 0 306 68 3.995794529 35.46539681 3.20E-12 1 1 0.169443987 0.061697446 1 14751.87953 2499.617288 0.169443987 14377.85584 887.0769869 0.061697446 0.364117058 0.985234417 2.34E-18 12574.16557 16578.908 4004.74243 0.546137033 0.548659295 0.828852751 0.54588624 0.82588821 0.926511606 0.453678077 0.902843964 0.457006051 0.905553463 0.926511606 11572.27206 13201.93364 17220.549 14604.01581 15083.55405 10757.77438 12736.46767 15473.82477 15799.839 11322.01008 12472.74064 14047.86193 11726.61642 11982.11061 10329.6191 15972.45526 10782.35859 12136.83599 17437.07261 19206.70026 15646.5493 17357.37966 14422.12679 15256.41172 16059.75008 14350.53431 16050.00363 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1115.194261 1109.164321 1063.406892 No_result_found_in_bank_inhouse +M114T880 M113.989T14.67 113.9890306 113.9884171 113.989872 14.67477325 14.45343343 14.91299851 0 243 0 237 [6][M+1]- 20 4.538613502 40.33103441 4.44E-16 1 1 0.204742162 0.178270484 1 663.7644383 135.9005659 0.204742162 663.5612016 118.2933763 0.178270484 0.870707245 0.742804674 3.22E-05 479.5236377 894.042373 414.5187353 0.888259732 0.889581501 0.907981747 0.88314174 0.905542086 0.469730133 0.906045885 0.783330869 0.904148879 0.779542973 0.469730133 734.5933296 477.1442735 986.3966498 742.3498083 659.5840203 720.1714214 677.6818476 690.8385242 524.3906533 941.910513 862.063904 626.8470433 367.3564746 482.8167828 680.0386903 726.8305667 573.7792953 903.943138 631.414923 710.8774384 645.4792167 575.9281759 717.2430846 661.2770421 561.3271383 605.4950149 483.2090115 715.524559 634.4716209 519.2889963 966.2020999 820.9321203 550.856317 569.7429527 511.8667599 918.2355615 581.5349393 677.5067349 465.2731076 462.0082985 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No_result_found_in_bank_inhouse +M115T48 M114.9899T0.81 114.9898693 114.9883535 114.9901075 0.807221181 0.71978687 0.823266667 0 282 0 281 [8][M+2]- 16 173.2926807 133.9012238 0 1 1 0.13165002 0.076104396 1 5614.74499 739.1812896 0.13165002 5528.244955 420.7237451 0.076104396 0.578081161 0.718766245 7.60E-05 4697.195444 6390.957825 1693.762381 0.877620082 0.873050044 0.745030178 0.858558658 0.695696123 0.001665798 0.351900559 0.611067583 0.281755785 0.578321875 0.001665798 6079.2897 5372.49447 6555.26212 5765.276897 5217.225024 4734.410079 5748.67206 5640.438174 5865.992421 5519.060469 5726.53118 5646.254172 5504.635655 5959.80639 5959.589399 5696.9746 5633.72778 6031.152606 6566.247752 5307.391019 5739.449321 6384.374456 6217.545095 6450.412832 5035.843874 6346.896506 5725.837784 5716.454625 6172.318952 5259.468103 5760.021721 6481.094693 6950.128265 5414.983745 5467.424624 6099.975549 6575.51598 5244.64794 6450.508178 4934.520556 5479.076652 6505.273039 6234.873327 5986.638654 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937.5839138 1486.143019 1625.061118 843.7402099 2218.123909 1290.845866 1385.298002 1540.742992 1182.430668 996.4495098 No_result_found_in_bank_inhouse +M129T933 M128.9595T15.55 128.9595224 128.958859 128.9602846 15.54994521 15.53558531 15.56247065 0 329 0 329 [M+Cl]- 93.9879 [M-H]- 129.965 30 12.30286205 47.86714792 0 1 1 0.143784803 0.082287233 1 3098.358163 445.496819 0.143784803 3061.84088 251.9504137 0.082287233 0.572294367 0.959370882 1.42E-13 2550.089645 3760.430171 1210.340526 0.197761526 0.194626803 0.81438186 0.199040263 0.814503953 0.970545484 0.254001584 0.766036807 0.257310219 0.767818023 0.970545484 3139.772341 2814.620775 2909.629308 2758.387782 3019.461033 2616.598106 3175.178333 3156.113033 2687.634431 2990.050686 2858.996693 2884.814196 2665.266112 2203.878827 2428.379377 3440.725833 2463.491621 3046.583811 3643.490771 3584.179681 3425.559445 3455.908739 3449.403259 3007.537635 3174.39788 3302.985827 2947.002671 3050.944092 3058.499366 2123.054712 3059.345108 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3177.081951 3243.306612 2841.27057 2639.544492 2714.960817 3634.583441 3060.918351 3221.431182 No_result_found_in_bank_inhouse +M129T999 M128.9595T16.66 128.9595134 128.9587621 128.9602991 16.65539836 16.63327382 16.6764412 0 335 0 335 [M+Cl]- 93.988 [M-H]- 129.965 39 10.27257482 50.89186149 0 0 1 0.124600528 0.079733472 1 3623.980027 451.5498237 0.124600528 3583.015053 285.686229 0.079733472 0.639912792 0.894994802 3.60E-09 3058.014518 4222.085518 1164.071 0.006856187 0.00706971 0.907981747 0.007135637 0.905542086 0.953173798 0.453248182 0.05936874 0.456294275 0.060041042 0.953173798 3427.462479 3828.777825 3769.824051 4416.079602 2907.082803 3088.947666 3182.865486 3917.101216 4057.164824 3032.642704 3774.756658 3438.471305 3637.155796 3453.603033 2377.410247 3259.899844 3154.342573 3347.279427 3837.783464 4144.24195 3335.140257 4735.360619 3908.307383 3392.841646 3665.961551 3830.089945 3295.577299 3808.291643 2588.874115 2884.773963 4459.676207 3553.890372 3336.579456 3342.833776 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4301.959078 3081.254148 3451.155171 3737.851894 3692.460117 No_result_found_in_bank_inhouse +M129T880 M128.9595T14.67 128.9595458 128.9589609 128.9603406 14.67348824 14.45032013 14.82748344 0 353 0 332 [M-H]- 129.966 20 15.94770716 50.71356204 0 0 1 0.10680285 0.092417074 1 3304.327455 352.9115903 0.10680285 3259.070334 301.1937455 0.092417074 0.865305319 0.864565772 5.11E-08 2665.941349 4188.802754 1522.861406 0.067126654 0.070022797 0.97449334 0.072797994 0.974581749 0.971504464 0.60375458 0.280532147 0.610129 0.28119371 0.971504464 3300.459776 3340.291803 3485.69656 3215.277898 3560.1117 2969.196915 3775.828037 3009.380071 3436.015044 3075.680581 3456.035637 3507.369998 3209.15407 3053.085141 3392.282809 2747.749449 3504.625867 2995.657176 3135.504392 3583.047279 3683.102184 3953.520846 3711.496143 3108.462526 3368.064442 4079.265525 3054.596755 4487.597705 3332.483078 2819.691289 3834.536635 3291.495872 3338.556268 3934.59154 3574.934719 2855.235245 3419.088085 3285.632047 3330.205829 3251.784417 2835.280748 2927.016646 3370.768629 3210.75088 3585.751465 3407.759912 3462.710974 2672.271227 3240.481938 2747.453611 3007.055528 3511.386333 3193.644405 3227.529067 3832.980406 3533.019826 3051.572705 2975.655571 3150.394806 2774.480016 3440.844476 3414.035615 3150.708944 3359.823375 3156.075625 3209.38341 3480.288187 3121.983459 3048.873574 3249.08023 3428.908641 3555.33916 3349.009856 2874.550383 3067.899727 3638.483105 3691.214744 3220.686271 3527.599595 2682.126369 3142.174638 3140.84361 4044.111098 4021.639177 3501.92168 3756.416745 3740.975481 3383.173664 3236.362239 2886.719223 3716.904517 2854.334067 3775.044529 3059.399042 3146.81368 3815.607329 2677.144759 3256.643719 3168.175094 3466.962129 3065.19554 3312.628616 3090.885313 3607.384958 3684.454277 3325.563614 3626.314265 3190.523331 3518.704099 3301.81187 3690.60632 3679.045904 3764.103492 2956.893355 3080.509968 3054.378793 2963.720077 2722.21611 3155.785792 3495.161213 3631.447805 3056.930478 3468.17962 No_result_found_in_bank_inhouse +M129T895 M128.9595T14.91 128.9595098 128.9587541 128.9602266 14.91019485 14.89296221 14.9254986 0 100 0 100 [M+Cl]- 93.9871 [M-H]- 129.965 956 5.801501872 19.00694724 2.60E-08 1 1 0.261658698 0.120394391 1 1671.287271 437.3068516 0.261658698 1597.665733 192.3499937 0.120394391 0.460119967 0.969577899 6.18E-15 1237.70597 2044.300298 806.5943285 0.827702065 0.828418633 0.853058507 0.830948372 0.852698807 0.926511606 0.652352267 0.996939174 0.651827007 0.997126253 0.926511606 1520.233252 1316.433886 1833.760701 2220.860373 2210.182802 1277.880092 1301.193801 1735.62709 1873.393744 980.6043478 1253.095533 1861.381902 1183.961546 1198.379889 859.5118447 1979.324007 646.1267479 1246.449247 2260.467354 2325.804692 1214.79441 3048.630951 1851.947314 1833.305786 2049.269963 1030.443051 1469.767007 2118.754652 1629.306546 646.9633537 1705.017932 2113.457403 1059.464234 1657.469814 1763.220271 1335.643739 2015.645753 1622.430928 2050.007786 1356.8619 1374.568234 1924.294155 1614.088553 1854.376968 1413.673577 1723.562739 1145.115705 1478.121845 2188.482596 1405.963973 1719.257953 1495.117563 2145.603482 2100.193814 1219.42726 1525.470288 1290.414296 1916.871003 1750.5967 2155.793714 1913.697116 2284.485159 1629.762185 1609.719359 2037.305982 1764.574153 2262.960883 970.2320889 2073.238127 1522.117154 645.313634 1656.577028 1979.106082 1872.960218 1600.873502 1474.970683 1801.073535 1955.876136 1241.522606 1849.474085 1552.566729 1796.178807 1384.696138 1717.431657 2003.680381 1861.455851 1879.41471 1351.178901 1586.672449 1253.086332 1151.76382 2035.733039 1336.165437 1497.826946 2402.803545 902.9006427 1835.051574 1645.533059 1105.091009 1467.075309 1091.626082 1909.428115 1551.868782 1364.420317 1494.201434 1896.169706 1618.440013 2513.733985 1884.795805 1743.217078 1629.237337 1726.85121 1859.361787 2765.76474 1469.589954 1643.178692 1365.227594 1396.440548 1493.210749 1688.343991 2338.071908 2722.201892 1464.781334 No_result_found_in_bank_inhouse +M129T969 M128.9595T16.15 128.9595217 128.9590634 128.9605486 16.15158383 15.90865399 16.37683213 0 71 1 69 149 4.201729053 29.52117937 0 1 1 0.246872463 0.112724787 1 1347.749579 332.7222579 0.246872463 1327.495406 149.6416368 0.112724787 0.456611424 0.924613731 1.08E-10 1005.605431 1644.839921 639.2344895 0.692317928 0.689524815 0.812332331 0.691195028 0.810685871 0.9676708 0.724798353 0.493200001 0.730716308 0.491847765 0.9676708 1522.086249 1300.293028 1562.945885 1512.224108 1786.175811 1101.084475 2275.004907 1427.144547 1148.664465 1745.284553 1085.295323 1469.665846 1537.409949 1927.756565 954.2041316 1535.413912 1178.811978 1201.428576 1455.852735 1307.483012 1340.39817 1424.07715 1204.11523 2012.104322 1336.587299 1324.452715 1071.149483 1232.868593 922.4833554 1336.715939 860.9640711 1412.565986 1827.308966 1029.603804 2510.385871 935.8767497 858.9007605 1140.252482 1279.18886 986.3071389 1003.896603 982.5884037 1389.059392 1378.494775 928.0905209 1888.089318 1244.627128 1204.185606 838.4444711 1281.995082 1177.747091 895.8650654 1812.826199 1066.551731 2146.481396 1630.215712 1272.496285 1687.546392 1707.494441 2673.427015 1418.107031 1087.698515 1076.314677 965.113009 1088.802716 1350.650909 957.8587271 1276.647109 1309.740195 1467.673885 1056.6131 1465.795961 1363.767099 1251.541416 1359.719691 978.8768583 1774.833554 1202.236493 1364.995586 1038.097023 1415.561814 1419.114806 1607.33772 1260.33078 1244.2812 1237.042257 1516.784395 1496.964159 1085.146745 1242.307998 1252.142117 1905.417959 1676.364995 1853.061839 1425.097147 1145.930997 1502.963796 2145.300939 2423.801647 1617.291153 1298.428425 1150.896997 1421.482807 1328.81322 979.8595076 944.801176 2028.050007 1034.338982 1549.250696 1609.821803 977.4406445 1198.732817 1291.073941 1223.280606 1725.439543 1317.838139 1764.936683 1496.897926 1664.74531 1105.233285 1212.305029 1633.800588 1808.315102 No_result_found_in_bank_inhouse +M130T709 M129.9757T11.82 129.9757483 129.974339 129.9775335 11.8208385 11.38415719 12.2192581 0 107 0 95 138 3.012831245 11.01265807 1.80E-05 0 0 0.405722402 0.249882937 1 1860.546488 754.8653895 0.405722402 1802.592369 450.4370752 0.249882937 0.615896327 0.768641609 1.15E-05 146.0083719 2673.641601 2527.633229 0.546137033 0.548750551 0.87036886 0.545916669 0.870403889 0.973919844 0.944531655 0.502069794 0.945445031 0.503966699 0.973919844 2097.073777 2354.899114 2312.609414 729.0822832 1943.897932 1756.175575 2396.195883 1879.986265 555.5398744 1814.108086 1997.977035 2501.40432 2121.867343 3043.178604 766.9400037 1833.773214 314.5060829 2693.139321 1825.454887 638.9092104 534.4404067 2582.028961 2181.748491 256.2234871 1561.533698 2475.360814 1479.800905 2027.794465 1666.619623 3137.57122 1739.680501 2157.264574 1653.83729 1490.055043 2400.583144 806.2702603 2398.162396 2341.133524 2259.825176 1618.716623 2464.040576 2279.18837 2182.848163 814.1363116 857.7438626 2453.224755 2578.729946 2799.331013 1789.526675 1586.826146 2539.141767 2237.831744 3068.083816 1569.277238 263.5127192 2232.333386 1738.397342 1798.375983 1616.473546 673.5306442 1771.82806 1876.039781 1967.496086 2721.653757 3348.971349 1978.311907 901.7307273 326.6024707 440.4988739 2286.217295 2076.180016 2362.765165 1489.633469 2996.605161 2716.188898 2004.701361 1576.929101 2050.887569 1746.263393 2454.208012 2796.381244 1494.549751 1781.468022 1554.528392 2635.91287 2577.115064 1818.041111 989.1559534 367.7378992 292.5126506 2115.768194 2389.313088 1419.67606 2419.794037 1322.479878 1110.668335 2109.170165 2398.162396 1820.99088 2671.507679 1938.721064 1907.930258 2767.873464 1981.608257 1824.355215 1106.163467 2535.842753 2589.897397 1409.989699 1984.907272 2103.185472 2353.297264 2099.252446 831.8349271 2130.716651 1905.730915 377.5704633 962.6080302 2451.168038 2231.233714 1874.086727 1688.251264 675.4971571 No_result_found_in_bank_inhouse +M130T58 M130.0622T0.96 130.0622067 130.0614615 130.062809 0.963890281 0.9372126 0.994126254 0 168 0 168 124 Inf 29.65358293 0 0 1 0.592714893 0.274879016 1 1763.335427 1045.155169 0.592714893 1620.850288 445.5377327 0.274879016 0.463762627 0.912076217 5.55E-10 682.1333335 2975.404487 2293.271153 0.015516384 0.01672983 0.955954924 0.016789343 0.955848332 0.913150866 0.453678077 0.123572092 0.456294275 0.125380667 0.913150866 1628.163905 1458.045943 1505.771488 2818.47325 2316.785956 611.1001633 1073.448835 1457.932515 996.0599545 1884.624763 1222.825813 2810.078614 1462.282383 1570.171126 3544.306113 3150.790361 1804.857182 910.1280734 1609.201699 527.4940761 1717.803421 2980.513913 3415.782718 1810.028692 895.5332435 1377.345643 865.9999731 1421.303483 1921.479153 1973.950196 761.0739692 1035.299249 3381.324606 1545.419736 992.9300255 815.1842221 1368.675934 1095.519323 804.1698905 1220.47649 1664.655992 1267.711936 1630.74966 2522.428584 1657.469131 350.3565091 1064.469255 1326.589818 2228.715322 1189.447426 1537.66247 1098.945992 871.3995276 2941.940134 779.6948635 2209.096923 1784.385455 1775.177858 2771.270225 3332.167371 1431.536096 4772.442319 831.8607991 2450.307619 662.9185147 919.8570863 731.7687428 1580.758391 1026.906312 540.4228524 1288.568045 1928.097489 925.889398 1709.184237 1261.848574 576.6234263 2005.684175 843.818138 6190.806353 6314.842614 618.3682634 2640.258526 1307.530251 1548.602695 1367.86454 1421.654201 904.9295365 1139.142271 930.4003467 2310.803297 2011.717604 715.0255992 2332.351258 1253.77912 3735.274896 1443.713362 1819.509795 3412.895461 977.9966234 3229.777449 1780.723466 1466.123241 2160.829491 1788.480732 2002.236501 2146.402091 3755.378577 767.6504642 3124.653218 1610.925536 386.5337766 917.9431226 1465.687435 4704.001019 1530.654727 2512.492209 1817.074598 2296.445795 1092.912563 1538.524389 2458.386649 1729.866034 3121.644732 No_result_found_in_bank_inhouse +M132T45 M131.9847T0.74 131.9846731 131.9828766 131.9856387 0.744586679 0.703302004 0.85728343 0 96 0 91 79 33.53600373 40.2084475 0 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0.158618319 1155.126852 159.69618 0.138249907 0.871588526 0.94765885 2.18E-12 864.3333108 1615.634098 751.3007868 0.847491854 0.84307574 0.74917679 0.845824113 0.735276384 0.94309074 0.639781915 0.4358919 0.642958223 0.43642548 0.94309074 1149.346508 1194.082535 1144.851594 1162.81503 1253.344454 1073.254987 1233.30287 984.4347305 975.0944051 954.2189566 984.5953677 1020.466947 1306.55657 911.3686437 1898.349488 942.6177229 1169.716738 1308.335766 1048.009166 1081.601649 1276.407107 1158.238975 1424.954829 1275.502896 1100.19178 1165.118803 1310.009303 1291.50063 1466.121826 1112.181266 904.747495 1125.177441 1517.107928 1014.915553 1115.078238 1525.301651 1003.457678 1050.685272 917.2976609 1260.857307 1483.988232 1031.017884 1278.0603 1158.916791 1169.645268 1234.605977 1335.645064 1089.516999 1112.610264 1064.468069 827.428819 1017.721379 1345.068803 1074.617431 935.3985594 1241.179143 882.3893892 1139.411388 1336.535753 1174.915339 1546.083195 1035.083015 1346.316271 940.1838796 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3.56E-14 474.8204254 1301.76866 826.9482345 0.975939116 0.975977533 0.946954697 0.975955476 0.946617264 0.974479907 0.966176257 0.89950894 0.967031738 0.9004885 0.974479907 817.6854625 672.2772234 556.3210712 881.5927431 359.8283805 857.8323439 1024.422436 973.2013138 508.3696337 738.8646817 763.1947145 989.8481784 1080.76567 1436.752466 1826.032991 738.8646817 538.2959407 610.8118772 616.1317313 712.8119763 613.6737589 1045.457565 548.9471542 763.6100712 1430.539897 905.3531423 1198.57425 477.6659565 1143.511544 582.6402603 948.7773202 796.4884437 969.3597297 858.651668 530.1026996 720.9372891 1261.320124 695.3267282 766.0680435 1254.385213 824.6600607 870.7590703 999.5754151 660.752471 372.7924704 306.0462026 435.0611028 1144.792072 1516.145205 719.3665692 1381.380451 599.745249 722.6438656 1149.914184 1187.049497 514.5355415 1073.082501 1279.247516 799.0494998 1169.122105 670.9966953 774.2612846 900.2112153 715.8151769 1184.488441 1199.854778 1033.987028 602.2032214 797.7689717 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1273.859631 709.6333319 1230.974365 1090.601154 1152.810174 679.6870651 776.2335232 785.244526 1062.011039 2419.194852 617.8973319 1221.771739 728.6039372 1863.990285 1153.408353 1082.607617 856.5132131 679.867741 4564.71654 696.5107759 543.2347376 1257.678528 761.7183119 1569.653713 984.7738727 1816.360699 1207.474369 865.0344546 2200.290869 1204.105421 757.3436122 795.9731792 1655.449935 2608.284449 1691.493946 644.9303402 977.0684182 1247.380239 828.6469935 531.6491627 858.6198341 1099.342336 743.3259958 697.7090706 1642.577074 1086.824251 1597.385624 823.8631092 1067.160184 1049.138178 No_result_found_in_bank_inhouse +M145T56 M144.8697T0.93 144.8697496 144.8690633 144.8704162 0.925749506 0.893092942 0.946515815 0 197 0 197 48 193.8566372 82.8785791 0 0 1 0.159010068 0.130820318 1 1325.967135 210.8421248 0.159010068 1282.672954 167.7996839 0.130820318 0.822717199 0.868064677 3.90E-08 928.1412401 1656.064557 727.9233165 0.255210779 0.251115346 0.812332331 0.251081699 0.810685871 0.895228214 0.254001584 0.913996348 0.251138038 0.913037985 0.895228214 1277.989648 1013.78562 1526.871712 1247.373204 2111.974506 1324.408128 1527.993717 1417.075659 964.4986136 1346.104347 1609.964691 1391.890578 1052.125299 1303.978819 1021.11145 1159.588611 1637.485963 1582.261068 1526.871712 1086.389963 1076.513691 1158.486752 1194.041333 1223.67015 1277.002021 1455.762551 1128.207401 1235.521677 1371.769811 1170.890347 1376.752372 1073.047346 1501.69818 1351.074064 968.862322 1259.047347 1351.367916 907.9329161 1588.104601 1322.432874 1048.369249 1218.044788 1066.637419 1431.758724 1214.781505 1080.843963 1308.606092 1735.796767 1481.060327 1400.455426 1318.482365 1174.288788 1247.373204 1372.088492 1675.566551 1197.004214 1955.237802 1445.542375 1877.647468 1512.026456 1393.529457 1330.333892 1477.148847 1150.584071 1159.486264 1431.580435 1450.824415 1087.377591 1093.123857 1665.139526 1450.824415 1158.96855 1771.455938 1608.844773 1540.698494 951.0850316 923.4314689 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7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse +M147T56 M146.8667T0.93 146.8666917 146.8658569 146.8673689 0.92599289 0.893404719 0.946515815 0 177 0 177 48 27.0225521 68.95154666 0 1 1 0.162148835 0.141341399 1 1240.649997 201.1699518 0.162148835 1265.064565 178.805995 0.141341399 0.871676929 0.841949764 2.50E-07 900.2890789 1882.150046 981.8609675 0.025865512 0.026253174 0.853058507 0.025905663 0.852698807 0.895228214 0.207529252 0.298379218 0.2042396 0.296238334 0.895228214 1036.019976 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1313.998451 1176.167752 1315.354864 1245.723152 1083.844755 928.6001026 1086.084251 1355.182318 1371.892632 1490.240404 1034.979881 1121.054673 1242.48108 1095.417122 1074.572309 1348.805814 1064.956102 890.8698327 1654.244743 1562.906078 929.6364445 1075.230925 1181.300584 1350.818725 1263.901707 1495.265901 1379.686764 1287.515754 1000.060929 938.3087514 1217.115818 835.4717322 1458.943239 1237.971685 1775.914633 1158.857843 1281.183104 978.2718173 No_result_found_in_bank_inhouse +M147T45 M146.9613T0.75 146.9612804 146.9608917 146.9661577 0.747896179 0.719802027 1.172262496 0 176 1 172 [M+Cl]- 111.997 79 30.54845495 34.9023693 0 1 0 0.513207707 0.296361089 1 4135.541589 2122.391817 0.513207707 3754.285673 1112.624191 0.296361089 0.577468118 0.754926697 2.01E-05 1646.57464 7065.809933 5419.235293 0.556698489 0.558050286 0.907981747 0.556214129 0.905542086 0.896173123 0.643592366 0.956161981 0.643109369 0.95563747 0.896173123 7404.163176 3857.062383 5728.001344 7009.074821 5413.841071 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4794.756006 6609.030574 4448.534152 3990.86971 2804.284286 1745.258249 4695.512991 3651.779217 2022.25031 2724.102374 4567.245035 5389.631327 4781.695635 5036.734211 4433.68141 2134.496287 3522.797527 2360.513346 5341.989747 7586.04197 3232.820667 4865.063567 5176.922096 2745.970168 2683.490756 4758.848566 3984.801704 1879.588985 4102.814737 6024.59086 6824.46131 3919.541795 2828.234728 3085.441641 No_result_found_in_bank_inhouse +M150T1106 M150.0019T18.43 150.0018766 150.000963 150.0040052 18.42714166 18.41045348 18.54681794 0 225 0 224 432 103.6977933 28.1260836 0 0 0 0.677125386 0.090266377 1 9961.605394 6745.255901 0.677125386 9432.411472 851.4296098 0.090266377 0.133308216 0.991580996 4.99E-21 7189.211312 11303.82868 4114.617366 0.819778203 0.821245135 0.797864997 0.819565742 0.810685871 0.953173798 0.545535125 0.699823706 0.548555348 0.701953625 0.953173798 4890.710924 3952.174385 4197.682236 6196.680238 6923.662692 6616.341678 6437.591761 3735.720923 3856.289299 5465.4499 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24916.12732 19646.68217 24196.06246 19291.40932 24128.47292 16371.24107 12963.9683 29458.35471 No_result_found_in_bank_inhouse +M155T50 M155.0654T0.84 155.0653523 155.0638038 155.0664109 0.840116862 0.806613889 0.865575038 0 91 0 91 1131 90.28349635 44.72420566 0 0 0 0.282024141 0.23414954 1 901.6700198 254.2927126 0.282024141 855.0447236 200.2083289 0.23414954 0.830246444 0.921740947 1.61E-10 421.5372401 1264.61172 843.0744803 0.204482745 0.202711405 0.854237012 0.202549963 0.852698807 0.895228214 0.97271443 0.176232132 0.973061143 0.173085475 0.895228214 1250.727282 942.1980485 634.5063843 661.9346141 560.3071373 699.4198616 1225.859801 906.1138679 817.9080932 489.1411145 648.5129121 1049.448252 1153.69144 1094.553478 634.4801752 957.2331237 793.5901175 716.6719199 639.9920302 661.9346141 589.7069422 981.9306293 796.3329405 529.3648364 761.590516 1182.156707 1713.998578 770.7332593 980.2869058 904.1091912 965.4736913 899.0974995 1093.551139 794.5043918 1130.043071 1214.83408 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797.8613262 755.7631155 842.9665519 No_result_found_in_bank_inhouse +M157T54 M156.8777T0.89 156.8777365 156.876989 156.8786427 0.894265278 0.846486813 0.925736478 0 164 0 164 45 94.16963729 34.63931619 0 1 1 0.230598891 0.204586687 1 2495.465557 575.4515899 0.230598891 2235.86738 457.4286993 0.204586687 0.887197184 0.965050304 2.79E-14 613.9166049 3259.997322 2646.080717 0.972569586 0.971929274 0.812332331 0.972361413 0.810685871 0.897437208 0.497794523 0.902843964 0.501632992 0.905553463 0.897437208 2541.604518 2915.305742 2327.146435 1907.271168 3683.390011 1911.161683 2228.225926 1652.740724 2822.357937 2636.247793 1753.639369 2336.356573 2440.33126 1715.641451 3147.1961 878.7227907 3039.039077 3982.61204 2738.696407 1762.631848 2228.550476 2298.59695 1807.133352 2408.403848 2829.716423 2265.390406 2922.284721 2199.010973 2296.729413 1591.694775 2029.79005 3241.249045 2561.05692 2008.208266 2382.400954 3541.975162 1802.139488 2264.685559 2327.135123 2309.286776 959.7672945 1831.745819 2490.989152 2940.058666 2084.078818 2554.533136 2785.146307 2535.918152 2033.543196 2738.317414 2606.83101 1911.954983 2151.564983 3056.483961 2011.465588 2762.932262 2654.035347 2095.085674 2014.649021 3455.254395 1901.603123 2435.465188 2504.67078 2519.10958 2955.692377 2408.127361 2785.673735 2287.709611 3092.911291 2741.13605 2502.12716 3291.196344 2054.469448 2311.485724 2114.464324 2233.2205 2462.824393 2238.683747 1917.291647 2282.031005 2817.329756 2453.294922 2562.611434 3081.265669 2370.226649 2711.37173 3062.160157 2635.757082 827.7719638 2270.713543 2561.499205 1968.368191 2885.110029 2830.256197 1781.454064 2304.965229 2633.126108 1837.251695 1888.579 2371.660899 3167.132593 2123.765934 2425.171681 2681.309468 2289.051666 2454.828408 2532.561581 2923.654959 3870.303236 2370.110943 2340.436012 2055.080555 2642.720481 2550.45 3348.062694 2466.320406 3509.182272 2570.392088 2328.391081 2338.603624 3101.06292 1544.618752 3918.400135 No_result_found_in_bank_inhouse +M157T57 M156.9157T0.94 156.9156994 156.9144523 156.9254716 0.943088265 0.859877856 0.966034516 0 167 0 167 48 63.7528356 32.00226003 0 1 1 0.37150483 0.28160441 1 1581.547928 587.5526945 0.37150483 1515.364993 426.7334647 0.28160441 0.758010091 0.898463453 2.53E-09 323.9978301 2760.18828 2436.19045 0.819778203 0.821245135 0.946954697 0.818415338 0.943247809 0.539848157 0.876629164 0.989714906 0.874779737 0.98888698 0.539848157 1706.651743 2067.8325 416.8489414 836.3938023 2863.389218 2236.145776 959.3409758 1145.836835 1364.565397 1375.390158 1234.786473 1953.335461 999.6443372 1086.989726 1675.10496 2033.481179 1657.20825 1407.606661 3272.852336 1201.745327 2265.065762 1171.455075 1732.591177 689.5147928 1638.868283 2292.422527 1615.763533 865.5377952 1818.879609 1186.514143 1010.843353 1625.933396 1394.264961 1514.632501 575.4549579 2302.310453 1021.25076 1585.18189 2530.572758 1872.180501 1555.385378 1532.543387 1918.559208 2016.82739 1320.940811 1021.004021 830.0136839 1264.588688 1474.224694 2737.204131 1097.048619 2286.64545 2937.949006 1458.570544 1407.762953 1154.378647 777.1291721 1101.61479 1332.168329 1675.559192 1398.875613 2147.91838 1873.113414 1676.072852 2064.312127 1643.432677 1456.602588 957.7693148 950.1625714 2874.317786 2903.591164 2072.664891 1490.338159 2379.302663 2384.788826 2702.282961 1605.316504 1142.267801 1371.780179 1582.574584 1875.724241 2041.432541 2647.426016 1254.629624 1226.133544 1842.70918 2377.700754 1640.918235 1093.195447 1130.853816 1444.903568 1172.340734 1729.611609 1401.306022 1234.821516 2611.465055 920.6178412 1532.201397 664.8039399 1658.072045 1962.497726 758.8565272 1358.628038 1181.778302 1227.780663 1752.84417 2017.771877 1464.68808 2718.425785 889.4997381 1567.323963 1035.273131 1294.982249 2026.527854 1441.371936 1418.405552 1028.713598 1475.362627 1203.540439 1180.675422 2149.975087 1199.492681 1555.56597 No_result_found_in_bank_inhouse +M157T933 M157.0118T15.55 157.0118183 157.0111189 157.0128068 15.54838724 15.52615592 15.76841183 0 313 0 310 30 3.815387221 23.53965297 1.50E-09 1 1 0.11159214 0.095407263 1 2822.154992 314.9303141 0.11159214 2946.158704 281.084939 0.095407263 0.85496401 0.922354898 1.48E-10 2323.298782 3916.931858 1593.633076 0.819778203 0.81748175 0.863706624 0.818415338 0.863226859 0.970545484 0.682015887 0.972147899 0.684096745 0.972068942 0.970545484 2337.772282 3456.556017 2342.370171 2731.232878 2451.971765 3389.609449 2893.503147 2594.22828 2778.281014 2769.183121 2574.89837 2396.290964 2345.895057 2171.584066 2233.096946 2901.415824 2717.699523 2611.529649 2771.868354 2555.661863 2638.196836 3442.540466 3068.642788 2886.136306 2789.716881 3492.856625 2600.971232 3058.691066 3118.238222 1708.952767 3147.974787 2948.772086 2853.970125 3077.743867 3114.096016 3205.598693 3017.526354 2575.000933 3146.504072 2750.103805 2728.768898 3048.891234 2946.262926 3000.015825 2879.137441 2456.437479 2888.352249 2751.869022 2794.804724 2953.283607 3496.017602 3388.403784 2913.278736 2846.312606 2156.215776 2589.543775 2934.025557 2743.75385 2972.321037 2734.880349 3012.634731 2887.353609 2539.653995 2832.48227 2729.941776 3223.218339 2954.32926 3346.742908 2356.470784 2399.618448 3612.236773 2788.741952 2448.48877 2629.364537 2826.575613 3487.584736 2673.550211 3009.057754 3195.456623 2759.356433 2676.773706 2857.864746 3276.749759 2332.537011 3487.152909 2930.548369 3196.095027 2610.513996 2905.277174 2202.922545 2842.942742 3004.349976 2186.891795 2620.693913 2511.597008 2763.32455 3243.10642 2625.4428 2512.876407 2880.487257 2416.62841 2201.346392 3136.011329 2662.207945 2697.940056 2852.919952 2670.926688 2176.846144 2805.26393 2773.312172 2770.782234 3021.896201 3132.80079 2343.251128 2415.347532 2624.922332 2634.172927 2768.859676 1786.170849 2402.360922 2783.817077 3274.315199 2746.464993 No_result_found_in_bank_inhouse +M157T895 M157.0119T14.91 157.0118549 157.0112607 157.0125752 14.9093234 14.89044978 14.92524159 0 186 0 186 959 3.483492923 15.16373918 3.99E-07 1 1 0.234976922 0.144283256 1 1899.494218 446.3373053 0.234976922 1833.73177 264.5767907 0.144283256 0.614031603 0.927051677 7.63E-11 1401.912389 2808.669128 1406.756739 0.950399219 0.950999255 0.825939361 0.949728952 0.818499383 0.915966112 0.549782369 0.972147899 0.554466205 0.972068942 0.915966112 1562.545899 1712.045376 2002.180284 2157.354405 2042.340401 1334.488409 1457.630089 1556.685897 1702.416119 1249.557197 1348.807603 2021.647722 1111.433016 1494.296338 1111.056732 2076.556847 1654.386924 1621.392983 1540.331486 2444.388794 1609.155593 2272.612586 2247.208751 1555.692109 2096.718085 1848.224468 1908.382481 2253.944479 2166.394244 1117.554167 1979.585098 2077.920726 1222.239596 750.5846822 2209.744122 1946.121987 2163.589187 1696.875851 2854.704758 1539.955273 1565.782038 2125.238013 1719.213765 1792.959449 2054.77516 1776.552628 1718.797829 1684.101393 2196.956604 1595.333352 1656.754612 2039.39895 1726.460942 1985.43989 1362.780073 2463.676059 1719.345449 2307.43183 2369.954819 2791.24526 2055.776162 2298.337787 2007.472307 2149.654563 2267.108893 2157.609238 2210.676336 1546.04047 1977.138106 1166.094977 1018.866124 1829.16935 1744.847138 1525.06943 1468.811125 1342.951381 1999.212948 2220.003786 1509.377435 1827.049409 1967.176173 2208.462752 2188.653561 1750.814967 1573.859032 1871.68465 2179.82911 1619.634032 1563.951251 1643.829851 1166.925782 2071.362508 1236.426106 1843.400716 2188.293755 1182.384356 2130.98459 1980.502853 1272.99428 1445.374729 1804.037588 1926.951688 1783.9213 2348.407748 1570.55514 2574.801416 1366.875077 1961.928495 1760.696344 1084.696571 2204.653934 1439.242183 1996.893389 2334.663987 1607.432196 1332.664504 1205.395491 1845.428967 1467.761536 2209.094545 2060.851827 3017.527006 2436.64054 No_result_found_in_bank_inhouse +M158T53 M157.863T0.89 157.8630114 157.8623135 157.8637326 0.891616814 0.863597188 1.016767975 0 352 0 272 [3M+2Cl]2- 81.9252 [M+Cl]- 122.891 45 312.7500598 38.54162213 0 1 1 0.141326173 0.133349894 1 1901.007739 268.6621479 0.141326173 1916.332853 255.5427823 0.133349894 0.943561205 0.779617493 7.10E-06 1269.709475 2546.172869 1276.463394 0.997345783 0.997340401 0.917465563 0.997357946 0.917754402 0.895228214 0.891406289 0.989714906 0.89078351 0.98888698 0.895228214 1725.661682 1623.357966 1509.759485 1664.559869 1726.837548 1943.946496 1903.252665 1435.96489 1765.774412 2070.61419 1845.053533 1791.716469 1781.09372 1932.229596 1516.100347 1484.129 2014.008627 1490.03698 2036.937781 1910.966147 2285.376264 1908.820531 1905.034628 2083.63606 2127.407128 1991.960552 2383.012941 1812.558475 1917.067618 1938.04189 1921.658911 1883.138555 1787.750587 1990.489696 1713.11359 2460.102498 2312.191409 2184.681259 1922.061041 1754.264625 2214.483166 1452.3392 1705.661523 2146.244136 1988.583947 1457.125236 2192.498352 1814.910752 2411.186479 2039.011963 1816.491694 1486.021988 1871.456695 1772.216977 2028.935329 1883.488969 2058.009794 1655.620738 1890.431707 1682.490586 1492.18074 2119.766386 1445.553582 1424.860251 1705.554545 2251.524412 2304.303855 2177.355381 2353.791314 1702.813861 1562.209145 1821.00242 1732.650727 1944.506207 2010.523084 1759.169458 1916.185025 2297.83231 2543.298482 1803.989382 2517.899686 2240.468246 2127.056376 1788.728303 1977.995697 1898.049628 1659.652961 1649.669358 1701.92372 1614.846744 1759.317667 1783.604586 1922.286255 1790.588619 1923.034164 1905.762692 1879.839193 1323.299689 2002.283926 1953.695156 1566.623284 2075.119587 1878.066223 1974.120228 1644.117681 2218.594382 1790.977523 1339.153962 2358.16933 1909.193369 1715.052643 2184.993561 1996.522891 1327.865365 1773.850579 2034.800252 1551.066454 2116.280034 2803.811039 1762.824008 1735.852111 1759.167329 1519.320921 No_result_found_in_bank_inhouse +M159T56 M158.8466T0.93 158.8466299 158.8459662 158.847527 0.925755975 0.838417261 0.965690546 0 215 0 210 [M-H-H20]- 177.867 48 Inf 50.7504002 0 1 1 0.177009303 0.165937814 1 982.0387119 173.8299883 0.177009303 925.5952204 153.5912476 0.165937814 0.9374525 0.935075608 2.20E-11 670.1126196 1461.397421 791.2848017 0.274210111 0.278233853 0.89018862 0.281407219 0.887209209 0.896173123 0.652352267 0.527705516 0.651421769 0.524444844 0.896173123 946.1263101 864.5896201 924.7015773 817.3657828 1032.074664 973.9022067 1190.527859 744.2077202 1022.431851 919.5480965 830.4372743 1058.244419 813.4394439 1030.762682 1368.796549 1159.625147 834.9030409 743.8284751 777.6905262 837.7958075 1067.8599 882.8267518 806.0002325 1004.957739 942.9737097 1129.630712 890.8143827 872.7554414 990.8498625 633.4059927 751.2725477 942.3424119 1298.767468 845.0068615 892.4841959 858.2030001 835.655379 1176.036141 952.3148997 997.5254904 944.7702105 861.251514 1094.157821 1040.534674 902.887161 1046.582034 700.4828871 821.9963696 1065.441113 1236.434185 808.7688756 606.1271354 1042.2629 1219.865413 1180.182598 1030.100062 1009.183766 931.7213196 1120.649036 1294.9288 1039.189309 967.4932771 877.9490113 882.7919593 1205.193358 1053.36236 1059.596687 961.6987666 1056.406952 873.4756636 895.1839826 640.3976475 1637.871323 838.3883353 744.7248304 955.6650205 971.5379688 784.6961013 1175.483973 975.3696213 1294.837829 1007.401223 934.2099294 926.2612925 1026.972164 925.0888947 1220.234291 1044.804304 1052.156266 876.0365322 894.964959 730.5859443 972.8360451 748.8000101 744.8511704 921.5908323 889.202885 1029.528747 1050.374253 871.3499865 812.8743443 691.8400367 981.5653978 836.9556593 881.9538269 623.5093728 974.1509314 1068.65399 818.7894744 1060.8369 893.2057707 772.9862328 1175.845789 1155.750189 1395.75699 989.6743872 1192.040523 1106.119958 1036.801067 822.4650062 935.8417175 711.6596692 655.6893987 No_result_found_in_bank_inhouse +M160T53 M159.86T0.89 159.8599655 159.8591128 159.8607527 0.891616814 0.860727702 1.012350333 0 264 0 208 [M+Cl]- 124.894 [M-H-C6H10O4]- 306.925 45 Inf 39.38809958 0 0 1 0.179473189 0.137674016 1 1289.161845 231.3699868 0.179473189 1258.108389 173.2088345 0.137674016 0.767100742 0.778687655 7.40E-06 950.9365006 1713.613719 762.6772181 0.767136029 0.768555237 0.978897075 0.764659619 0.978101298 0.835729189 0.91677177 0.917774791 0.917180308 0.916846385 0.835729189 1202.929489 1053.091295 1319.113492 1282.983101 1043.042501 1278.024028 1052.570978 1079.309294 1473.916556 1454.137266 1399.174751 965.5103384 1197.687012 1064.902027 1362.050769 1131.95458 1163.965342 1240.670344 1314.154419 1200.095733 1480.637593 1505.432959 1127.834951 1272.356515 1137.044659 1287.942174 1410.715137 1165.38222 1208.472867 1160.413904 1214.264514 1311.627752 1407.126468 1236.934563 1022.277534 1271.036035 1251.072805 1205.843378 1120.750561 1453.00847 995.6639017 1195.149683 1448.757836 1146.63313 1486.305105 869.8965624 1459.384422 1135.194891 1293.483836 1237.643002 973.3952405 817.5386518 1377.205493 1239.651799 1315.417565 1170.341294 1115.518345 1620.988777 1150.721261 1637.648935 1482.996198 1245.435832 1458.766815 1142.424833 1473.534461 1703.537249 1381.456127 1477.803837 1014.218437 1149.088122 1341.783541 665.9405736 1033.210422 1360.202956 1339.658224 1141.295293 1771.097599 1239.768319 1622.419256 1115.443352 1527.327915 1679.304963 1241.893637 1392.49591 1489.8473 1252.039362 844.4519656 984.3624309 1284.066998 1269.522759 1103.748024 952.1253819 1191.594465 997.4156681 1113.365748 1560.691204 1429.629982 1054.4303 1023.29457 1080.139376 1039.98851 1333.990712 1117.208366 1216.389831 1100.914268 1033.786999 889.7994338 975.4989121 1779.013711 1122.875878 1187.263992 1331.865395 1180.313201 1314.338758 797.8572105 1298.56876 825.1629824 1485.256685 1583.361254 1127.126512 944.8712198 1201.677176 1103.045893 No_result_found_in_bank_inhouse +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 +M163T1075 M163.1129T17.92 163.112856 163.1118117 163.1136941 17.9151951 17.90227005 17.928736 0 80 0 80 12 17.44297148 28.83371238 0 0 1 0.531620378 0.19468809 1 1588.961801 844.7244738 0.531620378 1440.348558 280.4187091 0.19468809 0.366216378 0.935893196 1.92E-11 892.5263308 2443.363119 1550.836789 0.997345783 0.997340401 0.828852751 0.997357946 0.82935687 0.970545484 0.684119509 0.913056964 0.686164823 0.913037985 0.970545484 1380.01968 1046.581026 937.2388977 1542.098587 1580.668283 1404.683862 1424.895712 1114.348407 874.7505809 1397.956505 1739.374805 1467.406901 1474.612008 1672.825596 1620.961928 998.9458924 882.0381105 1717.105881 975.9968972 653.0135678 1374.147256 2492.256818 2861.045056 3198.122204 2959.701782 2888.058207 2173.348551 1670.117434 2787.052424 4057.817896 1845.115675 3311.792998 2254.908677 2814.065663 1329.516832 3300.118793 1210.714845 2139.03411 1397.636953 1576.158648 2535.826233 2822.640482 1971.960037 2269.343772 2072.965732 3109.854973 2314.909608 2955.796911 2993.105098 2916.245843 2205.682519 4956.326 2117.596156 2485.611837 2789.517207 2532.189303 2863.944922 1999.578856 2409.086208 2626.42792 1719.997276 1791.089372 2815.827405 3130.538815 2238.566081 2752.288875 1971.960037 2486.384394 2327.258854 994.7886546 723.4826579 1576.344738 1276.271439 1883.873674 1141.599259 1108.713683 1244.953924 1848.639129 2069.251834 2404.760741 796.6894092 1798.364199 1226.162167 1830.886062 1408.207316 1483.110205 1621.314029 1416.436692 1122.913558 1182.706228 1657.198101 1471.424461 1665.419495 1966.59365 1447.586676 2068.267793 1434.045983 2417.524022 2475.831201 2858.29232 1856.860523 2597.960453 2243.266033 3038.392266 3411.878443 3451.238129 3026.647418 3276.441264 4501.853349 1957.866219 1930.915037 2633.194998 2056.786712 2409.300091 2566.526177 1524.481315 1949.688477 3128.436852 2118.770641 1435.220467 2678.203453 1681.50301 3060.723436 No_result_found_in_bank_inhouse +M165T56_1 M164.8361T0.93_1 164.8361035 164.8357356 164.8366314 0.925748065 0.857846204 1.088226656 0 307 0 305 [M-H-CH2]- 179.864 48 510.0497082 53.01844801 0 1 1 0.113678458 0.110022906 1 4256.229581 483.8416177 0.113678458 4004.372279 440.5726754 0.110022906 0.967843052 0.978168583 1.67E-16 3213.037986 5145.128765 1932.090779 0.924827568 0.923406161 0.907981747 0.924732655 0.905542086 0.91798044 0.847848538 0.989714906 0.850440292 0.98888698 0.91798044 4288.744153 4029.245289 3954.556684 3794.470092 4431.230886 4435.419355 5065.588084 3865.316449 4499.735567 4606.190295 3879.490699 3831.008498 4255.90261 4684.857593 4183.219768 4531.973152 3727.903935 5019.876468 4056.911459 3906.071975 4335.074889 4293.460748 4614.402131 4461.834883 4254.379234 4001.446534 4540.406402 4569.894491 4836.989948 4343.038988 4821.468076 3746.544196 3972.404777 4242.168198 4503.248041 5345.8546 3875.579512 3953.161029 4630.823701 3936.038001 3943.874411 3907.559286 4009.93372 4532.185317 4327.7358 3996.95604 4160.510663 4215.762026 4449.89057 4108.607978 4078.346257 3610.615486 4781.120819 3570.392043 3993.578937 4135.70316 4226.231139 4311.548899 4531.931985 4880.776944 4356.630849 3699.80254 5047.969536 4557.085491 3925.591135 5106.848256 4468.467336 4193.803135 4000.173934 4490.713297 4043.719458 5128.809121 3981.684575 3786.73164 3541.467705 3724.7849 3703.794903 3854.075919 4781.582199 3607.620856 4012.697976 4829.56106 3543.274709 4510.505325 4412.980617 4366.170114 4885.073583 4419.314761 4961.795908 4039.433112 4057.235211 3363.075358 4702.9679 3983.91767 4518.235664 4118.62732 3981.221105 3810.571871 3915.624497 4324.466544 4287.084687 3578.075182 5020.061065 3744.348853 4473.877408 3576.596795 4185.959821 4490.057189 4763.417961 4906.267375 4421.67194 4030.638388 4811.486688 5381.557167 4651.133302 3414.174231 4253.843469 4062.868482 5092.760534 3615.497025 3977.786822 5034.825618 4324.568997 No_result_found_in_bank_inhouse +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse +M167T55 M166.8605T0.91 166.8604803 166.8594882 166.8613241 0.908399457 0.872420773 0.925999898 0 153 0 153 [3M-H+Cl]2- 99.9233 45 Inf 22.26094919 0 1 1 0.196516142 0.147846179 1 2337.283781 459.3139922 0.196516142 2168.922084 320.6668425 0.147846179 0.752336053 0.965754615 2.23E-14 1194.994672 3140.166549 1945.171877 0.088828727 0.079452736 0.715391897 0.079178006 0.695696123 0.895228214 0.017710942 0.955277479 0.017282096 0.954444196 0.895228214 2365.452222 2251.127447 2507.142557 2120.586073 2523.511252 1931.253552 1955.360739 2087.357731 2381.533568 2860.915238 3274.718338 2095.480273 1996.015195 3067.843577 2861.001396 2849.565969 2291.866882 2871.920301 2198.429334 1985.570521 2236.996218 2036.429045 1862.317064 2445.336342 2657.060411 1957.095318 2582.972325 2612.929486 2919.562742 2473.544471 2518.760779 2975.43369 2873.111484 2130.55493 2242.010295 2220.234769 3021.155715 2423.247768 1905.783075 1989.410132 1617.313605 2700.390504 1926.650274 2690.938849 2307.687305 2069.598667 2211.894274 2273.130091 2121.14925 2840.235159 2122.088505 2280.606457 2084.854905 1748.603328 2645.671009 3204.938 2947.093994 2187.600815 1737.712668 2468.717514 2191.866308 2331.740997 2609.427122 2748.628678 2510.87931 2963.229495 2116.835513 1817.49387 2744.100712 2493.654155 3716.200122 3345.589258 1265.458715 2156.008473 1866.104626 2276.358282 2735.80705 1879.849146 2813.164041 2548.105442 2427.733645 2570.94031 2126.214506 2740.309066 2684.119293 2627.861793 2832.795389 2352.195096 3907.858688 2508.583232 2646.293144 2255.772446 2568.243175 2201.388757 2228.48458 1854.448948 2317.19305 2297.727835 2006.936587 1247.905451 4127.809288 1914.557759 2673.307467 2650.607711 2399.272112 1727.351628 2269.127942 2408.892407 2336.466501 1834.790941 1826.507004 1962.537086 2032.868849 2876.083613 2153.030498 2207.578692 1904.444777 2772.772649 2370.561762 2717.660591 1968.970204 2350.227659 3443.016904 No_result_found_in_bank_inhouse +M168T50 M168.0778T0.83 168.077807 168.0767216 168.0784613 0.825015415 0.797831863 1.112226716 0 76 0 76 16 Inf 20.71663681 0 0 0 0.926424 0.285003842 1 781.7365704 724.2195204 0.926424 755.2677248 215.2542034 0.285003842 0.307638664 0.894073335 3.95E-09 341.9142764 1464.034696 1122.12042 0.706312375 0.708833935 0.828852751 0.709252557 0.82588821 0.926511606 0.841768538 0.53149086 0.844193462 0.529415534 0.926511606 211.2520979 279.6561926 997.4041835 208.0990815 545.1972461 545.4718348 891.9003491 825.7356348 393.4595012 812.5026919 437.5693107 199.3763392 79.39765719 588.4248594 273.4808192 640.4744347 1937.003067 192.3187696 3195.056605 276.4144365 1191.840194 225.9661743 407.7901193 246.9862836 428.8102285 262.7513655 74.98667624 240.6802508 448.155665 2188.72875 194.4360105 1468.856658 378.4621659 387.8210155 127.1716609 425.2185641 1899.368399 190.5543773 345.780797 228.0681853 2587.481428 552.2548156 607.4811571 1563.25165 367.8519117 290.2425468 736.7548289 491.3832784 336.998945 112.4575844 92.48848066 109.3045681 2488.780934 1197.140231 450.8022536 1217.064325 780.7436291 439.3337031 1576.484593 1367.404096 1154.794814 754.6219218 194.9653582 309.650863 307.8864707 2671.290066 172.3648958 97.74350797 277.009604 227.0171798 891.2526318 643.1210233 2303.414255 233.3232126 527.6047419 426.7082176 289.0265021 188.1299777 1341.820407 925.4238044 1078.925942 1776.743129 1127.728861 1024.229778 682.1025449 1068.339587 157.030922 272.598623 325.5303945 1429.367428 925.9358121 486.0901013 454.0343596 561.9589737 414.6322098 712.5817033 1167.667068 300.8289011 277.8918002 374.9333812 194.4360105 792.4581184 1113.014784 196.5380214 341.5767752 661.6471433 2696.880016 782.5080214 1895.839615 2259.661743 935.1279625 155.5488084 165.8528839 901.6045072 476.3859432 469.7994415 375.8155774 276.1274078 2308.007995 729.3977907 1421.218064 232.8997944 544.3150499 0.000207#168.0776#0.055015415#0.77#3-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784##168.0776#0.77#-1.42790983|0.000093#168.0779#0.075015415#0.75#1-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784#100#168.0779#0.75#0.356977458 +M169T55 M168.8575T0.91 168.8574564 168.8563875 168.8583403 0.908634704 0.882608587 0.926080972 0 146 0 146 45 103.1140912 22.19274953 0 1 1 0.20602529 0.179068278 1 2425.767956 499.7695465 0.20602529 2225.012772 398.4292048 0.179068278 0.86915678 0.968932667 7.77E-15 1310.905133 3025.416821 1714.511688 0.001226576 0.001348769 0.907981747 0.001000192 0.905542086 0.537439551 0.078631834 0.08055643 0.070626021 0.07396514 0.537439551 2729.57348 2506.093318 2530.235235 1773.985307 3312.513503 2173.639238 2043.743106 2027.316761 1096.468907 1344.920662 3458.345114 2933.53873 1501.921262 3266.318896 2119.53686 2126.300843 2636.788249 2016.01294 2779.322317 2040.702567 2628.110247 2328.72571 1972.05848 2565.409736 2567.374101 2214.235452 2024.015397 2450.821477 2739.839709 2570.491468 2894.872989 2259.742611 3178.927257 2341.395507 2975.156503 3199.519115 2579.712805 2170.831263 2011.293446 1964.356867 2054.6664 1673.985614 1803.359291 1909.701218 2541.204669 2918.954259 2607.216652 1922.47443 2545.029429 2605.42599 2171.555855 2411.006437 2468.556231 2462.461235 2641.665308 2870.632761 2641.615222 1789.548053 2406.47871 3602.344839 1494.111742 2669.739994 2122.091913 1985.450533 3182.065563 1845.23372 2172.057253 2197.491302 2572.842701 2649.982448 3557.021406 3138.763388 1467.366272 2676.119296 2412.549388 2561.216921 2392.314055 2282.36603 2355.182346 2004.52639 2297.93674 2131.021305 1773.978558 2286.633094 2208.532273 2963.091847 2562.582067 2201.196279 3376.002105 2525.92369 2680.117905 1800.749639 2651.538135 2696.588053 1307.68714 2067.049087 2396.211088 2129.759633 2229.219652 1815.732 4126.523179 2388.801778 2662.517837 2755.371024 2250.943127 2904.275542 2304.501525 2431.615493 1681.87711 2181.467927 1899.296602 2077.160813 1821.943676 1635.596354 1661.904431 2807.447877 1875.339786 3394.712961 2260.604185 3017.047252 3802.299024 2568.965821 2533.997479 No_result_found_in_bank_inhouse +M171T54 M170.8544T0.91 170.8544318 170.8476499 170.8556883 0.907824186 0.856731309 0.950746816 0 116 0 116 45 68.81774695 21.6928136 0 1 0 0.331773315 0.268793442 1 910.8070659 302.1814795 0.331773315 845.0901748 227.1546971 0.268793442 0.810171976 0.925519592 9.53E-11 473.1555452 1528.656377 1055.500832 0.20482674 0.202711405 0.828852751 0.205898714 0.82588821 0.898410485 0.327015996 0.820748553 0.321866825 0.819088137 0.898410485 990.0875107 849.085789 885.0940269 738.4160282 954.0289764 900.6488597 419.7727496 477.0144882 1233.877476 655.0998971 744.1426016 1310.199794 499.2751643 1469.204624 527.8960336 810.9246299 1081.733107 1008.090618 1359.502796 952.4617644 928.4026643 997.133374 805.7929947 772.6141147 1134.792906 628.9190226 855.4459821 933.6682805 1291.119215 712.3416357 1088.145953 864.9862719 597.8581585 678.3249743 1315.550758 744.1426016 998.5503286 1017.630908 558.0218102 1063.235795 1023.991101 795.024147 844.8798754 1151.194965 760.7768423 667.8202834 1018.714159 1046.251777 855.4459821 1077.716635 904.4258418 1201.378724 836.7610097 969.9294593 772.7634708 960.3751317 1074.872647 941.30859 391.1518803 483.3746814 858.6260787 929.8359802 588.3178688 505.6353575 1198.896414 874.5265617 1166.300161 610.8398805 979.4697491 1150.101936 1925.25703 995.370232 658.2799937 785.8743007 847.2266812 1065.205712 877.4211556 958.4591128 744.1426016 639.1994142 887.246948 798.2042435 597.9917498 623.2989312 1229.040004 1128.934289 1182.995931 963.5692661 795.024147 878.4203807 1099.080046 861.8061753 976.8890417 785.4838572 772.7634708 791.0534106 1239.686103 785.4838572 1113.033806 804.5644367 1235.741238 1135.935329 834.5029826 993.1430602 786.485174 674.1804766 897.0861168 1262.498345 864.9862719 900.6398975 686.900863 741.6952563 807.7445333 569.2372892 553.3368063 1119.765682 429.3130394 1084.412936 896.8815013 1080.981982 718.7018289 814.1047265 868.1663685 No_result_found_in_bank_inhouse +M173T56 M172.8307T0.93 172.8307218 172.8295622 172.8318276 0.925741667 0.841861714 1.078849641 0 139 0 138 [3M-H+Cl]2- 103.904 48 29.65548059 35.38038531 1.33E-14 0 1 0.297747675 0.16788106 1 529.7787064 157.740378 0.297747675 503.3724934 84.50670772 0.16788106 0.563836678 0.818062229 1.05E-06 366.4627513 757.8089214 391.3461701 0.454406555 0.455665464 0.89678764 0.456717033 0.898456292 0.895228214 0.738597855 0.610518283 0.737406104 0.60997047 0.895228214 374.4758107 483.1387667 443.8609746 371.4147006 492.5035872 2087.677136 456.5679451 577.4204098 576.5230189 592.5566498 581.4825721 489.5429691 434.37074 612.0757291 520.8701079 425.9546507 517.3276186 627.357358 434.6776441 378.5572909 332.6406384 618.3442542 462.2276356 488.757257 343.864709 595.896113 480.1297886 427.5350537 545.9523909 435.5202553 513.2461384 543.8824949 649.8775589 582.6313022 456.1054152 621.4283525 343.1311576 629.0764665 486.7165169 439.7794943 640.1231343 523.5335336 570.3868616 592.5253673 508.1442881 611.9261844 341.8239689 764.772527 917.8300763 644.8738757 606.0998135 585.6924124 470.390596 515.5865451 354.4689369 1383.621797 557.3866333 585.6258805 457.2389304 439.7025218 384.3639769 466.3091158 620.2448412 497.7745852 647.065114 398.196862 402.0258022 534.6739096 475.1707302 578.549822 458.1461554 482.167178 496.9079734 511.2053983 536.7146497 265.2962147 570.3868616 456.1054152 449.5025759 588.9034615 476.692132 621.4091929 499.9813277 527.8892368 664.2609068 577.5347386 394.5250969 485.4005589 718.2886878 440.7998644 552.0202005 337.8802779 480.5942966 699.2970707 472.1971986 526.5109491 458.1461554 372.353836 685.5740891 740.6834038 434.6776441 380.5980311 518.3479887 403.0461723 583.6516723 608.8168284 524.470209 477.335612 525.7627062 549.9794604 464.2279069 803.0312344 399.3901208 656.2126943 738.4870855 434.6776441 386.3105702 443.8418497 417.3313531 404.0665424 576.7900593 486.3719256 678.9002842 No_result_found_in_bank_inhouse +M173T881 M172.9858T14.68 172.9857581 172.9847527 172.9870487 14.6768987 14.46814758 14.91258704 0 132 0 131 [M-H-HCOOH]- 219.992 20 5.706645677 13.48049836 3.49E-06 1 1 0.241711523 0.193832103 1 404.9297977 97.87619814 0.241711523 389.5214379 75.5017593 0.193832103 0.801915027 0.848492387 1.62E-07 243.9649241 584.8873471 340.922423 0.543751701 0.53931399 0.79145929 0.540177416 0.799360927 0.992723778 0.413870709 0.703262774 0.421099725 0.701953625 0.992723778 343.7477952 437.7318336 325.1112525 267.7257347 436.0988634 383.3207207 364.8045636 269.3659473 493.3182792 480.0303952 365.5900749 260.1934359 439.1539498 459.3385827 479.8555751 397.444426 467.1321459 401.2175587 252.2542573 559.8569204 388.5733593 314.1398008 411.2538703 489.7830202 487.9184624 409.4608181 411.3938365 313.162721 638.0477036 330.3396209 510.8111531 348.5422702 370.1359319 474.1618734 340.449957 315.1356748 429.3552133 444.591276 384.923162 238.7002489 323.1474962 407.1768885 315.0569776 312.3349325 400.0532671 325.6147436 320.7466892 244.3921763 310.5470812 332.9519125 483.8107212 327.6493963 502.5946001 413.0259632 332.188429 316.7635166 339.2372512 243.8411969 399.2371538 398.7878989 355.801913 463.5065023 485.0367591 539.3422711 525.8970897 368.1053664 336.1487986 436.0499809 386.1907907 409.5545921 417.5971402 389.6206343 354.8636733 290.4063158 577.5972977 511.7900856 270.4284192 440.9841315 216.9467174 399.029517 463.2529608 455.6592721 392.1496078 428.8606152 410.4200314 572.9969968 670.0468938 404.4866273 429.1476375 539.7730306 411.1625725 336.155891 304.1751896 388.6405626 384.2456313 426.7406171 367.2308668 523.375045 420.799166 309.7577437 460.8649459 281.2288489 279.7789448 618.0569002 351.1507375 433.2456039 283.408465 420.7799212 367.9255351 448.5149116 436.2903712 304.7298639 476.0059815 432.0919692 456.1907706 647.1684109 357.1600213 306.8554025 360.0308772 418.3155251 292.1479002 436.0612014 462.4449056 No_result_found_in_bank_inhouse +M173T933 M172.9859T15.55 172.9858803 172.9846928 172.9870038 15.55190251 15.52616142 15.57203223 0 80 0 80 30 4.12050596 23.12638164 0 1 1 0.272964676 0.244912625 1 350.5053353 95.67557519 0.272964676 383.7345846 93.98144453 0.244912625 0.897231939 0.716745653 8.13E-05 235.2921989 635.4239585 400.1317596 0.5723223 0.57428696 0.922633378 0.577519318 0.922791943 0.926511606 0.775003295 0.836852633 0.776963517 0.837982462 0.926511606 393.8441937 404.2881528 311.5853452 370.0534016 327.8208436 344.9301492 374.9091127 286.2100552 343.7004098 332.4315065 398.6749726 293.0671375 341.6056044 229.9172285 271.0676286 388.8578123 313.7863489 314.2681394 359.8698523 437.9628603 241.649185 222.4750381 225.5893964 284.7288579 268.9154876 269.2069757 154.7884885 407.197628 449.3040213 202.6444967 265.979496 360.1618863 366.8931043 260.111609 345.8347797 458.0809907 282.4211067 275.4763055 327.1868644 322.0872657 339.2644794 464.4905666 410.0545233 359.0859308 401.2303864 438.5812632 298.4898216 434.8456694 365.8876673 240.4405603 310.2821683 424.9964579 317.0472549 392.7334734 254.1302949 128.567193 240.2286241 257.0965339 456.660478 375.5139126 375.9730182 259.2557631 355.5730886 244.2287909 317.9704433 506.0712476 237.0501612 338.1459518 474.1174273 333.0501144 317.2146409 383.9216258 324.2601279 286.8320491 277.4649649 568.9068014 369.8755763 557.3221191 268.2958531 262.2785435 340.4761246 337.8642001 197.7073121 374.1790287 318.3885634 339.0180478 312.9259724 321.4995226 518.2915804 258.126537 305.7659265 341.0232844 345.1004547 274.5162827 280.3613854 518.140038 467.6609374 427.209788 331.2588045 262.9010197 349.1977718 219.3679601 346.0925458 168.8187495 378.6260073 441.9552165 434.7090944 619.865502 240.851375 440.1933548 249.3730206 276.9951085 358.1429057 358.2017581 458.8522658 236.9477891 369.7920349 512.3405411 280.1669863 310.2348059 600.2423639 443.9269584 327.6720985 No_result_found_in_bank_inhouse +M174T55 M174.0884T0.91 174.0884339 174.0879021 174.0887311 0.913374216 0.901399398 0.926083401 0 86 0 86 [M-H]- 175.095 45 Inf 49.34007315 0 1 1 0.338727737 0.109473302 1 7646.330927 2590.024374 0.338727737 6786.306452 742.9193761 0.109473302 0.323189659 0.981323938 3.05E-17 5118.279795 8928.957432 3810.677636 0.638905339 0.639419382 0.828852751 0.629031279 0.82588821 0.358619625 0.859653827 0.53149086 0.854180076 0.508387933 0.358619625 8374.999167 9906.447969 5347.011694 7554.827211 16007.82522 6274.7448 7465.618218 8177.559178 7912.863971 6571.064549 10007.70093 8055.974681 4577.254887 8547.250977 3634.653496 4668.837559 4536.738531 7618.662713 10204.82138 6862.485948 12915.23555 8757.535979 11483.14511 4321.399943 7673.449175 6291.116884 5503.939217 3855.976878 10395.79083 13716.37442 5855.986507 6518.916357 5793.631915 6254.54215 7936.061877 12347.92206 6529.029724 8908.361558 8233.369732 7105.114624 9343.514549 6717.880481 7602.337291 7833.990318 5917.248853 3963.193737 8047.046218 5382.16868 9392.173136 6326.250796 5646.812812 8249.787145 9780.55972 6051.87882 6823.855193 6995.217824 13071.42163 5924.823476 6847.146423 5598.827601 8081.255628 5960.94301 10928.60555 5565.893324 10159.01341 12545.44577 6856.456277 5589.874811 6245.326366 7492.081537 8163.925938 7450.682576 8784.099299 7932.81145 6423.193033 7965.990546 6624.4621 6386.439369 8849.409369 8934.970822 15296.16186 11868.14023 6322.017709 5140.981651 5785.030075 9873.319723 5171.909345 8626.889166 6349.152898 7707.451072 7057.982838 7941.877165 8504.666693 8617.850612 4173.884679 8648.335958 5375.883565 6251.503531 8099.950092 6347.116873 5689.320049 5563.0404 5541.908806 5212.180659 9432.15159 6987.013307 10071.46556 10647.65872 9502.823081 6229.217868 9025.547348 7725.970558 10416.65713 5641.203954 6549.82648 7747.06396 5702.044752 13961.97529 4574.767793 8020.003523 14249.66436 7431.323577 3962.66638 0.0000339#174.0884#0.043374216#0.87#L-Citrulline#C6H13N3O3#C6H12N3O3#174.08841#93.22#174.0884#0.87#-0.057442078 +M175T880 M174.9561T14.67 174.9560974 174.9554265 174.9567768 14.671189 14.64930687 14.69054577 0 336 0 336 [20][M]- [M-H+HCOOH]- 129.966 20 5.184752627 100.3786958 0 0 1 0.069710059 0.048980165 1 9060.060065 631.5773203 0.069710059 9015.464334 441.5789311 0.048980165 0.702626936 0.842919034 2.35E-07 8255.204944 10086.64703 1831.442081 0.870450776 0.871385713 0.864302739 0.868402233 0.867627357 0.897437208 0.846628184 0.703262774 0.845821483 0.701953625 0.897437208 9498.026478 9609.500495 9320.54736 10184.7935 9189.092674 8812.224018 8869.543829 8486.921777 8969.520077 8506.433517 8577.869492 9074.726743 8509.924645 9449.060389 9874.181796 8543.549362 9242.417966 8930.65876 8439.903695 8945.333356 8799.684732 8325.121005 10308.25723 9543.360818 9174.898737 9900.248174 8734.272544 9783.536363 9140.869944 9580.011102 8480.415233 8080.491533 8444.674514 9418.932523 9201.906428 8411.166157 10096.79846 9648.684884 9163.324012 9451.727578 9567.061584 9298.564361 9611.844608 9876.203418 8727.342701 8620.300418 8916.396543 8739.959033 9263.839778 9512.494884 8842.125391 9119.918793 9728.556419 8457.248065 8810.379669 9713.123452 8959.618082 8542.228515 7412.074119 8494.802753 8680.320327 8824.763303 9050.715152 9094.452869 8342.289955 8704.144615 8437.010014 9636.923179 8965.76291 10433.65009 9167.182253 8842.565833 8676.298954 8897.105335 9066.867969 8821.869622 9044.68308 9609.915487 8935.311459 9596.076639 9192.410989 8747.372001 9446.904776 9138.813636 9184.544341 9444.366269 9038.545715 9148.522778 9271.064336 10301.50531 9279.071262 8719.158161 9003.206981 9193.847951 8787.126019 8905.786379 9590.624279 8967.946595 9128.949099 8689.841543 8559.509187 8336.69573 9185.508901 8962.695444 9177.792418 8669.548232 10004.4207 7978.515707 8835.077938 9638.8523 8966.936321 8699.370448 8314.384113 8010.763031 8736.55656 8069.512493 8425.870225 7981.566958 9195.154505 9052.399563 8907.392526 7680.91315 9286.966673 No_result_found_in_bank_inhouse +M175T56 M175.0724T0.94 175.0724447 175.0714287 175.0730931 0.935954084 0.90685323 0.947161471 0 108 0 108 845 Inf 43.6059944 0 1 1 0.375662993 0.210501655 1 2169.217676 814.8948048 0.375662993 1942.272227 408.8515175 0.210501655 0.560347062 0.976785047 3.27E-16 934.64896 2861.412828 1926.763868 0.688159376 0.689524815 0.907981747 0.686325257 0.905542086 0.877941452 0.745015672 0.949139883 0.742666323 0.949936104 0.877941452 1526.262819 3623.874893 987.0166217 1615.439567 3387.013294 1033.19085 2226.033275 2050.293279 1044.52809 1626.747192 774.2487226 2113.016515 1553.269228 2330.21902 886.589903 792.5819298 1738.697402 1355.017533 1160.584515 2503.436778 2653.922903 1822.147808 2043.282903 845.8130227 2392.301698 2340.321253 2831.50719 1899.65491 2041.438154 2836.238311 2376.450958 2985.855012 2671.10528 1721.255236 2349.504699 2312.61593 924.4990713 3221.557348 2384.768126 1351.611283 2350.649862 4171.093953 2054.604307 3362.358779 1633.175948 1866.866589 922.3987091 2969.111254 2046.423078 3487.309977 1000.032186 2881.576464 2361.215827 1491.234517 2799.742218 1515.860763 3220.880115 2595.310951 1870.189876 1570.148394 3331.506049 2440.444114 1257.901576 2004.503085 3138.846176 2919.42854 1369.340381 497.562321 2324.664216 4585.934661 730.5947158 3602.216745 2474.814153 2009.1082 2517.680897 1869.215228 1239.492982 2001.17223 1181.611745 1172.813842 1198.021458 1490.213709 1954.679519 1866.162777 3253.381749 2687.667002 1517.275907 1397.893951 1975.042581 1684.487228 1579.401194 1008.80979 684.1009173 2440.799923 1302.472779 2490.856057 1523.160621 1334.651733 1209.172895 3270.704535 2035.783923 808.6393898 2019.055023 1881.953779 1895.648211 2870.666616 1751.782267 2719.585482 2530.669947 2939.025337 1840.880947 3127.729957 2395.590825 2413.149291 2575.471534 1653.781965 2440.45689 2035.017018 1662.801744 2768.725482 1631.217362 1512.670978 1795.528303 No_result_found_in_bank_inhouse +M176T45 M175.9684T0.75 175.9684358 175.9592753 175.9695901 0.74551907 0.720388126 0.790418939 0 70 0 70 1016 Inf 45.01142354 0 1 0 0.370240304 0.290493453 1 434.5995554 160.9062716 0.370240304 424.8420978 123.4138478 0.290493453 0.784607859 0.741187196 3.42E-05 207.1125791 693.7922843 486.6797053 0.435247538 0.437791455 0.965227664 0.43998644 0.96610102 0.924056199 0.803335144 0.699823706 0.804047976 0.701953625 0.924056199 298.8491007 317.4523192 582.5855843 452.2171778 381.6064464 764.1407619 503.278067 377.1820238 391.5613972 374.9698126 307.4973684 1208.973466 487.792588 603.9336804 702.3770825 161.4914237 700.6221609 534.249025 182.3204129 322.4126983 234.2118864 357.1411426 508.0775968 172.1993358 376.4061392 521.2441784 759.8945759 267.3854781 347.3171715 564.1138773 341.9781097 470.0948977 793.0777451 385.970197 502.5203498 341.7866433 248.8737694 570.7505111 483.7692877 472.1875542 443.5483623 407.0468762 505.7059519 456.82163 361.3571848 621.6313707 577.137145 679.148864 1111.63617 184.4801279 444.5510507 154.4505504 641.0267301 764.3189985 373.8637069 573.2650854 282.0569386 432.4873059 188.0379591 402.6224536 269.8897766 357.1943841 251.0859807 460.139947 339.574432 527.6123911 435.8043667 360.714268 379.3942351 430.2114684 417.1220382 541.9917645 557.4772434 297.5433726 502.7524127 357.6490665 376.2924784 455.9180866 326.3011643 343.9988546 245.5554525 381.6064464 420.402932 717.8625615 468.2985118 429.168989 651.496223 340.6805377 502.1719614 609.3765408 462.7212872 527.6123911 182.9934609 206.841755 402.6224536 672.590976 529.7838072 363.9087561 492.2170106 565.2199829 453.8658455 433.6923992 572.9483738 477.3636286 184.5636442 447.9727849 229.065537 504.3841726 716.7564559 392.7997789 328.5133756 377.4993159 140.4754165 491.1109049 216.7967058 367.0418382 586.2359901 318.5584248 614.2324123 592.740314 515.4452291 478.9437429 305.2851571 No_result_found_in_bank_inhouse +M179T56 M178.8578T0.93 178.8578493 178.8570104 178.8586556 0.925741667 0.908488847 0.946515815 0 110 0 110 [M-H+HCOOH]- 133.864 [M-H+NH3]- 162.839 [M-H]- 179.864 48 Inf 56.14678748 0 1 1 0.249747201 0.236240128 1 640.573802 159.9815142 0.249747201 639.625091 151.1051134 0.236240128 0.945917019 0.873175224 2.59E-08 348.0003666 966.4563172 618.4559506 0.003295286 0.003182463 0.812332331 0.003512073 0.810685871 0.996694631 0.019608827 0.329174737 0.020691996 0.337850584 0.996694631 437.8208458 615.6804696 616.4374117 432.3569339 532.8567783 634.6185975 497.6790017 530.2446568 666.9534548 491.3025277 682.2248324 662.0207171 684.7467657 569.4681581 710.5588783 692.4089659 755.2674965 712.6468932 687.7934255 420.2117962 421.3801839 799.2350456 482.5622281 645.942009 1098.552303 748.3811357 759.9240376 437.9750802 622.8165304 741.8445283 746.1993624 588.7434855 582.1999633 618.6907449 667.7711437 671.8753899 613.4590315 490.2346818 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889.1609914 No_result_found_in_bank_inhouse +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 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2190.126581 2406.205502 2158.787152 2450.634848 2505.391544 2891.812811 2095.757876 2812.300246 2277.222412 2654.008851 2320.361139 2172.934069 2643.190797 2636.128257 1938.341722 3104.495595 2542.011384 2353.794312 2164.56935 2966.531744 2653.473862 2254.743942 2216.433806 1920.950812 2679.035253 2512.41615 2081.85701 2376.589658 2208.25731 2188.744858 2657.74824 2204.402853 2008.085472 2375.627987 2382.841552 2665.915237 2418.689047 2562.637727 2460.262824 2006.639002 2446.714504 2077.633129 2600.942593 1961.156073 2536.026429 2510.956169 2489.353335 2305.904322 2519.295676 2253.975515 2175.200432 2385.75175 2596.138604 2748.187305 2483.455054 2406.747412 2307.997519 2313.130516 2644.439349 2969.962557 2389.146325 2493.80638 2435.150218 2315.887978 2146.438001 2765.347421 2206.070871 2635.266965 2605.397769 2561.991759 2600.017375 2641.082783 1908.615431 2375.815735 2715.627871 2469.020796 2464.551126 2211.268338 2296.03782 2081.8966 2194.85719 No_result_found_in_bank_inhouse +M181T48 M180.973T0.81 180.9730491 180.9727334 180.9733707 0.806033333 0.7871 0.823266667 0 279 0 279 [26][M]- 445 1257.067353 423.4359215 0 0 1 0.029114909 0.026170641 1 180914.39 5267.305971 0.029114909 180352.8203 4719.94891 0.026170641 0.898874221 0.799443697 2.78E-06 162809.9075 188973.5226 26163.61511 0.641000227 0.640570064 0.850640686 0.643920867 0.847427448 0.897437208 0.62396837 0.891965135 0.625982701 0.890589914 0.897437208 176167.1831 181620.5489 186353.7972 178421.1383 181385.3255 175238.9041 179627.9162 180983.9299 183083.2308 190862.9321 184131.2354 180377.8818 181612.9269 176912.2397 191287.7781 176320.966 189078.5152 175193.1482 173156.1353 168529.0058 173151.0405 179046.7841 184900.7501 184095.7661 188822.7544 186290.6212 180201.7385 176063.2485 178505.095 174490.7847 176717.4253 179319.6626 177819.2154 188223.6018 179110.979 179169.238 184077.2922 179333.0055 193300.0958 183260.2131 186830.1603 168505.3043 187389.0677 181004.9466 178634.1024 192421.6694 178648.368 180995.4152 171713.7562 185791.3273 184368.8493 183576.0929 186456.7128 182174.5022 174288.4384 187218.9002 174342.6349 183715.4403 183506.2657 177769.8512 174710.472 184928.2622 184792.5837 178935.6167 175133.1517 169719.0744 182509.2343 171237.4203 190004.5247 181103.0597 172522.3378 180147.1704 186790.8565 170370.2793 178734.9802 176699.0839 187041.5999 190219.7583 184122.3442 173915.9773 174218.9206 178574.5198 183062.5334 174549.8822 184592.003 179388.4497 185060.9385 178677.2013 180100.9745 180794.3127 183490.4996 175917.3992 184286.3129 181863.7266 179743.7416 186080.714 179907.8113 184659.1077 175698.2225 171819.5366 186778.7064 179960.7976 187443.073 189691.9334 180414.238 182308.9934 172893.2418 179358.4046 178533.409 179252.6155 174939.1664 188914.4615 184499.2258 190533.5166 186049.1058 185018.9503 187285.6341 189371.2005 184392.2855 178370.19 172999.6649 178050.8328 192309.5321 No_result_found_in_bank_inhouse +M181T933 M180.9731T15.55 180.9730725 180.9719859 180.9746087 15.54984771 15.53558531 15.7071863 0 246 0 245 [M+Cl+NaCOOH]- 78.0162 [M-H+NaCOOH]- 113.993 30 4.214957754 64.57716786 0 1 1 0.144744022 0.124048893 1 1606.023825 232.4623476 0.144744022 1652.610995 205.0045639 0.124048893 0.857022564 0.830133095 5.22E-07 1323.53139 2240.640754 917.1093638 0.800950374 0.804347833 0.907981747 0.806659293 0.905542086 0.970545484 0.97271443 0.678594721 0.973061143 0.679778253 0.970545484 1568.637887 1607.758724 1573.965579 1373.758584 1607.94026 2498.026071 1806.945405 1725.875442 1495.074284 1289.737816 1529.554568 2226.637497 1428.939999 1518.580592 1649.161445 1619.973425 1372.566045 1908.466138 2178.453785 1511.819312 1555.727654 1466.203695 1307.597841 1575.684801 1377.973138 1455.787194 1914.797636 1132.561807 1635.112793 1049.103406 1278.691852 2020.755777 1532.043047 1522.313461 1225.778685 1599.605594 1442.857182 1558.712115 1231.336011 1474.742984 1695.187746 1441.429677 1712.89458 1552.131202 1548.831319 1400.390514 1390.80513 1441.300262 1291.254892 1723.975681 1375.203703 1248.051244 1507.183584 1775.449967 1404.156601 1867.726712 1628.40508 1461.202938 1543.617726 1714.924051 1721.177884 1871.767209 1634.474375 1470.203754 1412.309083 1648.364756 1875.801708 1612.212322 1793.471121 1205.491957 1491.672136 1282.458042 1421.119846 1560.200837 1459.807415 1497.220648 1278.743774 1757.333831 1534.627594 1311.349312 1451.650457 1676.201461 1422.3073 1315.442014 1677.74697 1486.597416 1800.691441 1750.439091 1882.529005 1733.572434 1322.683011 1535.606985 1694.945431 1532.762481 1812.578573 1636.613876 1624.396927 1595.495668 1624.4326 1628.484915 1316.01965 1574.588107 1571.239918 1242.421853 1632.963054 2020.23141 1569.976656 1652.932159 1572.913048 1316.121189 1649.105963 1850.282692 1334.172708 1943.806326 1483.757631 1444.59836 1647.983865 1642.056693 1381.49097 1582.335938 1652.232772 1679.938526 1770.414876 No_result_found_in_bank_inhouse +M181T880 M180.973T14.67 180.9730377 180.9722113 180.9739106 14.67437679 14.4544918 14.91968722 0 297 0 260 [M-H+NaCOOH]- 113.991 20 6.225017864 44.09088349 1.22E-12 1 1 0.140704867 0.130275056 1 1313.485803 184.8138448 0.140704867 1332.437584 173.5833804 0.130275056 0.925874554 0.810343492 1.59E-06 1080.620051 1953.223036 872.6029851 0.091061537 0.093024247 0.87036886 0.093374239 0.870403889 0.897437208 0.448317409 0.364837324 0.448648926 0.36824439 0.897437208 1446.62124 1173.10207 1147.298202 1274.222127 1288.280617 1586.177132 1127.029177 1237.947595 1200.232266 1156.390516 1448.275229 1359.125863 1293.186567 1200.415067 1645.14691 1558.924501 1262.481491 1124.002736 1161.06655 1069.101307 1502.931128 1086.934489 1261.436499 1295.696104 1485.033184 1162.117292 1185.950055 1393.513153 1190.79288 1290.11634 1415.313699 1221.035809 1244.297429 1251.910605 1428.223011 1379.221371 1344.808504 1732.45526 1403.572329 1195.192071 1148.177962 1335.73785 1345.744264 1865.341193 1408.032012 1357.250354 1390.591846 1455.542388 1257.824754 1212.819642 1465.241364 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1256.7772 1279.139845 1277.921782 1680.608039 675.1245876 1825.450369 2636.132126 1702.457686 1141.582794 709.3693398 1557.13937 1861.966787 1976.682447 2378.379249 1917.127747 2160.045441 1273.906297 2019.721744 1894.24421 1724.359352 2544.412779 1451.242783 1703.07019 868.7703849 2606.096355 1770.839927 1937.444381 1672.714155 2122.355418 2001.419016 1697.183327 2357.477971 3089.827859 2254.139597 3619.805381 876.6655165 1678.434433 2243.075799 2285.337862 1673.064523 1817.910348 838.5820081 861.967345 937.3795399 982.9244169 1447.353917 2836.426845 1151.55236 1843.830446 1318.53738 2392.294495 1101.518272 2458.344319 2574.438747 949.9916515 1629.04268 2337.996371 2498.975085 1475.25708 1577.236408 1147.25236 1428.456281 897.4933918 1336.275759 698.3169405 952.4768184 2796.250548 No_result_found_in_bank_inhouse +M184T52 M183.9629T0.87 183.9629099 183.9622856 183.9642105 0.872191071 0.852272066 0.890025101 0 123 0 123 751 Inf 44.87227913 0 1 1 0.38849645 0.258491219 1 1469.526 570.9056344 0.38849645 1424.612464 368.2498125 0.258491219 0.665363143 0.782750237 6.16E-06 700.2564336 2649.776743 1949.52031 0.94528967 0.946630407 0.907981747 0.946659897 0.905542086 0.895228214 0.802644269 0.959003696 0.797352852 0.958349779 0.895228214 1296.318551 925.7538401 764.2491229 1784.138801 798.7425628 857.8559603 644.9693003 898.1972755 1138.862389 1578.357524 603.7215596 447.7654055 1125.267752 589.6484514 848.4702734 446.4167583 1147.14623 1507.694707 1382.78822 823.7073646 1470.663463 1104.222554 2428.829952 1227.63457 1306.790898 1965.575539 1415.733204 2132.316704 1918.664836 788.2088584 1655.834961 4100.471389 1373.642401 1599.359341 1111.290645 2959.340922 1265.362855 715.0087882 1009.434854 1058.768436 1444.745944 1080.675356 1151.44316 1999.776025 1165.825947 1138.406451 995.2959846 1344.0149 1830.060858 1811.966592 1270.29831 989.9932898 1292.657797 1215.189511 850.3342219 672.5210524 2238.045235 1101.376035 855.6083713 2319.23137 555.8531921 1530.758497 1286.817483 1326.798759 911.3167048 630.3519354 916.3535829 744.2746157 1430.896282 1232.413437 947.8103326 1510.560461 876.7690174 1207.968256 1224.700428 1597.960127 748.625464 1153.007195 978.0874067 843.965391 1541.768742 1418.322178 1388.375914 1104.125702 1503.322151 1588.985886 1218.743641 1552.528736 1541.056166 1592.747191 1044.89497 1219.752513 1339.953265 1944.618746 1352.504547 1265.977869 833.941827 813.5307058 660.3374082 1298.381294 418.718644 685.9981899 1253.805719 1503.312141 2096.921812 1796.424259 1960.036293 1093.763089 2403.861594 1518.368959 538.4444599 2158.30804 1497.169484 2022.173578 1345.877747 1045.345521 2003.707549 2209.175248 885.9123795 1526.30835 836.5578969 840.8946955 2917.575744 No_result_found_in_bank_inhouse +M187T49 M186.9294T0.82 186.9294397 186.9286335 186.9302034 0.821678074 0.786170453 0.840149929 0 75 0 75 [M-H]- 187.937 16 Inf 35.03307623 0 0 0 0.482400651 0.167529855 1 4248.63517 2049.544372 0.482400651 3937.061458 659.5753337 0.167529855 0.347283641 0.903429463 1.49E-09 2820.04353 5668.29925 2848.25572 0.07936992 0.07473698 0.745030178 0.047984894 0.695696123 0.004499537 0.254001584 0.151341986 0.176569102 0.113039029 0.004499537 4234.965038 6342.974584 1015.111103 2826.408025 7885.957615 3707.272491 4005.094227 2314.474547 2592.643599 3313.722601 3085.966062 2794.293657 1780.642028 2793.393434 3496.467965 3745.829867 4182.29905 3238.103829 8358.402101 3456.334548 7288.559678 2698.357387 6511.994521 1554.16298 4850.434232 3218.821269 3765.634784 2445.354111 5539.975247 3744.929644 2706.618719 4447.103952 2731.278014 4609.822953 2077.724861 4798.191106 3011.247514 4023.098697 2900.760008 5185.018156 4265.258811 2330.678569 5139.580833 3310.121707 3012.287982 2556.634661 2824.342692 3009.447067 4194.141156 2628.13607 3123.815957 2016.797542 12002.68194 3876.362271 3884.464282 2698.357387 4556.931215 3900.668304 2902.320474 3828.650427 5670.50765 6484.112527 4101.418139 3491.066625 7638.39616 6212.442181 3223.984601 2267.735485 3969.085288 3579.221854 9783.481778 5229.398149 4105.019033 2544.490089 3713.46849 3449.105883 3913.805778 2881.139346 3100.369638 4311.170208 5530.072789 5248.302842 3076.313301 4211.245402 5492.752752 3416.348076 3959.18283 4500.217137 3160.68461 4966.092872 8229.318797 3138.179024 3447.04055 3351.531986 2339.680804 5091.04551 3011.255316 3614.39724 4079.812775 4763.082391 7563.248949 3104.195295 3138.273287 2650.854731 3024.67998 4302.167973 6334.375895 4547.928981 5666.006533 4556.124298 4041.103166 3517.261868 2395.494659 2965.336117 4170.735346 3754.775147 2061.511751 6522.119055 4754.396253 2164.468842 5872.157708 2324.377005 2989.642151 No_result_found_in_bank_inhouse +M191T910 M190.9284T15.17 190.9284318 190.9277093 190.9292211 15.16724746 15.14115507 15.20571019 0 313 0 313 [M+Cl+HCOOH]- 109.955 7 3.412938121 43.12755889 0 1 1 0.110735518 0.092555074 1 3134.309235 347.0793563 0.110735518 3147.385093 291.3064597 0.092555074 0.835821023 0.750810613 2.37E-05 2567.528187 3784.395602 1216.867414 0.975939116 0.975977533 0.907981747 0.975955476 0.905542086 0.895228214 0.859653827 0.849414503 0.859809465 0.850205389 0.895228214 3089.935221 3134.69689 3815.762193 3765.867026 3351.505885 3047.521632 2596.18436 2809.862486 3242.774702 3403.934361 2797.843387 3069.309811 3244.724706 2737.026102 3442.763631 3180.574076 3161.879979 3081.934962 3134.475658 3087.564437 2543.624177 2913.851157 3347.306251 3150.389238 3366.358153 3088.501299 2681.113087 2919.085755 3042.353907 3837.029132 2829.264911 2638.421195 2826.725446 3070.481645 3072.149244 2981.514003 2869.537956 3185.759697 3366.861922 3143.905382 2535.23929 3214.238822 3051.703386 3596.225215 2950.253656 3909.993936 2611.299786 3429.267038 3038.045536 3168.748878 3051.937803 2705.776222 2965.747373 3353.098716 2927.193499 2924.540344 3544.020387 3102.514127 3243.917949 2562.695541 3279.981806 2985.803392 3404.610816 2922.935585 2825.703255 3031.229735 2921.859249 2865.354044 3846.14098 3089.21053 2759.538094 3955.048053 2502.725691 3412.214473 2775.388882 3316.459122 3508.298592 3329.989448 2991.727332 2859.413497 3159.906192 2985.815449 3450.4656 3154.806401 2645.208412 3721.004229 3031.669325 4266.484814 3401.95435 3054.463166 3143.356512 2719.170075 2680.199954 3322.564971 2214.816583 2779.854891 3402.459452 3180.508224 3117.83592 2704.547908 3207.243009 3281.788427 2925.786758 3063.888757 2737.100577 2271.313358 2691.682782 2444.855778 3747.792903 2868.980755 2983.698091 3001.265597 3531.253635 2517.996561 2642.689783 3468.384355 2977.270188 2920.231172 3319.03768 3172.946559 2989.432711 3186.588463 3073.169835 No_result_found_in_bank_inhouse +M191T880 M190.9284T14.67 190.9284228 190.9276005 190.9292268 14.66725271 14.43895579 14.69194227 0 375 0 329 20 4.15064365 52.66016455 0 0 1 0.107466839 0.074482793 1 3031.390573 325.7739638 0.107466839 2998.605603 223.3445208 0.074482793 0.693076986 0.877576257 1.79E-08 2393.060027 3658.667812 1265.607785 0.364808166 0.371184624 0.977327172 0.370060595 0.977780827 0.91798044 0.771921577 0.678594721 0.770906765 0.679778253 0.91798044 3020.378918 3222.921815 2841.143742 2935.197844 2450.051592 2821.623079 2612.797 2528.961045 3067.636168 3179.552012 2887.033572 2807.404345 2836.038969 3510.197883 2974.070257 3092.320137 2787.018267 2952.521824 3129.517169 2722.245159 2794.11669 3172.107706 3136.615592 3010.618587 3566.070174 3447.171592 2781.735406 3585.590837 3429.402665 3033.510495 3002.632861 3174.468114 2765.875692 3879.288082 3177.431524 2680.072398 2809.28411 3069.101118 3149.925135 3456.04462 3247.900195 2905.313909 3590.027351 2762.85544 3478.227191 2762.012085 2794.11669 2563.875089 3106.572903 3327.385706 2599.797365 2958.267718 2620.205331 2765.989928 3049.041123 3293.668198 2698.882418 3218.542676 2477.073755 2679.81901 2953.997194 3195.177581 2876.068196 3134.440761 2365.105397 2898.761301 2870.424736 3256.401478 3190.226822 2973.351867 3322.061889 2917.326872 3263.651855 2891.720004 2885.508884 3882.837293 2883.734279 2852.678679 2822.091196 2854.35318 2488.627502 3905.206041 2706.273708 3257.220197 3258.176083 2629.550639 2925.351791 2692.3211 3137.420547 3137.502895 3001.745558 4182.774588 3281.245958 2799.303347 3113.790449 2714.259433 3094.912358 2870.618122 2967.067469 2731.995402 2981.337593 2886.396187 3924.540527 3144.601318 3098.46157 2583.749728 3189.853764 2800.511015 2879.409671 4092.240767 3460.375652 2603.346576 2878.782813 3347.750396 2850.105062 2899.70573 3142.059737 3156.439057 2666.345079 2920.113696 2688.458602 2704.005071 3347.249636 No_result_found_in_bank_inhouse +M193T880 M192.9289T14.67 192.9288687 192.9280703 192.9298869 14.67308353 14.65289383 14.92215877 0 363 0 317 20 5.42015685 44.65536343 1.86E-13 1 1 0.130119173 0.098627144 1 1680.233104 218.6305424 0.130119173 1691.193315 166.7975662 0.098627144 0.757975487 0.896503735 3.09E-09 1313.630331 2015.458643 701.8283125 0.975939116 0.975977533 0.828852751 0.975955476 0.82588821 0.973919844 0.588714059 0.999878042 0.593491865 0.999878616 0.973919844 1871.40544 1783.484086 1582.359961 1756.044966 1564.134802 1581.867066 1486.539615 1739.501859 2110.80927 1315.18432 1590.681973 2017.240866 1555.002228 1454.516945 1811.242023 1886.572716 1901.967093 1579.965873 1697.681552 1353.023269 1819.241466 1830.743375 2009.844234 1559.747736 1784.110371 1572.996156 1994.039275 1384.397846 1628.307807 2024.836831 1328.783324 1901.034319 1927.760853 1505.28926 1547.768949 2031.689922 1754.033683 1530.935688 1934.688143 1789.358425 1520.275382 1382.234006 1606.266744 1673.358905 2019.572665 1344.753287 1814.402194 1765.470033 1737.24884 1778.690759 1757.721924 1549.354341 1379.845987 1521.760347 1930.527748 1575.821312 1265.519643 1372.517088 1774.438692 1825.242724 1776.988521 1474.707449 1902.964707 1456.474292 1507.481207 1726.873305 1751.68783 1714.410761 2232.936788 1539.014862 1763.687618 1663.98643 1598.942258 1841.948351 1475.798794 1752.205375 1576.423752 1657.534421 2042.386356 1651.118396 1609.904036 1812.17184 1509.38078 1883.674706 1604.199744 1725.864707 1554.937003 1676.79393 1964.781665 1511.534063 1439.869417 1823.667233 1565.932643 1341.849157 1967.952681 1668.957737 1585.576297 1410.954993 2008.628749 1594.623872 1429.521821 1511.282789 1497.166412 2008.171036 1700.286477 1466.01655 1497.138386 1942.670591 1539.964744 1659.085823 1855.063095 1586.799344 1478.004891 1651.331519 1662.937164 1419.791795 1771.786022 1672.908641 1413.416941 1888.16369 1868.123499 1905.453126 1397.520712 No_result_found_in_bank_inhouse +M194T56 M193.8155T0.93 193.8154793 193.8145774 193.8164562 0.929522278 0.845881007 0.96413313 0 154 0 153 48 Inf 55.77797973 0 1 1 0.21022493 0.205304462 1 578.150748 121.5417006 0.21022493 553.1149545 113.5569679 0.205304462 0.976594267 0.911316878 6.07E-10 307.0799704 826.3267722 519.2468018 0.879448725 0.879544579 0.828852751 0.874915149 0.82588821 0.498628159 0.658555572 0.891965135 0.648694085 0.88363401 0.498628159 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481.4940113 717.1573063 749.5897815 767.6197864 700.2699481 578.8787808 708.8176745 634.3184582 741.1893534 871.3626404 697.1338049 665.0538087 561.2364465 660.2901556 570.6972835 607.9186513 497.2075203 443.602666 694.3322702 652.2246841 727.7419129 540.4792475 555.5168713 616.3338883 609.5461818 596.5815414 390.4242937 515.7475743 563.3376994 499.8077189 475.1370001 564.0749297 512.867217 614.2287907 452.7564993 483.1054834 450.0735097 700.7043724 592.1887639 No_result_found_in_bank_inhouse +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse +M196T55 M196.0746T0.91 196.074595 196.0741599 196.0751342 0.910004822 0.889752375 0.927904862 0 96 0 96 [M-2H+Na]- 175.095 45 Inf 45.03100198 0 1 1 0.335702068 0.180504915 1 4896.964227 1643.921016 0.335702068 4746.994831 856.8558966 0.180504915 0.537693783 0.982841719 1.21E-17 3042.299468 6434.84018 3392.540712 0.00070813 0.000773369 0.977302209 0.000815442 0.977137807 0.897437208 0.170696644 0.050187272 0.170822229 0.046960903 0.897437208 4072.699285 4671.483892 4361.642443 5433.351466 10832.02219 3132.304198 4365.35642 3061.629212 4071.007526 2848.860907 5138.900156 5352.137066 2365.639926 5520.677978 2978.995822 5845.971496 6434.939738 3033.447878 6732.918652 4685.593023 7909.289944 4495.555675 8550.34261 4978.449347 6037.626091 3500.504222 3943.576157 5623.196483 6438.549795 4171.906989 3621.796155 5148.199143 2972.635377 5711.186746 5180.027944 5297.167112 5152.912221 6010.171946 3288.039994 4446.430054 6790.239804 5724.844696 4373.333975 5727.12078 4372.199246 3007.847587 4097.36168 3809.672172 7021.68935 4837.576956 3828.937162 3636.427469 2553.516351 3893.104363 7247.77676 4017.843525 8535.796133 4338.482544 3913.210481 5276.716939 4997.111022 7969.370109 5138.734827 4274.28148 6893.063234 6454.666651 3129.185749 6387.301925 3940.325637 5429.982673 4443.288733 3927.803973 5196.344651 3344.406005 4356.983551 3771.57668 5863.12306 3230.973233 4530.723197 7339.839843 7360.270141 13331.86866 3815.241102 4374.928069 3245.754265 3491.653256 3672.023712 3436.928881 3968.083025 8173.243015 6192.77478 4623.020404 6055.669048 3672.851398 4187.263565 3527.229767 6052.470482 2061.364701 4261.081412 4690.564376 4954.418751 3532.85846 5220.375272 2214.95088 4390.91469 2873.101258 6633.467565 3527.688402 4474.15584 4087.048916 6072.135784 4821.604531 4913.141439 3814.177398 4326.083445 4271.493526 4582.458253 9026.096834 2441.38179 4769.252551 11661.74382 5634.029835 3307.960659 No_result_found_in_bank_inhouse +M197T56 M196.8335T0.93 196.8335338 196.8318273 196.8351908 0.925748065 0.902741178 0.945916638 0 75 0 75 848 41.03276728 29.03415273 2.22E-16 1 1 0.31647299 0.25732889 1 265.6043255 84.05659508 0.31647299 255.2528275 65.68392675 0.25732889 0.813114856 0.864427794 5.16E-08 101.3345166 504.1059387 402.7714221 0.862165745 0.860632681 0.917465563 0.860312789 0.916454701 0.897437208 0.853760516 0.990076385 0.854180076 0.990475666 0.897437208 192.306497 284.9999458 178.0684229 254.1949552 290.7905509 297.7088578 220.6026115 298.8716129 267.8810138 257.4410129 326.5195194 266.1830618 276.5621885 271.1844374 286.0888106 220.738783 146.9134897 308.7747608 226.4997577 337.856475 224.0855291 451.1284772 209.3056648 250.1213915 381.9985436 401.5343369 230.937842 168.4716044 346.788447 178.4538675 243.8089434 234.3077379 220.328379 332.6252603 251.469663 161.8239931 320.9580318 396.222846 281.6590866 260.9319796 354.3772348 283.5043558 328.638509 286.6026799 206.8282965 191.7424371 190.4602845 294.7504406 327.235839 226.2868433 342.1555848 260.2884195 255.2239255 465.8847342 285.8273931 118.4227595 332.6274323 217.5813821 196.2654505 206.315372 295.9848246 257.3396138 290.048367 221.2087006 230.5537627 225.7278658 287.7729308 254.4234207 217.8377093 98.01298139 170.9890756 267.9236574 250.4890943 229.0652748 179.4245743 305.7649321 283.1479945 219.9113266 155.0909132 381.8189219 234.9092749 269.1207777 748.2205844 138.105437 246.0846666 350.5524594 244.2961718 296.1049046 152.0411901 199.3436423 157.5078925 396.4079281 176.9783075 248.4304264 306.6398612 206.1494074 337.7118219 315.758368 197.0609063 216.9221119 266.9649182 544.3793606 232.4517675 164.8553162 181.9096959 267.0175134 578.3070408 227.0824893 280.7050847 224.5207525 333.3899238 324.3024976 217.7585018 333.6073642 159.6630839 142.9662566 210.5225126 243.0885593 168.2099479 369.536664 273.1971213 180.072564 193.4971083 No_result_found_in_bank_inhouse +M197T999 M196.9473T16.65 196.9472823 196.9460469 196.9491966 16.65472698 16.62235658 16.68104755 0 234 0 234 [M+Cl+NaCOOH]- 93.988 [M-H+NaCOOH]- 129.965 39 3.37650438 22.16270638 6.09E-09 1 1 0.205737725 0.152575486 1 534.9075321 110.0506586 0.205737725 554.6955883 84.63294909 0.152575486 0.741601893 0.808005777 1.80E-06 272.936679 707.0437927 434.1071136 0.543541481 0.548174907 0.946954697 0.54588624 0.94468685 0.924056199 0.772141184 0.875157643 0.771548806 0.875416782 0.924056199 883.6107158 424.6816712 548.2874712 674.6533536 539.3336686 707.5657433 527.0261723 640.9415937 440.5710633 412.0026242 560.2630035 416.889132 745.0549458 561.7296058 537.7683952 548.3325465 336.6730619 583.2274545 509.0318078 713.6505883 466.4966802 623.3878451 331.8703003 397.7163242 461.7939815 453.6349348 414.8558011 482.696936 495.846294 700.567059 533.5556264 472.8754621 509.8562364 359.4837249 569.0723577 660.1930839 535.280476 543.5215272 708.3514574 559.5660278 486.4832743 496.8586402 480.9688765 450.4631325 513.1544306 631.0287681 577.986752 562.2306082 537.3320827 440.1258792 831.1063144 749.3223984 463.8675415 466.0748161 420.6777052 743.9413599 412.6503036 619.6943196 624.7935359 423.176432 478.707667 654.7162975 514.6959612 522.4395022 420.5986706 752.7934509 708.6807336 622.0891274 366.1658936 552.0030257 602.9225186 420.472336 498.3144994 705.1386433 523.7599339 535.8215319 489.3486119 423.0624939 626.003707 494.4485553 490.9166014 786.2182155 431.9444673 501.5346128 392.8260553 446.2576584 521.7538506 429.8301927 463.2211339 475.4895658 529.0966375 516.521738 570.3986705 495.0258802 561.6896985 523.4124637 598.1480106 605.1697973 771.1831176 548.4845105 545.6645459 490.3662686 539.50981 577.7919864 565.4457643 619.4332728 444.0123392 518.8742305 551.1130912 450.6600206 666.0524356 561.6738681 421.9412529 387.8064498 567.9078614 489.2115689 415.3639631 550.5883603 412.6464543 376.2975141 448.4095459 516.2405526 582.750785 No_result_found_in_bank_inhouse +M197T933 M196.9472T15.55 196.9471589 196.945574 196.9483292 15.54915928 15.52475782 15.56881569 0 120 0 120 [M+Cl+NaCOOH]- 93.9879 [M-H+NaCOOH]- 129.965 30 3.306992711 17.02915524 1.54E-07 1 1 0.254921631 0.218115938 1 420.6281433 107.2272125 0.254921631 434.0611451 94.67565383 0.218115938 0.855619576 0.806615303 1.93E-06 256.7752457 672.9483556 416.1731098 0.604265008 0.6056148 0.903553864 0.602225028 0.904127599 0.895228214 0.913940548 0.574037301 0.911952536 0.571032088 0.895228214 332.7184248 472.0551103 630.1916109 279.4235825 348.7694007 397.8278904 314.5413749 580.1963287 506.7078451 271.679418 358.6119635 426.6597497 324.045214 255.6022304 355.8386849 440.8019208 464.6510412 371.8661276 476.8460105 432.2495247 440.8294921 370.1750955 500.328338 335.8526019 612.6069912 663.7200568 405.5659648 527.7653629 407.3707672 231.9610895 415.5431161 388.3816362 347.316145 279.5711681 476.3992996 359.0829741 412.2107941 375.1798857 385.4873288 364.7458274 690.3541232 253.0960778 323.2481139 378.1019017 284.1028978 517.7648847 506.3248796 574.8985728 408.5446536 350.0075068 289.3800481 183.2374164 472.9808843 385.3254281 371.1025879 360.1129228 370.8975015 401.164411 333.8279746 318.6225636 351.218517 366.1842859 595.9001644 482.4625844 610.2175902 355.2556671 298.18364 482.9082868 513.786477 364.8986873 405.0349865 337.898455 295.0969273 336.6002691 414.1783401 298.805096 473.3305318 648.2637674 743.6340403 389.8570148 428.3198939 360.9089189 491.1808999 476.2326165 347.1225315 429.0263702 426.5467134 471.1167483 509.1774341 308.8089581 394.4465406 513.8637694 400.2118352 599.1491367 435.9683664 464.468842 343.6752249 585.3306051 435.3515869 657.3214907 271.9174602 423.2698845 471.8382416 451.2341898 378.5738709 435.4120859 546.1535369 579.0685386 467.609372 335.6428136 608.4014602 315.9832791 506.0853329 473.6520963 271.3374468 346.8975758 255.9922751 448.2872049 225.7388851 317.1356941 471.0009668 523.9995964 505.6375659 No_result_found_in_bank_inhouse +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse +M199T56 M198.8083T0.93 198.8082893 198.806811 198.8092439 0.927558112 0.883951053 0.964287229 0 73 0 72 [32][M+1]- 835 Inf 51.09639182 0 1 1 0.265439412 0.235620038 1 293.7503542 77.97292138 0.265439412 277.7955725 65.45420339 0.235620038 0.887660337 0.878340779 1.68E-08 91.76969043 509.2120133 417.4423229 0.890407325 0.889581501 0.745030178 0.891981548 0.72890136 0.969859104 0.380340133 0.584497083 0.386955566 0.583465204 0.969859104 425.6508348 318.5932617 300.5778138 234.9474932 298.7509335 467.2822697 278.8290598 184.5179387 306.4181383 461.7762365 229.3359301 547.9048461 163.4547429 169.979183 199.0356741 313.650434 283.7800698 248.5666276 294.5970736 229.2910176 319.6032555 338.2594143 247.575962 266.762284 283.6512159 227.5959028 272.4438425 319.1698764 227.6175473 338.3115346 284.9981915 256.9849575 267.3220036 243.2424782 313.163938 209.6405656 208.1058943 395.8468292 455.4898694 201.2266226 307.498145 313.9485087 307.6457778 277.7483807 387.9213121 146.4547063 293.7592388 307.1400334 280.5269687 262.0730627 260.3905831 426.8400827 412.7122949 432.9390702 304.1722246 375.6752054 221.0058601 295.9733122 363.1563637 315.7724722 302.0469035 246.8482152 299.0054915 239.4872501 334.7128461 335.2107286 303.5291166 270.6159496 201.37274 239.7055393 352.4991482 172.4723781 311.2784959 247.6487041 314.8652322 300.7626547 208.3456295 290.548009 182.0792692 146.0754301 201.5302484 210.660815 308.6797835 470.242377 317.1114967 454.3594237 303.748753 228.2955925 251.1849302 256.869877 246.6183412 347.2611464 250.1812994 246.4428547 194.3173646 311.4082255 423.4363051 222.0091296 252.1103645 297.2037768 340.3001427 257.5040469 296.6093861 423.5483866 217.8238401 505.0982601 247.1956364 237.0926093 410.2952423 194.6120338 322.9654897 294.5790053 257.6659104 371.1762491 346.5271849 379.4757177 261.4977525 310.3966255 232.800778 286.2433832 338.1653451 183.5622476 290.7675754 No_result_found_in_bank_inhouse +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse +M200T47 M200.0732T0.79 200.0732439 200.071512 200.0744583 0.788876278 0.771650033 0.805916667 0 102 0 102 [33][M+1]- 16 Inf 52.09658324 0 1 1 0.342452677 0.237981624 1 422.0666832 144.5378655 0.342452677 387.5897524 92.23923857 0.237981624 0.694932876 0.822704372 8.05E-07 181.8262305 642.3934757 460.5672452 0.882970209 0.882623659 0.797864997 0.882024684 0.799360927 0.895228214 0.516587555 0.774750826 0.515934883 0.774092083 0.895228214 264.8948803 462.18518 461.7031022 377.7293897 256.3092531 388.2193525 117.049815 489.7470887 438.8900161 440.1789841 288.8214374 319.6739929 502.7833672 436.1288711 390.1535631 347.7123592 214.9047371 706.5463321 564.3096489 602.0520638 252.4633232 254.6175284 528.9656284 274.2064084 444.4349783 755.7000359 244.0922817 421.5320536 612.0563171 574.8038461 328.1377535 859.956829 444.2879899 452.1026587 435.8227526 752.0032996 241.0172582 342.5483715 255.9322149 365.5741179 615.6802413 628.3991854 684.0332065 557.805309 470.7248646 193.3254354 470.7525003 581.3023693 341.5850815 392.5781977 341.3225198 443.646748 417.7423166 328.61484 331.2802275 300.6211408 730.8340652 573.5521263 235.2191682 452.5860686 163.8361564 343.6000437 404.573594 456.3066748 497.1211158 392.9224066 271.720172 292.122262 426.95259 613.644791 331.0549462 320.8304155 707.7643181 352.6590808 506.4241769 426.6379454 303.7921155 321.708255 455.4159276 321.5067013 459.7773828 801.4169172 320.295341 270.909519 305.4497663 322.2137251 246.0730631 445.9524985 667.1288127 495.5785932 263.4643002 406.7114271 366.4344062 222.4109015 468.6040403 362.3392262 278.6158512 598.1727108 382.6197497 402.3699718 394.9828366 314.8307073 279.6333033 401.8772051 295.6567263 213.667869 354.9353445 439.1253771 495.4000484 364.6004364 272.3246715 352.3955551 467.3611008 517.7190151 479.1204349 414.4228121 325.7899446 244.2391451 279.0849724 225.1687321 251.5240706 314.1935569 556.2691505 No_result_found_in_bank_inhouse +M202T56 M201.802T0.93 201.8019737 201.8009477 201.8027619 0.926099455 0.855704801 0.961072933 0 214 0 211 48 173.9686473 55.78050338 0 1 1 0.164394206 0.157598495 1 1053.255118 173.1490388 0.164394206 1016.936048 160.2675909 0.157598495 0.958662103 0.918560638 2.46E-10 688.7203487 1415.239443 726.5190943 0.983997193 0.983768152 0.81438186 0.982508504 0.810685871 0.507044165 0.650737349 0.669417015 0.642958223 0.659018736 0.507044165 867.1883056 918.708319 1113.145573 888.1667554 1108.249299 1164.089112 1042.019108 930.1226882 901.1614444 1257.410393 1509.418442 825.1105895 1078.358294 798.1975555 1240.404946 1254.197163 1156.28033 1125.217856 946.8312793 1068.938474 1024.178579 953.229815 1015.253717 827.826107 991.0900541 1131.592371 1201.017199 978.7342678 1300.371354 1136.376804 908.2063602 1164.210146 1010.317458 1148.126611 1058.756124 1283.477208 972.5845292 967.7049474 879.0719205 1140.57966 1019.056697 911.3120014 1075.898275 1382.503642 1174.630512 1101.487802 954.1452332 1102.205217 1171.087874 839.4389634 751.0391977 1033.701029 1074.714257 1166.275755 1316.234652 1276.071898 998.1331989 1091.000858 1080.6452 1186.111824 952.4462076 832.5104806 1613.572773 1342.179197 858.3108928 935.7772129 1231.172849 1080.537763 751.9337792 1209.74401 951.8327597 1040.305928 1009.312898 1017.220101 1222.909062 885.8960035 1306.035197 857.6806936 955.4298023 1235.563629 1314.453838 1352.69868 1040.143982 1270.425038 870.4365686 845.6922101 1470.681672 1214.367141 1036.086145 1405.465505 1217.373374 1040.794755 1032.646488 981.9990717 940.7501267 1232.659328 948.2572558 1060.34405 679.0520198 1014.100775 1016.185559 923.537956 1098.359564 866.4663398 1117.129301 972.503613 1087.380721 916.2368894 1151.506587 988.1243116 645.0342132 938.2022771 1308.450189 1179.823866 1354.651974 964.1875697 1352.417796 1335.176652 969.7187466 1049.878002 1221.5098 784.3288525 984.2818771 No_result_found_in_bank_inhouse +M204T55 M204.0045T0.91 204.0044756 204.0030689 204.0060338 0.908424748 0.891493431 0.926481948 0 76 0 76 45 70.79898862 26.02508469 0 1 1 0.46740247 0.299933291 1 484.8457935 226.6181213 0.46740247 417.3090585 125.1648794 0.299933291 0.64170241 0.805754248 2.02E-06 166.3177061 795.1337322 628.816026 0.002366241 0.002286493 0.827439128 0.002442979 0.823823737 0.914336373 0.020138886 0.2736313 0.021319837 0.271542492 0.914336373 191.7786543 234.8723936 537.5561756 744.5628633 235.7212233 340.1602501 268.5571242 264.5582961 609.0334911 349.958639 375.815473 701.1803154 482.7396437 445.3982442 350.8490641 649.8302225 1191.099107 343.4233271 835.6593866 468.4904291 470.5721474 523.8115266 664.2500959 416.175575 624.7227508 789.3660962 453.7628611 541.4692543 852.0487867 425.483733 788.935546 686.630297 591.7578319 689.9799119 621.6246916 677.0758425 614.4636451 889.4639227 234.827785 417.2902975 540.2046914 741.7242138 634.8094725 921.0741628 608.0976829 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208.8438884 208.8454859 0.872852476 0.852276805 0.910213049 0 155 0 155 [M+2Cl]2- 347.739 33 1490.525811 53.34584651 0 1 1 0.245242124 0.230183878 1 18946.3412 4646.440958 0.245242124 17926.14575 4126.309744 0.230183878 0.938598452 0.942878574 5.58E-12 6666.864356 26410.65049 19743.78613 0.664534498 0.667645973 0.932203586 0.665130202 0.931766748 0.895228214 0.858375564 0.838977714 0.854180076 0.837982462 0.895228214 15349.85686 28197.20477 16462.28372 16118.48901 23153.42454 20061.78911 20639.21995 14915.09323 21656.13963 9190.642357 12205.06155 21469.39985 22128.8761 24782.84567 27279.93994 17888.24792 19342.21994 17127.22735 19971.77056 19023.91751 19728.57933 18569.29011 18384.31952 20103.31698 20102.98335 21069.21649 27131.37024 19819.82089 20143.61268 16682.88147 18637.69198 20032.06379 20230.33488 19111.71302 20591.81613 13298.09703 8504.937229 26884.98071 19085.14823 17745.17461 11930.26153 21332.98342 16636.12804 23613.47459 16465.49205 27126.47944 18285.58157 26549.08631 21397.46277 19874.66539 17765.3984 17099.11614 19365.62055 22605.11871 21860.57088 20601.48533 8753.745283 12704.07413 8069.268456 14054.46339 17846.60096 18638.88071 10272.20563 22973.5968 19864.31449 21126.8196 19316.20865 20699.8514 25090.51361 17372.43517 19580.96329 20508.17673 7488.230137 21889.61311 17032.26782 19180.36473 19283.80467 18022.81232 13217.75901 22963.39398 8960.140877 19738.97266 17566.73147 25510.81926 20266.72356 9583.789856 27183.40124 24522.78826 23984.89862 20034.98453 16659.03763 24975.84753 20243.67257 10418.77215 7642.678865 20561.05383 20711.15666 9938.54183 19557.9511 27738.32129 19821.74073 18186.17796 18254.35471 19481.82839 20720.87536 23301.78991 19259.49264 29480.4274 16443.33545 17387.53193 789.9432662 17976.24775 9255.56354 13876.77151 24634.96833 19179.86729 6950.465409 22858.58096 19263.77845 17398.27994 23686.6373 19936.19588 19988.62447 No_result_found_in_bank_inhouse +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse +M211T52 M210.8423T0.87 210.8422525 210.8416349 210.8434142 0.872860572 0.85820689 0.902016362 0 160 0 160 [M-H]- 211.848 33 Inf 54.04358157 0 1 1 0.239443258 0.228677924 1 24372.13121 5835.742496 0.239443258 23186.03705 5302.134811 0.228677924 0.955040145 0.941858109 6.75E-12 9104.604827 32733.77054 23629.16572 0.964270498 0.965106406 0.960978827 0.965065515 0.961195795 0.895228214 0.954973042 0.989714906 0.954931558 0.98888698 0.895228214 20400.91704 35454.50778 22158.80979 21021.24062 33261.60248 27888.52477 31416.66305 18783.27465 26865.78874 10309.08323 15051.9707 22718.39127 26502.37193 31618.56972 37710.61048 20272.91645 25308.28312 22534.2095 24482.88712 25975.28935 24838.54086 23310.45798 24909.93831 26056.98787 23222.25515 26200.08814 33855.93615 23301.51774 25206.12413 21896.39952 26218.1865 28578.85605 27177.98058 23317.96077 26839.67234 16091.93672 10686.34959 35443.59372 23032.53493 21355.62712 16589.11257 23788.29141 23057.10766 28056.40977 22092.47859 31025.99386 22282.62457 33107.07225 25534.34025 25238.08113 23444.90157 23553.83165 23942.89917 27675.45809 27756.02477 25491.46129 10756.7521 16319.52072 9324.744672 17803.51817 21232.79488 22894.03813 14601.75824 31304.54047 26152.17704 29138.09737 21983.7871 25883.84356 30741.65053 24213.00254 24811.71877 25376.62252 10101.47254 26458.07484 22513.72221 24560.59189 23583.28485 24774.87903 17122.01972 28685.9832 12157.18907 22226.3944 22229.31224 35588.44713 24423.58201 11540.3436 36261.44375 32921.34292 32882.33747 25167.89437 20770.88379 32664.29781 24033.23159 13480.12764 10222.76939 26721.95951 22663.77515 14055.21673 22166.3347 33918.23188 26439.00162 27457.22358 22679.88274 26558.97338 26446.49819 28958.94399 24728.51333 36311.97769 20543.03869 22224.36817 30729.76404 24374.63205 12121.64662 18336.8077 33358.07867 23716.44166 8998.217861 26851.5855 23790.22124 24041.82929 29867.6697 22908.54917 25696.66008 No_result_found_in_bank_inhouse +M213T52 M212.8393T0.87 212.8392974 212.8376739 212.8400937 0.872848003 0.840138361 0.915111469 0 158 0 158 [M-2H]2- 427.681 33 Inf 52.70314965 0 1 1 0.250234234 0.231639899 1 11810.23055 2955.323994 0.250234234 11149.3554 2582.635555 0.231639899 0.92569228 0.936154253 1.84E-11 4409.54173 17062.10331 12652.56158 0.975939116 0.975977533 0.955954924 0.975955476 0.955848332 0.895228214 0.954571933 0.989714906 0.954462699 0.98888698 0.895228214 10044.43498 17769.3211 10126.94205 10301.4204 15349.57228 12537.08625 15371.13714 7847.694068 12927.14322 5634.043495 7333.992713 11620.92795 13784.72158 15311.07063 16708.42345 9570.945042 11637.34944 11083.88359 12600.10713 11419.68139 11727.33686 11614.81885 12659.2075 10967.09333 12238.77052 12602.18183 16536.58373 12668.81066 10922.24128 10651.2684 12208.93447 13434.14348 11959.39818 12230.19104 12863.49932 7177.63803 4708.75693 19653.02348 11617.17051 10659.15132 7840.036486 11988.80057 11368.84048 13775.30723 11037.69204 17910.79528 11294.13612 15594.18399 14190.1211 12078.93336 11041.01271 10544.95618 11230.75293 14593.27501 12973.77572 12650.72173 5823.590814 7989.360911 4266.246506 7827.594591 11577.72261 11687.99329 6729.010058 15760.85806 11663.56012 13415.44377 11033.91807 11885.9488 16639.31622 11432.12487 12136.23808 13103.45277 4990.47163 11824.49013 11333.34671 12241.42884 12582.19097 11633.60779 7557.741023 14748.45861 6161.049166 11348.25763 11681.16087 16546.7601 12429.99055 5130.026557 15821.13907 14539.24645 15866.24547 11982.18141 10605.78297 15502.09624 12890.57473 6598.494721 5733.918443 11640.34128 12266.61125 7890.044979 9886.0283 15905.26874 11975.67856 10875.116 11762.51364 11582.4967 12329.78806 16804.76925 10903.51982 17252.26738 9519.296436 11878.17801 15560.01653 11550.44844 5851.216347 10022.90475 15668.22891 11408.41327 5657.421844 13719.53104 11841.21369 11590.64887 16057.48516 11338.18193 12782.58186 No_result_found_in_bank_inhouse +M213T57 M212.8775T0.94 212.8774688 212.8764931 212.8795919 0.942826271 0.923987551 0.966555019 0 121 0 121 850 102.8551467 33.27763077 0 1 1 0.325769197 0.235216765 1 725.8563678 236.4616464 0.325769197 650.898526 153.1022454 0.235216765 0.722035007 0.933069151 3.05E-11 332.1197765 1149.271045 817.1512688 0.019451558 0.018608807 0.812332331 0.018451067 0.810685871 0.896173123 0.335778651 0.078938789 0.332552928 0.077074533 0.896173123 543.46042 746.6083939 327.9646472 705.9767592 951.2197744 578.6898688 1064.798217 413.2321309 526.5532518 849.2496449 513.9224723 752.5772422 379.9608927 632.8839464 672.19333 729.8421593 736.0270246 896.5660499 1007.392064 670.4458642 679.4532745 501.3157984 784.544686 427.067352 618.8834074 816.4510053 846.3555881 558.2770745 973.6236539 550.1053716 605.114997 573.395761 578.7656063 848.2132591 512.504599 433.0093848 503.0349577 1250.490119 484.8032834 813.1785161 683.2531097 697.4828443 583.6107379 776.4824509 689.9967697 362.2168317 816.5142179 660.7691106 369.9352463 421.634915 549.8502862 463.7047823 1162.514059 812.8939472 666.6367717 700.5631187 718.7593691 888.103284 1208.656171 664.9331727 831.2170918 998.010981 915.4683714 802.5464154 1233.645299 852.301678 642.5550921 534.672308 840.1148903 612.4451047 934.1518773 1266.09195 931.9075456 483.6940153 495.2319182 537.45917 612.6065806 524.3994054 626.5283069 727.7656612 1054.120006 810.8533638 660.0839821 583.5212921 847.3329545 991.58046 640.1370597 786.0547752 500.0586415 784.4977359 1067.199428 337.8959532 917.4580701 499.0553787 317.8032919 692.1201377 666.1634759 1090.279457 881.7381181 638.9576444 1047.668081 328.9587177 968.2194918 749.429632 599.7636679 569.1380206 969.8697534 790.2698132 702.347533 827.5804628 1083.494673 577.9192593 654.0018825 761.8563522 712.0000627 583.6198137 674.417279 989.0741527 647.2538636 588.919239 883.0064793 716.0960457 469.4115904 No_result_found_in_bank_inhouse +M213T47 M213.0857T0.79 213.0857116 213.0853053 213.0861679 0.788866667 0.771699834 0.797831863 0 123 0 123 [41][M]- [M+Cl+NaCOOH]- 110.13 [M-H]- 214.091 16 1416.155903 67.58547403 0 1 1 0.236487434 0.192672336 1 12192.53068 2883.380297 0.236487434 11024.71235 2124.157084 0.192672336 0.814725471 0.927073173 7.61E-11 6701.298968 15989.12461 9287.82564 0.825100166 0.826779857 0.858784823 0.82284002 0.860184011 0.858832892 0.684119509 0.949139883 0.679887139 0.949936104 0.858832892 9902.887628 9802.527391 8838.48028 9118.861478 7106.408363 10282.94453 10664.32266 12999.3859 16103.68922 15307.73228 11201.85412 12365.88347 17386.72131 9192.47587 13597.49461 12577.16666 14095.91622 14884.29607 12421.48694 12205.55556 9646.241716 6717.863253 14461.67436 10337.01631 10109.8354 11248.89893 9840.636283 17127.35474 13630.60226 9909.734898 13166.32192 13694.60153 13048.48236 15247.32519 13263.55094 14616.28881 14090.87857 6631.838668 9921.781991 9766.902194 11970.92423 9236.658697 11866.56025 16482.5415 10465.66996 8580.445058 12405.15622 10099.15957 10858.35891 8737.400259 8995.914939 10416.67338 7842.9069 16479.5358 12160.59694 9384.863058 15120.87014 14185.04438 12259.32618 16804.68171 9964.204288 12904.08788 13358.01482 12464.03701 10516.65096 7942.824273 6288.094835 12136.56134 12329.39999 13804.02725 11565.94639 13702.57593 15879.29679 12356.99448 13685.29868 13739.79297 10932.41014 10537.0455 17736.88189 12082.39988 14523.92357 10813.44323 10377.26706 12151.09551 14538.19703 13667.10879 12379.9097 13607.97531 19213.53037 17235.86042 13252.93971 9024.369614 11023.53778 12399.14149 20780.63923 11463.92189 10997.28857 10244.88036 12028.83948 8260.285678 9498.098898 9752.898029 11557.03271 17299.98958 10890.16822 13187.36202 15934.41391 10232.1294 13457.50615 12022.76797 10635.41157 9835.533654 15200.83848 12543.83843 12488.50312 14670.23471 12751.30445 10265.33723 8145.053179 12070.79838 8804.349029 12158.58356 16995.40363 No_result_found_in_bank_inhouse +M214T47 M214.0889T0.79 214.0888662 214.0876392 214.0902384 0.7888725 0.771650033 0.80605 0 231 0 231 [41][M+1]- 16 Inf 53.80778755 0 1 0 0.314439541 0.246262079 1 983.0072759 309.0963566 0.314439541 904.0309501 222.628541 0.246262079 0.783177834 0.748311826 2.61E-05 468.1777717 1523.945776 1055.768004 0.926177794 0.926077821 0.87036886 0.924732655 0.870403889 0.896173123 0.739224993 0.989714906 0.738219608 0.98888698 0.896173123 919.4212906 885.7163557 951.1492137 1016.37595 511.6083385 518.596577 751.7874712 1312.503067 1195.538508 1256.252936 852.6805642 768.7517966 1350.003155 808.9304619 737.5017236 1126.788348 1366.426134 1238.395751 1347.283397 1106.183032 1027.01507 816.9219603 967.8794434 640.8772087 1106.174995 1366.364745 724.1088351 1144.457722 822.3233504 997.3237593 1132.360869 895.5378072 922.3235841 1084.173154 1156.025926 847.3234088 1060.716765 754.4660489 529.754406 914.7907693 595.5371061 924.1093025 1045.452798 1011.609507 944.9745253 591.0728099 759.0953406 545.5369892 493.7511539 1137.153097 1146.312535 614.5150892 460.3827546 1093.752556 900.0021033 431.1744386 1547.325045 1062.502483 484.8225616 1008.930929 525.0012269 766.3588089 1081.252527 1024.109536 655.3586745 460.7153624 382.1338845 1031.766143 666.0729852 1181.592668 951.139226 886.6092149 1238.395751 1518.903469 1087.097095 675.6901272 1077.148961 997.0432165 1291.967305 1096.431134 754.4660489 982.1451524 643.2545207 771.4303743 1724.243186 844.6448311 885.7163557 1363.396043 1816.075673 1433.953416 1089.01305 723.2159759 855.7893968 1100.002571 1340.181703 768.951854 684.9942542 916.0735695 719.644539 690.1801844 1142.102292 702.7481232 1219.746427 1302.340107 942.3069663 927.6807394 1474.921963 1000.895196 965.1808271 1521.469838 772.3232335 1104.473583 1150.002688 1101.788289 879.4663411 1675.727977 1216.96713 1010.716648 876.4910793 1107.394124 519.6440716 880.3592003 1046.431017 No_result_found_in_bank_inhouse +M215T52 M214.8364T0.87 214.8363656 214.835841 214.8369269 0.873227218 0.83871729 0.891465529 0 125 0 125 [3M+Cl]- 59.9556 33 Inf 50.97279332 0 1 1 0.26470005 0.263505971 1 2592.442565 686.2196753 0.26470005 2442.094413 643.5064597 0.263505971 0.995488937 0.946520879 2.75E-12 995.451426 3417.38449 2421.933064 0.863093582 0.864184338 0.991027302 0.86354215 0.991285998 0.926511606 0.995133734 0.892147009 0.995205685 0.890589914 0.926511606 2112.025747 3724.801293 2950.516641 2345.024026 3697.693785 2601.416402 3158.191104 2098.71121 3125.556024 1235.689206 2001.032407 2488.870835 3038.541347 3639.174002 4055.705501 2228.542785 2436.739689 2295.445312 2882.746162 2763.867007 2661.454289 1868.705117 2479.131141 2612.414127 2715.904768 2656.552725 3566.187935 2731.403886 2644.455082 2240.357798 2805.216559 2753.412003 3504.032671 2575.96195 2331.163836 1377.908587 1240.071325 4081.096035 2780.45692 2073.392284 2099.008891 3241.784189 2081.913909 3370.247186 2555.334991 3897.259082 2501.23325 3950.777807 2491.47442 2612.97934 2662.454659 2532.916237 2260.767812 3207.701607 3424.117056 2887.732964 1009.497868 1513.246947 1155.923736 1719.137271 2170.882281 2522.472124 1640.580786 3955.431704 2739.093731 3105.005394 2159.94169 2923.94763 2190.364235 2940.350297 2243.098729 2717.44775 1033.46519 3621.653024 2296.823448 2440.328647 1979.887304 2520.936721 1726.533147 3018.438546 1879.741899 2731.297152 2374.357388 4155.763233 2188.671751 1215.116327 3325.385945 3873.101899 2870.656014 2590.671334 2462.458576 3087.63043 2216.145479 1527.374364 1259.270624 2301.618018 2487.858253 1664.795155 2602.69341 3756.645416 3360.46433 2430.891992 2697.985033 2318.537577 3000.336916 3064.777448 2416.651605 4159.070067 2147.184515 2373.429979 3118.892291 2470.017419 817.2205792 1901.892291 3450.559103 2570.869832 879.478395 3371.338795 2905.754927 2751.747446 2541.855265 2709.269385 3531.143856 No_result_found_in_bank_inhouse +M215T57 M214.8745T0.94 214.8744584 214.8733708 214.8760036 0.943083999 0.923987551 0.970058129 0 103 0 103 851 60.82470345 30.49397403 0 1 1 0.340841367 0.269302549 1 535.7789632 182.6156341 0.340841367 476.7163251 128.3809215 0.269302549 0.790111105 0.917386988 2.87E-10 194.8076508 1019.111944 824.3042934 0.066052861 0.067754132 0.903136796 0.052143084 0.88065613 0.144857483 0.322230751 0.499013237 0.280977577 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320.1854092 898.9756875 400.639863 498.4521664 794.6475731 523.87631 370.4897392 731.8311428 719.1708953 565.8215371 587.7046361 424.4487419 362.1965366 499.8429135 328.1227821 455.7496447 675.6674025 419.6732499 918.9951523 292.2600104 485.1195334 334.8594555 459.9634876 739.6800684 797.1309693 418.0996248 976.5985749 455.3323556 468.114768 462.4775243 519.9570134 552.7949408 496.912813 439.8208492 427.5079169 851.8922545 630.9638283 271.2485588 448.4075453 512.3712991 520.113528 No_result_found_in_bank_inhouse +M215T54 M215.0328T0.91 215.0327723 215.0323817 215.0333727 0.90713163 0.882608587 1.078849641 0 320 0 319 [42][M]- [M+Cl]- 180.066 45 Inf 26.71150807 0 0 1 0.188807951 0.118901588 1 59331.52153 11202.26299 0.188807951 56126.86185 6673.57299 0.118901588 0.629748839 0.974963393 7.44E-16 43799.46123 71978.21556 28178.75433 4.77E-06 2.38E-06 0.715391897 2.99E-06 0.695696123 0.94309074 3.41E-05 0.05936874 3.71E-05 0.060041042 0.94309074 53509.16693 57532.50465 48079.13276 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49855.92022 69322.08177 67362.28173 75534.53152 37445.36568 71738.82642 58657.74184 48391.92884 56066.43258 53391.30666 52856.32282 63592.03866 54330.5466 92904.11324 51613.12762 76277.95784 66956.11711 51375.59384 48315.19865 55926.81349 50186.06316 67397.44421 51215.42476 54470.85678 53177.94935 60550.0141 43732.13448 48652.95448 75536.34475 55913.02918 60991.25938 48286.44595 78877.5323 75202.18756 61574.75625 56335.74943 No_result_found_in_bank_inhouse +M216T54 M216.0362T0.91 216.0362074 216.0354727 216.0367666 0.906368501 0.882251051 0.925369761 0 170 0 170 [42][M+1]- 45 Inf 26.71656473 0 1 1 0.224376174 0.137604996 1 4368.140402 980.1066315 0.224376174 3989.151166 548.9271287 0.137604996 0.613278108 0.962031456 6.83E-14 3067.731796 6019.724074 2951.992278 0.001146918 0.001110861 0.828852751 0.001191006 0.82588821 0.966714196 0.019733431 0.168625149 0.020691996 0.171445965 0.966714196 4165.847684 4504.503633 3648.908339 3426.705855 5408.402618 4515.533547 3740.146556 3640.636005 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2143.217779 5980.040021 4735.422724 3630.861454 3870.531885 5136.0681 4360.501072 4606.487042 3574.045851 6989.098157 3774.573547 6213.394789 5649.596275 4174.686819 3616.958843 4575.499994 3598.590394 4356.483447 3690.780261 3547.786434 3585.571427 4496.179319 3485.463157 3805.530189 5730.793521 3335.176608 4266.099447 3672.179476 5611.059346 5400.974877 4490.5242 3521.941194 No_result_found_in_bank_inhouse +M217T54 M217.0299T0.91 217.0299003 217.0294517 217.0303096 0.907034189 0.882251051 0.919972222 0 280 0 280 [42][M+2]- 45 2017.252454 26.53737969 0 0 1 0.195476803 0.116893903 1 19607.2545 3832.763433 0.195476803 18546.51534 2167.974574 0.116893903 0.597993734 0.973504357 1.38E-15 14628.67489 24549.67077 9920.995884 4.77E-06 2.38E-06 0.715391897 2.99E-06 0.695696123 0.944646782 5.00E-05 0.050187272 6.12E-05 0.04893584 0.944646782 17074.10083 20357.74338 15663.49557 14944.95347 28792.3581 17112.61565 18054.42534 14505.0562 15620.71377 15453.29668 20545.54169 20807.09457 13951.84532 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17564.48001 19995.93069 17743.05243 31013.45644 16888.74826 24415.38646 21969.69544 17090.34927 15536.43492 18424.52668 15958.34084 22025.26511 16541.51309 15656.52786 17832.96313 21605.92795 15566.92269 15223.8328 24618.19106 15893.9542 21495.40065 15984.2518 24905.84861 23013.78063 19674.93942 16460.11354 No_result_found_in_bank_inhouse +M218T54 M218.0334T0.91 218.0333578 218.0321082 218.0347862 0.906897933 0.879975947 0.925748787 0 131 0 131 [42][M+3]- 45 170.685472 26.1604085 0 1 1 0.259177035 0.192269511 1 1502.75679 389.480049 0.259177035 1374.185098 264.2138968 0.192269511 0.741846248 0.900807134 1.98E-09 699.092018 1939.907071 1240.815053 0.012048854 0.012120176 0.907981747 0.012677204 0.905542086 0.953173798 0.406679966 0.08055643 0.414073974 0.077074533 0.953173798 1194.930545 1544.791324 1343.197766 1236.391406 1552.045235 1075.065555 1127.346624 1028.900806 1248.994995 855.1263119 1501.549191 1295.209831 1076.888944 1162.786011 988.7080668 1474.418037 2134.967895 1370.65479 1694.233797 1055.253128 1346.572249 1348.899699 1284.113036 1639.957366 1666.104721 1276.705929 1310.719279 1545.257522 1999.000323 1504.777728 1506.071822 1835.223977 1451.846988 1178.020687 1385.644433 1377.424206 1083.880188 1811.502571 1272.90237 1484.274021 1237.325286 1068.201994 1458.215584 1338.661412 1501.90992 933.7115708 1459.975237 1306.437932 1269.821853 1807.619934 2296.727297 1510.557239 2006.227706 536.0083268 1373.733528 1917.233861 1496.983215 1568.936241 2504.219613 1519.838547 980.8611551 2354.133046 1528.034801 1133.457359 1642.462973 2817.154379 1671.709511 1181.688956 1886.147091 1272.949463 1843.473952 1604.666102 1348.867704 1665.554782 1041.151794 1616.795224 1465.668057 1304.324023 1134.430373 1615.419687 1252.14566 1815.639623 970.0734049 627.6819843 1698.7402 957.8310006 964.3192712 1495.252185 1948.935008 1755.809726 2050.91317 967.8573788 1925.55986 1456.172196 1174.698175 1799.730033 1703.38714 833.1551944 1126.255031 1392.102171 2156.343366 1072.387848 2146.69568 2013.914362 1273.82377 1290.295691 1445.643148 1235.396807 1385.92926 1470.055686 1422.016971 1263.791928 1479.264788 1193.579596 1305.548762 1886.482549 1315.056379 1253.096992 1019.581178 1804.192047 2270.103594 1370.286574 1044.493718 No_result_found_in_bank_inhouse +M219T880 M218.9824T14.67 218.9823573 218.9810703 218.983676 14.67074845 14.30882441 14.91663274 0 204 0 193 [M-H]- 219.992 20 3.406654381 24.02246326 1.77E-08 1 1 0.189360195 0.162874422 1 760.6701939 144.040656 0.189360195 743.6988808 121.1295253 0.162874422 0.860130199 0.751516904 2.30E-05 510.0324902 1026.208937 516.1764465 0.786431532 0.787082975 0.846443582 0.791662897 0.847427448 0.979529007 0.639781915 0.999878042 0.642958223 0.999878616 0.979529007 615.0222103 900.2790147 815.2983533 549.8606339 791.6880329 706.6824616 488.6036785 369.9989012 810.6467183 737.1358241 803.0725343 727.9363797 741.3370367 820.4232866 568.6202954 590.8684158 1066.182079 566.2348772 557.7698167 901.7127841 852.5234341 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558.6563214 681.5992887 1009.179807 859.0275108 892.7370197 590.6674784 1045.622932 648.7260469 664.6023443 712.3577476 928.8424638 695.7234412 695.0143397 748.2945198 651.4803402 636.3188669 663.6841843 621.3790657 No_result_found_in_bank_inhouse +M221T933 M221.1547T15.55 221.1547049 221.1537004 221.155756 15.54642901 15.53558531 15.73097656 0 303 6 296 [43][M]- 30 3.461871447 25.50976014 7.87E-08 0 0 0.117445565 0.087798019 1 9609.992975 1128.651055 0.117445565 9338.27915 819.8824101 0.087798019 0.747563511 0.959788075 1.27E-13 7236.348003 11482.59229 4246.244283 0.105545491 0.107805733 0.907981747 0.107760773 0.905542086 0.896173123 0.366219723 0.599710446 0.367749953 0.601118346 0.896173123 8053.371881 9965.517263 9626.87856 10519.3484 10849.38932 8388.326273 10513.96641 11489.40238 8251.029716 8272.519206 8664.001648 9931.88154 8847.129473 7941.767929 9090.054139 9198.435914 7928.737688 9002.227529 10458.14411 9738.159089 9870.582919 10442.56484 9675.841993 9104.97288 10376.90933 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9478.733605 10145.44583 11390.36386 9964.058563 9436.688951 9422.674067 9660.927105 7285.536231 7235.417747 8735.010397 6405.307247 9311.954663 10293.46556 10611.13628 10537.32455 No_result_found_in_bank_inhouse +M222T49 M222.0496T0.82 222.0496494 222.0490449 222.0502392 0.822285245 0.786170453 0.840149929 0 223 0 223 16 242.3809524 57.57343526 0 0 0 0.292035294 0.2346009 1 1730.046216 505.2345543 0.292035294 1688.719923 396.1752136 0.2346009 0.803330642 0.803747578 2.24E-06 834.081037 2594.112906 1760.031869 0.819778203 0.821245135 0.907981747 0.819157897 0.905542086 0.855709492 0.773844447 0.978188156 0.771548806 0.97718547 0.855709492 1295.871912 1103.395773 1518.753991 1487.195466 1169.450663 2083.84882 1272.719576 1639.277699 1722.0789 2127.711747 2578.001421 1489.491258 1888.611651 1219.689593 1064.321049 1813.253255 1086.796687 1713.705745 2195.289859 2176.551985 1911.263139 881.6662777 1160.761979 1924.083789 1165.692998 2381.682394 1162.938209 2772.219135 1294.117639 1596.481573 1831.380624 2849.663787 2289.592746 2296.86886 2366.889336 2337.040624 1914.661467 1214.10749 1431.968048 1177.527445 1704.402239 1532.287384 1338.278679 898.7186478 1261.354775 1205.734335 1255.437552 756.375011 1497.864413 1564.11937 1099.617337 1388.575077 1775.167002 1576.013861 1461.580741 1910.276935 1827.208514 2768.723288 2002.11442 1811.392554 1402.968655 1373.782019 1657.884711 1561.128252 1745.337664 988.0323022 1175.555037 2030.59381 1851.397628 2333.358404 1906.332119 1562.988953 1741.616262 2793.91562 1711.063749 2754.467465 1058.196774 1182.458464 2500.782324 1440.182678 1531.357033 2037.467742 1529.602233 1211.316438 2514.81992 2075.612115 1343.426219 1980.716357 1366.684983 2133.159014 1404.354339 1409.481109 955.6315694 1893.263404 1716.496796 2976.36334 2030.59381 2426.354279 2061.656857 1554.615798 1557.215942 1624.277807 1431.968048 2302.786083 1778.125614 1402.038305 2407.323696 1500.655465 2137.945603 1863.925352 1266.207122 1289.954688 2324.015717 1829.069215 1327.610259 2024.676586 2209.582597 2110.035086 1053.265755 1244.589309 1001.05721 1524.844579 1882.099197 No_result_found_in_bank_inhouse +M222T933 M222.1581T15.55 222.158134 222.1568266 222.1592152 15.54719456 15.53102919 15.56614824 0 85 2 83 [43][M+1]- 30 3.088042633 12.88969121 2.42E-05 0 1 0.176812568 0.142197555 1 1473.750886 260.5776794 0.176812568 1457.587348 207.2653569 0.142197555 0.804227641 0.893147391 4.33E-09 1054.938472 2071.447002 1016.508529 0.924827568 0.923406161 0.907981747 0.924732655 0.905542086 0.970545484 0.876521482 0.902843964 0.875327914 0.905553463 0.970545484 1082.365355 1202.968142 1964.620262 1395.245228 1622.321216 1634.051068 910.9677917 1180.710511 1404.159881 982.6667186 1354.575372 1700.071669 1319.33838 927.0853001 824.2037998 1811.532967 1244.885996 1313.726098 1499.169992 1327.80469 1554.449121 1506.90907 1463.791349 1013.819235 1568.821695 1619.678494 2024.131512 1669.42971 1295.287125 1055.871906 1322.276777 1877.420371 1071.103288 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1427.481265 1312.798803 1041.4588 1671.640876 1190.94158 2141.448493 1818.851426 No_result_found_in_bank_inhouse +M223T800 M223.134T13.33 223.1339646 223.1331783 223.1349216 13.33140801 13.24353654 13.38910032 0 78 0 78 [44][M]- [M-H-CO2]- 268.131 89 68.68937241 22.22869697 0 0 0 0.769719685 0.249009612 1 2628.552167 2023.248347 0.769719685 2462.780421 613.2559967 0.249009612 0.323506877 0.971670367 2.85E-15 479.3953443 3718.451322 3239.055978 0.230424206 0.232849316 0.907981747 0.237322043 0.905542086 0.930722271 0.545535125 0.634369991 0.548555348 0.635701581 0.930722271 2205.88475 1062.312803 2063.954703 12020.28118 7157.51115 2380.976023 3761.762377 2092.07342 3827.660705 2156.383836 3831.630484 2325.496413 931.3101031 2354.872776 1570.444488 1683.980161 5392.015338 914.6370322 2889.006004 1070.444373 2438.013331 826.3777504 3905.065967 3321.42839 1777.44171 1285.329117 1221.103954 61.01665573 2487.463387 4846.305941 2130.277154 832.8595892 1818.95264 1590.412396 1207.068624 3178.204896 2263.567863 2816.16107 4468.806808 1517.457699 2885.235221 2273.095333 3343.978024 5071.789376 1049.221189 1645.076329 1668.672889 3053.553842 1743.526843 1099.626252 1013.407065 1866.313796 1248.188544 3291.740569 2804.251734 2254.963364 4410.424231 7525.112666 815.3925625 1601.408762 1612.524143 1352.978018 2927.314876 2723.268247 2082.545951 4489.025851 807.8074639 326.3064633 2099.219022 1352.978018 3294.899409 1697.477409 2962.24893 1167.275153 3119.808137 1020.03931 3418.25917 765.3610947 4295.300646 1496.606602 5118.632766 10527.85334 827.7041995 2447.765599 1241.556299 143.705992 1613.318098 4463.619266 2058.727278 7015.58896 8602.022009 2069.048703 4275.145248 908.2853861 2366.782112 3227.250509 1424.606266 2840.773699 3634.729456 2126.213518 5563.127264 842.2951389 4114.644915 1586.433049 2195.273157 4182.558928 7575.350454 4740.709826 1476.757708 2369.037981 1410.065425 1250.841442 1146.472113 913.0491207 968.6260237 1159.316459 201.6647623 3676.809111 8604.674907 2635.654238 5316.32775 1082.955653 317.5823028 No_result_found_in_bank_inhouse +M226T54 M225.9864T0.91 225.9864242 225.9853314 225.9879832 0.90754788 0.892117067 0.925680777 0 97 0 97 [M-H-C2H4]- 255.036 45 Inf 18.40367443 0 0 1 0.561189982 0.267288359 1 717.2440139 402.5101555 0.561189982 620.596273 165.8781596 0.267288359 0.476288543 0.945240719 3.55E-12 253.5475322 1037.177477 783.6299443 2.70E-05 1.98E-05 0.81438186 1.89E-05 0.810685871 0.895228214 0.001521309 0.050187272 0.001458423 0.046960903 0.895228214 211.6306302 430.0090701 1070.036154 358.7535283 558.5442411 331.0265205 746.9090243 153.0627349 582.1111818 361.3314628 741.9379078 1421.877109 796.9381399 445.4733621 1115.394957 686.3454838 1567.424721 204.3332042 1249.978776 427.7881189 293.1140814 455.5151266 911.5961104 897.4496779 474.1884175 822.7565143 612.236064 709.5850543 877.8124291 272.4746942 1109.080308 1015.572839 598.4245491 810.3076537 1097.197305 840.849778 841.6269092 1809.307318 203.1427707 219.5526324 1004.046277 999.0774151 969.313555 888.5577206 711.2826262 600.659758 1220.554196 693.4165903 1538.390422 1429.921397 835.7712322 460.6078423 608.8624549 1094.787791 905.7766238 985.7234167 1226.767984 1210.945125 422.1679227 1186.306398 863.7194051 1553.844146 526.6959737 725.9490745 855.0190744 1227.859265 196.3524831 294.245796 357.3839462 621.3113155 810.873511 1512.051809 518.9088983 856.7079523 647.9066086 584.530591 378.5585338 165.7961889 338.9216354 1909.439884 461.1427981 495.6444017 379.6902484 489.8850706 626.4040312 925.2641852 352.658835 347.6477224 1221.229902 540.9595789 413.0758291 361.7290836 382.5195349 1191.622753 275.3720381 401.1928258 525.1155745 1060.626189 942.8553177 403.6829337 1518.760993 548.3157238 1026.465142 344.6070957 809.7417964 498.6831007 950.0744068 448.5885115 515.2951532 479.8469905 684.5451614 836.3370895 759.1034601 848.707265 841.4497993 473.0567029 2223.100458 552.1940009 451.5541255 942.1524046 719.8551495 733.9693763 397.1542845 No_result_found_in_bank_inhouse +M227T1062 M227.2017T17.7 227.2016511 227.2003123 227.204807 17.70479935 17.69055067 17.85252229 0 305 6 298 [45][M]- 74 3.121373138 11.84446025 8.94E-06 1 1 0.333621429 0.168382866 1 3594.129539 1199.078634 0.333621429 3417.106895 575.3822538 0.168382866 0.504712382 0.803710137 2.24E-06 431.1900017 4396.503041 3965.313039 0.504598946 0.502874686 0.828852751 0.506572496 0.82588821 0.926511606 0.444507952 0.999878042 0.442849582 0.999878616 0.926511606 4064.491875 3789.572682 2445.533271 4981.28198 3082.606476 4170.918127 3314.241713 6625.017051 3342.325036 4955.226874 3330.316245 7576.908636 3789.861775 3440.949773 3331.032935 3658.219046 2878.667762 2987.541438 2812.26547 2339.979353 2909.416226 4084.715437 2695.328492 3230.102978 4091.439206 3853.849029 4448.73664 3705.470608 3173.09869 4219.132768 3599.37533 4871.999512 2297.841124 4548.20556 1954.46163 4132.486298 3440.493125 3955.60158 2924.78729 4123.312455 4548.217114 3073.136223 2262.777777 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M232.0483T0.91 232.0483181 232.0459905 232.0504247 0.913835571 0.899998467 0.93322357 0 84 0 84 45 Inf 34.98661413 0 1 1 0.415746008 0.298935829 1 938.2655738 390.0801666 0.415746008 820.9873383 245.4225307 0.298935829 0.719034756 0.949209175 1.58E-12 110.1730147 1392.649813 1282.476799 0.819778203 0.81748175 0.787240672 0.813786308 0.793198186 0.602924493 0.720429018 0.44026872 0.704551043 0.428283086 0.602924493 750.6309677 983.9667596 607.3310292 875.7901408 1732.160385 675.122412 942.6633887 903.9874484 1432.16773 958.3855545 1237.347858 289.6252429 702.5534301 1231.009036 474.8918863 379.9317804 882.8933389 933.2764367 776.7158801 666.9558158 1438.38236 774.2890649 1396.674004 760.7005641 1205.23688 648.3479713 1259.687922 374.8751711 1367.887132 1298.910476 965.0542744 875.0787745 1044.36751 851.5281266 665.0574392 1304.334432 987.8516176 601.2038362 936.2823832 1007.911022 1446.955193 764.1581748 912.0942506 1233.322639 812.0721204 974.6710038 595.5024917 496.0308399 1293.17039 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14.69019784 0 179 0 179 [M-H+NaCOOH]- 174.19 20 6.897642336 34.18504231 0 1 1 0.355537327 0.202565219 1 463.826396 164.9075969 0.355537327 452.8813583 91.73801164 0.202565219 0.569743889 0.827183098 6.21E-07 264.1434304 666.6702436 402.5268133 0.774168629 0.776228613 0.955934833 0.777153599 0.955848332 0.896173123 0.890103775 0.913056964 0.890596857 0.913037985 0.896173123 607.1634275 457.5953997 258.8259776 1022.955841 415.7758797 392.8206254 505.4427265 826.6488366 769.6961843 412.9703557 265.1970691 897.1700493 453.6375006 428.0520492 560.4959057 685.9839802 1183.667614 764.2908236 545.03808 163.7680921 578.4133585 504.7789114 415.5922161 368.1892623 680.9543889 457.9972728 405.0479286 362.3128888 368.2421742 328.996013 495.0702932 221.6612638 395.8875204 393.7030634 383.2659514 307.2202127 313.5922397 355.377119 758.2082035 273.7879727 406.5360642 317.9748117 446.0552249 374.5040068 294.6655233 913.6809398 410.070941 411.2905394 401.0653722 332.802131 250.1649418 344.2725592 303.3685696 479.5326053 465.8163673 470.4972215 446.9581189 237.6717028 1081.097868 453.1563201 463.6245524 366.5272084 435.4792426 370.4215957 424.455513 552.4470504 476.2049203 271.9476667 436.0310799 578.3779519 374.9584444 519.1396926 477.7742648 546.2643248 543.7899099 309.2581416 377.6665647 410.6635732 506.913045 457.6903026 475.6246425 417.3199496 725.0545717 578.8324515 419.3620272 473.1460224 605.0450191 514.4811235 457.8869874 338.5151582 659.8075318 353.2979575 488.2079917 336.95589 313.7860451 327.9017158 364.2572045 468.2087423 328.4940643 263.4874156 615.3658305 411.6734336 551.2277154 527.0678351 428.7810736 348.1169594 373.5160129 423.5524542 360.74149 453.7120942 433.9753617 266.7701784 546.7892174 458.6222476 381.9909909 218.2935444 829.7387209 258.7946393 878.9988859 328.6455943 285.7593944 426.4241575 564.6512909 No_result_found_in_bank_inhouse +M243T880 M242.9435T14.67 242.9435064 242.9420055 242.9445116 14.67235144 14.39467832 14.92765368 0 311 0 274 521 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1625.489567 3859.434164 3629.237613 1404.837126 1632.879968 2799.099725 2276.047544 4891.304286 2025.631294 2428.447812 7045.341681 2254.689302 2213.934052 2126.237076 3497.296006 4337.25464 4667.478313 2395.784963 2467.278816 2928.204915 1979.574229 2953.17027 4983.283936 4098.843754 3035.400156 4966.915946 4560.197326 4141.74665 2880.151127 2358.453231 2171.009222 4145.411829 4575.943795 1925.857733 4675.445144 2877.508782 3362.332346 1542.222963 2579.915711 3615.572826 4749.529886 3486.817286 4686.484119 3257.853271 4176.619052 2721.054642 4370.081581 6042.825775 1882.188851 1897.248875 3557.589315 3011.863128 3574.358817 5197.149459 4678.347192 3724.264622 3517.840513 4365.974155 2948.584688 1778.128365 1611.345073 3957.145088 No_result_found_in_bank_inhouse +M249T48 M248.9605T0.81 248.9604606 248.9601427 248.9608618 0.805966667 0.787083333 0.823266667 0 217 0 217 [52][M]- 443 2243.896927 332.3089905 0 0 1 0.036781201 0.034029894 1 282595.4079 10394.19861 0.036781201 281375.1268 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273932.1719 296252.8434 265817.6515 293591.1561 287753.332 277449.8049 287538.7363 287938.9767 282984.0362 282210.8866 274407.5178 288598.3547 294650.0725 267726.9654 278393.3017 282198.899 274906.4119 286818.9812 278188.8114 282400.837 284796.5052 285325.8301 286535.3311 299419.7366 275456.8655 292387.0956 277949.7072 292523.6545 280421.8072 285900.1529 291023.5595 282362.8469 282017.9145 264757.741 271892.8224 282859.7983 281289.8837 302190.591 295341.0814 268837.3499 286226.6242 268649.453 273094.2706 291139.7205 283012.7854 277023.4454 299126.742 282965.7511 292595.143 290032.9719 289556.3209 287143.8746 288736.5534 284346.5454 282319.723 270655.5139 274863.779 296250.3111 No_result_found_in_bank_inhouse +M250T48 M249.9639T0.81 249.9638948 249.9634978 249.9643181 0.805916667 0.786170453 0.823266667 0 289 0 289 [52][M+1]- 16 1479.632907 267.5053661 0 1 1 0.059880987 0.051018272 1 13334.89467 798.5066516 0.059880987 13329.95305 680.0711769 0.051018272 0.851994518 0.773792751 9.19E-06 11520.33704 14925.77405 3405.437013 0.926563683 0.926077821 0.828852751 0.924732655 0.82588821 0.507044165 0.60375458 0.896777633 0.583627868 0.890589914 0.507044165 14009.76589 12809.64354 15285.18472 14300.6865 12144.90456 12237.44892 12674.15357 12580.25903 14611.9253 13101.76426 14967.49322 13186.26243 13733.83681 12478.67362 13372.28603 12209.05132 15191.65555 12351.39268 14096.53237 12767.23469 13417.87225 12169.04627 13882.6425 12422.79197 13811.71086 13833.7339 12631.84923 13372.69266 13129.58626 13445.41642 12111.10911 14128.83586 13658.68243 13736.45293 12348.81221 13025.4661 13313.19243 13331.92386 15084.76062 13280.13174 13348.66515 12040.33066 13510.763 13663.50195 13469.54067 14083.64579 14200.27307 12872.71632 12869.854 14913.25064 14611.99195 14476.17425 13395.14036 12027.89873 13300.57988 13372.04255 13038.4438 13458.96496 12743.23784 13404.01898 12150.09437 13450.4779 13410.78365 13321.0023 12795.72523 13118.34529 14288.81995 14216.02539 12978.76502 14240.0851 13183.01192 13866.06059 12208.7082 12896.91495 13800.82666 13188.96532 14496.70791 12880.33961 12637.03978 12989.36048 13064.32008 12958.0298 15074.4601 12056.10734 12314.52414 13581.71618 12805.71646 13497.61101 12939.83547 12620.05092 13901.67277 13065.70225 14107.38755 12542.15278 13228.13566 12703.54149 14016.61395 14160.78 12200.81083 12775.13159 14658.40981 13010.19912 13101.72247 12368.66381 12609.0986 14359.41313 12138.41561 13346.14027 13276.69898 13119.35428 11933.59404 12225.59703 12052.2103 13255.88533 13406.24895 13796.77071 13806.25675 14736.32624 13996.48568 12815.57328 13493.40686 13916.63497 14287.74664 No_result_found_in_bank_inhouse +M253T880 M253.1445T14.67 253.1445249 253.1425124 253.1465047 14.67277103 14.65089553 14.69846709 0 97 0 97 [M-H-H20]- 272.168 20 4.820493712 19.12106583 3.33E-15 0 0 0.575982575 0.265493893 1 317.8849568 183.0961961 0.575982575 300.530175 79.78892602 0.265493893 0.460940841 0.900168799 2.12E-09 156.1761008 553.9831499 397.8070491 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256.9410518 246.3554654 385.8927407 306.0196796 314.680614 427.8306847 231.7416209 319.8244089 342.8937105 340.6634169 332.4076643 504.2588432 312.4841766 217.0611562 368.0602214 318.7758043 280.0368766 153.0098398 319.8244089 296.3964193 321.9216181 309.3383627 227.1089446 456.1425413 247.4706902 189.7974361 313.5327812 302.1703755 310.8313098 262.715008 320.4545702 299.2833974 322.9702227 273.3005944 267.3941779 328.2132458 183.804273 231.7416209 304.0950276 309.3383627 358.6227798 312.4841766 335.8517868 553.663239 292.5606888 183.804273 169.3693824 272.637201 397.4211507 259.005341 No_result_found_in_bank_inhouse +M253T1076 M253.2173T17.93 253.217331 253.2161228 253.2187234 17.93206071 17.91375611 18.08256083 0 369 3 213 413 21.36817113 21.22294022 0 0 0 0.796690281 0.119042104 1 5854.48162 4664.20861 0.796690281 5624.935279 669.6041293 0.119042104 0.149420806 0.953910724 5.55E-13 4540.324854 7465.253905 2924.929051 0.298578436 0.294279865 0.812332331 0.300418303 0.810685871 0.970545484 0.463384046 0.494139541 0.469055867 0.49575664 0.970545484 11099.77785 2292.106616 2343.53955 8349.986807 4861.88909 5844.136497 3824.95932 11877.55918 3208.129555 3082.099554 3190.710775 26575.93621 5568.88666 2704.009549 2368.954178 3831.107125 3445.544175 9207.362563 3550.90379 5469.208137 7335.307269 13886.58713 2211.602735 3444.594989 13135.78122 6883.494864 6463.392282 3929.628894 6523.845697 3090.296627 6500.973018 14586.6919 1702.941974 7826.985473 3836.608693 7566.923272 4146.694446 9351.835979 3373.40606 8483.821994 5446.955195 1963.199051 3409.475118 8347.694502 6342.459002 12095.80626 2618.80341 8719.636702 11431.84332 22995.92251 15196.46343 3370.558503 3051.6321 2604.620035 3340.307362 2596.972139 11845.79552 8642.78914 22859.58811 14055.93141 8104.856206 3921.086222 2425.309057 3425.351997 3141.528335 6952.142776 8177.235005 5000.31039 2599.496864 4696.570958 2640.634682 1294.112944 5545.320074 5437.885008 7736.812829 1743.654173 2185.97472 1697.144073 5703.113735 6808.693994 1896.59783 9012.682072 14198.86923 4586.262501 1098.207882 2758.315159 15554.97118 7147.847901 8182.728403 4438.392441 5393.273279 9665.374032 3667.653634 1726.50856 6382.446183 3174.077058 18815.70859 16359.309 7882.510594 4087.265665 5508.124751 4078.651052 9711.119134 10928.92442 5312.592492 4622.124696 3477.81649 2984.759308 5644.709588 3495.851018 5117.022996 5027.836776 3438.672241 4734.834454 13256.71676 13308.53302 5969.518617 8407.123284 4217.232168 2897.864013 2203.988078 13141.95774 624.0022035 No_result_found_in_bank_inhouse +M254T55 M254.0332T0.91 254.0332004 254.0320846 254.0341914 0.914497051 0.897774016 0.926427148 0 86 0 86 [M-H]- 255.036 45 108.9613837 29.09603087 0 1 1 0.407782975 0.255399043 1 917.5783315 374.1728218 0.407782975 796.0084646 203.2997998 0.255399043 0.626311196 0.978292622 1.57E-16 333.0496551 1395.293385 1062.243729 0.005378131 0.005685094 0.907981747 0.005567754 0.905542086 0.895228214 0.139997991 0.158842223 0.137588047 0.151362868 0.895228214 643.591103 1060.318438 624.8942095 991.9470533 1561.392826 747.7438059 714.0121478 1000.989944 644.0700737 438.0958533 1450.257049 1423.439799 482.7185001 1026.335403 677.7411755 1280.812449 1288.052194 693.0444574 1309.798125 753.0192473 1434.012337 626.9032261 1900.889468 1043.307015 1190.106266 859.1035976 639.3737609 991.0687408 1039.974446 763.4388885 772.1209433 1388.215055 785.311707 1206.216576 959.2801561 695.6107902 994.6723692 917.9708878 827.8397187 1075.61665 1153.396362 1026.358066 910.7861512 1317.515788 755.0353678 683.1250335 510.5928762 636.845135 1381.524808 777.2464641 874.6048055 668.7268162 599.9967144 647.3787498 1095.734819 944.0555936 1575.172491 936.0777621 818.5042789 781.8946923 1047.320274 1248.629807 948.2267102 792.9901612 1028.509786 818.3378435 490.3264924 629.1228154 736.9611227 977.8248958 952.5788053 699.7680827 1056.162805 633.8620583 655.9142909 863.9307678 1364.999659 561.8590205 1419.653257 1019.181878 1939.074292 2925.581102 608.5724174 637.1630364 939.2257598 765.0604546 772.8566451 766.5725264 898.1276892 1501.137095 1415.524642 515.1732229 1287.299721 477.7634936 847.2336217 709.1041774 945.0479671 552.7260286 658.4362843 965.6648896 1243.712961 602.7759215 1240.740485 598.3324678 650.1821416 988.5387252 983.8537267 877.8140263 746.176256 660.6504052 1153.108417 780.0612301 1690.579256 1156.475466 975.1008734 1099.064691 733.388369 1434.474402 495.7853102 916.3888913 1866.019395 672.0821465 448.0357749 No_result_found_in_bank_inhouse +M255T48_1 M254.9168T0.81_1 254.9168424 254.9160951 254.9184349 0.807379762 0.7871 0.823289523 0 147 0 147 [M-H+NaCOOH]- 187.937 16 Inf 37.46614219 0 0 0 0.439222294 0.139959172 1 3112.21747 1366.955298 0.439222294 2918.301193 408.4430173 0.139959172 0.318652248 0.915475953 3.65E-10 2127.835136 3802.70743 1674.872294 0.025113244 0.022512828 0.745030178 0.013207617 0.707953862 0.004499537 0.090703186 0.180740228 0.056382238 0.134034926 0.004499537 2864.948307 3810.176671 983.1817559 2451.248533 4526.110223 3109.454158 2578.083954 2127.009657 2324.976132 2315.936567 2869.157949 2572.660215 1788.929924 2250.851699 2531.982172 2734.468429 2541.003846 2391.868914 5586.494447 2245.946152 5275.9617 2373.873264 4160.726151 1277.207779 3083.662401 2630.759158 3253.339463 1842.563081 3900.572321 3060.796728 2133.494094 2798.649341 2432.546956 2745.274557 1916.843339 4167.23949 2764.298994 3653.792195 1958.11015 3834.718349 3104.18664 2628.705518 3780.039825 2125.201744 2396.570009 2028.478398 2039.6121 2488.59226 3599.554805 1483.541831 2677.18432 1334.981314 7203.121742 2944.186338 2854.694644 2048.897132 3846.334931 3394.356678 1933.562965 2545.54152 4318.200227 6404.608962 2569.044389 2644.976735 4744.867697 4701.477785 2716.387789 1908.589977 1899.212618 2249.041162 7549.762948 2689.270604 2872.773775 1561.948771 3102.232466 2461.565236 2990.812078 2045.802122 2338.53548 3384.413157 4576.731787 3574.244023 2808.206442 3211.757464 3202.304481 2073.676224 2891.756861 2821.248254 2936.05073 4393.883629 4472.290569 2589.835388 3016.603834 2579.891867 1756.38749 3260.078015 2481.166971 2632.321344 3234.356377 3030.966163 4857.103575 1623.848986 3199.20947 1992.155268 1646.545732 2590.739345 5193.428079 2759.779211 5336.055252 2654.487574 3397.068548 2288.244632 1843.167315 1823.280272 2795.937472 2092.227283 1800.681359 5148.032299 3136.277584 2246.977822 4324.527922 2044.749615 2510.287216 No_result_found_in_bank_inhouse +M256T55 M256.0304T0.91 256.0304271 256.0289478 256.0319553 0.914871505 0.897774016 0.927904862 0 70 0 70 45 Inf 29.94688084 0 1 1 0.432092884 0.28260206 1 627.1953633 271.0066534 0.432092884 538.7252209 152.2448574 0.28260206 0.654030813 0.961979606 6.93E-14 177.6934424 932.3327044 754.639262 0.001956273 0.001943075 0.828852751 0.001944865 0.82588821 0.895228214 0.356576048 0.050187272 0.35418121 0.046960903 0.895228214 635.6112444 665.177882 409.2662791 492.1237691 1109.725809 359.0009714 845.1122103 413.9921625 563.3843121 498.1771801 667.0367455 835.7788511 321.6702111 648.4655303 313.8777744 493.515483 987.2489007 507.224981 898.332553 559.8561704 1046.472027 503.4826407 1226.109806 516.4519304 818.9310962 538.7279138 297.3346722 759.9154147 521.2783589 526.2914206 452.4417044 864.588605 492.2024047 563.3280553 461.2038674 377.702317 517.7839604 609.5808177 301.7041761 477.7301066 564.8018605 997.9876299 414.7040171 377.3158716 524.5068766 242.7649232 556.1635564 410.5807265 776.0496942 667.5811444 525.3252851 372.1234442 593.3684096 733.7273289 557.9503996 546.0383367 1342.528467 440.3024526 933.3643775 1071.590243 276.3914007 783.9094123 894.817223 693.4652311 931.1855469 1002.998792 350.1738052 662.3063619 501.2866937 469.9760562 781.6851349 355.965501 859.0411056 592.4977528 389.2026899 595.8532373 896.6059866 618.3640383 379.4952587 716.3183814 964.8005766 1402.959791 281.5387036 235.034695 363.2738749 424.5213996 353.003234 663.3773313 561.7694018 931.9002149 575.1131048 410.6127994 1130.436979 518.4770256 445.7680548 356.4670585 992.9306802 427.8806352 382.0757522 458.375729 690.7310044 410.6797331 853.0331863 331.6064449 458.5825694 368.5741935 792.222337 665.2733956 766.8147247 390.869679 614.4390396 458.1010893 661.7988553 398.4841199 572.4226357 649.7285955 569.9908491 970.4296554 344.9617516 873.1787151 1429.166014 762.046797 648.5110779 No_result_found_in_bank_inhouse +M259T55 M258.9822T0.91 258.9821598 258.980124 258.9845318 0.914842656 0.899403749 0.943095753 0 112 0 112 45 Inf 34.32473428 0 1 1 0.417946482 0.225898507 1 333.5525484 139.4071142 0.417946482 339.5904489 76.71297525 0.225898507 0.540496251 0.906781244 1.03E-09 169.9048932 545.0599085 375.1550153 0.890407325 0.892301966 0.907981747 0.894174936 0.905542086 0.981739117 0.904361076 0.783330869 0.90300562 0.782453521 0.981739117 247.6608563 248.0662603 161.127428 438.8367308 367.977673 259.3201235 219.6723181 300.9768886 183.5317787 263.7386704 258.1268842 297.5280699 458.850385 451.44547 653.1133248 360.3610677 212.4732162 322.1442409 207.9011151 370.0592463 217.6441595 428.6963129 191.5676196 297.2251334 693.3184473 439.4119844 511.7479513 238.7336534 550.2553727 300.1512151 307.9088119 464.7685544 227.9505062 280.7565099 166.1448073 362.0632739 284.6327593 258.2939918 285.9906139 411.9846436 346.053182 475.7405832 443.5997673 512.4859531 316.6129884 118.7144563 238.6698152 270.3329199 454.6216856 355.359258 385.0443197 193.36484 280.5444186 332.7089705 378.5460217 251.6954836 239.2420109 353.1042144 338.0847873 304.787368 489.1982261 303.8457009 267.2832335 242.5888564 451.1925723 477.9035367 260.200159 372.6173419 286.5471913 183.8199597 350.2395915 265.181719 303.7789165 247.4013465 187.9575761 370.8513694 415.1327964 282.0915966 181.2826566 213.4121358 185.7658952 380.6780532 818.3934498 195.3284948 404.1891072 335.6870992 378.7309888 201.8281025 403.0436699 217.5035719 222.4627311 1151.140506 324.5675062 311.5463318 380.7663483 341.8470333 478.5086244 295.0002054 466.9238081 378.2604108 343.0895785 571.0216179 330.9598335 188.5028383 260.8811537 289.8326424 1081.715237 419.7554903 140.1831778 256.0897652 351.6715009 248.2507493 162.4330502 102.8370904 572.9002219 247.2032817 224.8876615 594.5809566 441.884651 557.1733967 354.8603446 266.7435714 255.9099186 No_result_found_in_bank_inhouse +M261T53 M260.9791T0.88 260.9791437 260.9778504 260.9818844 0.878761315 0.856183194 0.914302354 0 75 0 75 33 Inf 30.31213952 0 0 1 0.321026652 0.229793317 1 2611.169805 838.2550996 0.321026652 2535.809742 582.7121322 0.229793317 0.7158076 0.785013399 5.56E-06 917.8677218 3614.886538 2697.018817 0.890407325 0.892301966 0.955954924 0.893760831 0.955848332 0.895228214 0.963117998 0.89950894 0.962082819 0.897619282 0.895228214 2778.133526 2537.185261 2639.321494 1849.985805 1132.744811 1887.212668 1868.759415 1266.135278 5059.464296 2860.384897 1465.528136 1861.784513 4879.93302 1187.439374 4209.454077 2056.487992 3067.745901 3607.061907 2905.58821 1902.355799 2287.874669 1973.023742 2444.98465 1947.154227 2671.500647 2381.888272 3025.333963 2691.691488 690.8425746 1228.15447 2630.488001 3169.506305 3030.609133 2148.431673 2111.20481 3086.03642 1345.966277 2074.400822 1985.643018 2652.571734 2177.686756 627.4919695 2398.29333 2885.812151 2034.858192 2992.536128 2653.833661 2726.5781 2407.583152 2478.42573 3823.640511 2919.469413 2234.242747 2787.785826 781.4176323 2270.207683 2127.398137 1756.800869 1684.752424 2482.073299 2687.13276 2821.039063 1899.274182 3720.214732 1262.082889 877.721222 2612.190052 1986.904945 3507.7561 2514.390666 3448.217061 3224.874116 2192.941683 3198.355404 2005.833859 2048.739396 2871.516166 2163.574804 1172.872868 2405.555338 3212.82947 1022.177907 2821.670027 2790.232151 2537.105362 2809.308387 3353.035191 802.0205167 3448.053137 3333.381653 3961.821578 2460.689856 3383.858755 3398.800606 2463.349666 2789.490874 3011.590125 857.3416058 1380.334535 1388.753129 2690.429561 2480.949585 3204.034078 2656.357516 2116.883484 2382.624768 2566.76066 2162.489229 2871.18574 1977.440488 1223.298293 2559.820058 2212.198202 3367.538217 2767.315024 2835.55123 1553.927283 3297.410748 1848.092913 3217.284317 439.6525818 1794.208744 3741.095062 No_result_found_in_bank_inhouse +M265T880 M265.148T14.67 265.1479835 265.1465683 265.1491371 14.67308683 14.64630556 14.69077019 0 150 0 150 [M-H-HCOOH]- 312.173 20 3.600495851 19.68251006 7.70E-07 1 1 0.181690198 0.139351982 1 616.4027306 111.9943342 0.181690198 618.3033144 86.16179241 0.139351982 0.766975784 0.870998071 3.09E-08 366.3844682 858.503622 492.1191538 0.513743734 0.515488007 0.828852751 0.516848503 0.82588821 0.926511606 0.609859933 0.6859287 0.615260282 0.691130805 0.926511606 602.942625 451.2554264 549.2138389 540.4397541 350.1932758 689.0462551 471.1879794 552.0904846 548.7212937 551.6653761 564.0120791 407.1075813 660.2133864 583.6519898 580.2824209 633.1009539 751.0839212 829.726583 735.0381309 587.8469005 692.1983196 412.1044628 640.3034053 642.5290719 592.6224616 524.7353494 828.6607241 544.1358086 574.5466766 720.6242141 607.196556 791.3128967 524.7364811 522.0580706 603.6020636 580.490685 528.7152314 524.2367397 773.8449047 406.1645937 748.0537155 557.8730787 700.5886293 593.564115 614.2346858 803.0631238 686.0997759 454.7421164 618.154723 499.4400511 530.9131057 535.2025322 485.9265145 627.0218534 668.9192269 682.445908 542.9632493 568.2470087 577.8256342 781.528095 415.7021137 769.5967543 629.2973711 510.7526969 617.3222515 562.3547182 499.2022094 535.9951152 586.0716323 573.4088831 634.9340554 613.9007265 615.1741646 688.7307293 693.5837262 639.1302191 627.85828 745.3406563 694.3692795 462.6920399 594.2726583 651.4434781 573.9531826 536.8281242 676.5126069 685.0302161 447.658146 549.1269768 849.6290715 476.3925586 625.807643 520.3238976 560.9276878 747.2024479 682.5016306 963.7381961 513.7529237 568.02715 679.4352528 528.8488254 672.7567534 573.4053811 450.3208097 475.8047162 674.5867668 537.7457342 588.7679141 669.0254561 635.9879753 618.9852027 643.3193262 748.7312878 642.3053048 624.3422258 624.3383915 543.9932515 397.4409702 429.3207175 640.2091833 617.0513275 786.3381288 745.8209199 636.0365013 No_result_found_in_bank_inhouse +M267T47 M267.0575T0.79 267.0574581 267.0559492 267.0592661 0.788876515 0.771699645 0.82164698 0 254 0 254 [M-H-CH2]- 282.079 16 Inf 59.02564225 0 1 0 0.288456393 0.224273341 1 779.9291406 224.9755465 0.288456393 753.3578008 168.9580706 0.224273341 0.777494783 0.876931749 1.89E-08 385.5770843 1247.325296 861.7482113 0.243837898 0.248561759 0.932203586 0.243795862 0.930712682 0.829658479 0.59278131 0.680067555 0.583627868 0.679778253 0.829658479 620.4613866 660.9600206 849.313915 762.29281 538.5259221 650.1207399 564.3015218 641.6283209 1077.972401 661.8805778 359.9378385 579.0304359 831.26309 556.9370648 973.9494455 455.6757803 599.5139819 934.3654888 1185.48385 720.3313979 1110.558147 442.4637021 1279.158726 619.9268824 702.3884358 827.7606672 651.7544493 450.2102928 1207.770957 589.1565644 631.4818492 968.4261027 945.4121744 721.6822248 715.7214796 672.0067062 646.2311065 743.8101625 568.2961683 664.3171404 1013.533402 802.7258189 1573.778356 1031.944545 652.6562432 712.51122 970.4592937 596.5210214 803.6463761 600.1642159 510.3745996 438.00801 940.9557627 491.5775084 715.2728914 754.0253007 1123.079701 1110.191901 671.0861491 891.0993036 784.3146763 869.15118 664.6422492 628.740521 912.2721176 697.7823059 577.6390709 802.5137398 933.4449317 1144.310876 693.4551842 721.7167913 1152.537529 699.768421 627.3000442 620.4768289 529.4086027 543.2618153 962.9027599 878.2115038 1200.4065 635.184421 998.3496047 844.1508899 620.0229026 404.1245809 425.2973949 637.9460924 854.2770183 1224.488069 654.2497761 762.2213051 618.251055 759.4596338 787.0763477 900.4819621 500.7478262 945.4121744 641.6283209 589.1565644 720.5979132 556.7025907 503.7733634 778.556411 604.4982492 196.9992262 1005.406874 1021.818416 1010.771731 764.2907146 709.7495486 685.4181608 857.9592469 600.2032499 695.9411917 930.8131337 867.1648182 480.5308228 433.3194331 573.64919 757.6185195 743.8101625 650.8338922 No_result_found_in_bank_inhouse +M267T800 M267.1238T13.33 267.1238024 267.1228014 267.1252471 13.33258311 13.22557675 13.38910032 0 148 0 148 [60][M]- [M-H]- 268.131 89 78.08534368 21.82018284 0 0 0 0.801169353 0.22665854 1 1999.89053 1602.251002 0.801169353 1864.042631 422.5011807 0.22665854 0.282909648 0.970244766 4.86E-15 1099.908631 2687.954045 1588.045414 0.151529473 0.1536576 0.907981747 0.155507467 0.905542086 0.897437208 0.448317409 0.560283294 0.448648926 0.563729156 0.897437208 1249.154368 663.3446029 1303.406458 8000.826948 5441.62121 2151.095362 2839.208992 1660.713793 3282.222822 1302.382252 3092.471766 1583.872456 593.5601234 2361.694969 1317.280062 1467.826355 3904.794166 873.4821367 2014.108835 1025.364498 720.1964925 458.4301591 2914.693526 2227.048288 1296.624947 1258.648484 709.6062241 503.1881332 1461.553593 2700.424128 1814.732405 601.4010761 1771.271227 1089.110703 724.2653992 2009.636191 1727.361891 1841.839802 4345.592395 1018.582987 1725.009606 1760.293893 3264.619506 4547.752597 1155.569513 1007.562429 779.8737913 2875.277374 1220.836344 838.1947879 846.3326014 1159.63842 1236.947648 1894.374185 2026.102191 1660.113949 3237.529392 5986.567427 502.6050715 2681.605841 1584.656551 1152.856909 2320.13792 1921.81752 1509.383405 2665.923936 750.0351419 1042.996427 1251.416059 983.3191282 2808.901951 1357.268922 2383.649637 368.9142109 2255.530635 729.6906082 2058.866809 608.9797084 2634.560125 977.7668083 3733.077606 7281.108726 505.9007377 2815.686134 726.9780037 655.5036501 987.9600469 3909.499043 1476.451403 6058.602132 7777.037077 1155.756436 3006.922079 981.6872846 1812.044181 2199.922243 575.0721522 2262.114869 3430.416829 1411.371496 3832.910147 515.3948534 3027.266613 832.7695789 1135.22498 3476.678451 6971.393543 3097.960433 1046.767192 2107.69369 1301.598157 665.9444027 669.6173651 701.7652714 806.8340383 1014.51408 1771.271227 3105.801385 6327.149977 2250.105426 3499.417214 723.7199391 597.4805998 No_result_found_in_bank_inhouse +M273T43 M272.9589T0.72 272.9588612 272.9579721 272.9603113 0.720438644 0.703217439 0.756572568 0 201 0 201 141 Inf 36.77575905 0 0 0 0.427806872 0.295745163 1 1084.45487 463.9372451 0.427806872 1013.270753 299.6699241 0.295745163 0.691305313 0.981130719 3.41E-17 562.2611506 2018.320064 1456.058913 0.975939116 0.975977533 0.907981747 0.975955476 0.905542086 0.828457199 0.864754546 0.853860476 0.864537561 0.850205389 0.828457199 1364.997545 1176.232823 915.7001073 823.3318524 860.3060286 1156.31371 781.32433 1600.865611 1259.460849 952.8759764 709.9860216 2873.065444 999.5855831 1657.766405 828.0339367 509.5593457 474.3851116 1245.023335 825.61255 905.4369678 815.3494106 545.0867388 1171.138244 774.2968529 2151.838235 1327.366033 2134.204393 1037.717432 1017.42016 1368.166843 909.9983632 1374.111702 1026.762082 721.8408069 1120.962896 904.4678386 947.780383 1587.277362 1311.40115 964.7351068 1318.060174 631.8535886 2012.715678 642.8940411 574.7358083 957.9715699 1392.365917 1967.74834 1739.2959 1337.629173 850.7002242 1850.786145 2546.398928 873.0450123 1737.597369 1078.769989 627.6072608 1864.987205 624.2101985 806.8022973 1162.644574 555.3498783 931.644337 817.8427498 583.4454508 1032.706941 778.8582482 829.0335965 1386.850686 1570.260333 431.0518562 1555.854535 929.0965403 1066.226152 590.7006919 761.7530158 1063.945455 661.4023191 712.5338184 388.9636339 585.9932475 1367.317578 972.7175486 1284.089551 1298.857313 787.2691891 1273.898364 887.4825271 1450.545604 762.8933646 818.7704571 724.4235364 767.4547599 805.9530317 794.0633137 849.5598754 1816.57568 903.618573 933.3428682 664.9749461 1819.996726 748.0688299 1320.523941 884.910689 1341.050219 1224.640961 1423.155335 2262.443495 1493.008883 890.6124331 985.1480683 1298.857313 848.4163106 961.3686322 948.6296485 799.384527 783.8721268 1544.814083 1188.243477 1204.20836 637.7984477 781.32433 664.9749461 No_result_found_in_bank_inhouse +M273T54 M272.9913T0.91 272.9913461 272.990356 272.9922728 0.907827281 0.882251051 0.925999898 0 104 0 104 [63][M]- 45 Inf 19.75450077 0 0 1 0.269287346 0.174608411 1 4798.382251 1292.143619 0.269287346 4357.226034 760.808316 0.174608411 0.648409271 0.951157655 1.04E-12 2806.106599 7144.656317 4338.549717 0.000138845 8.51E-05 0.715391897 8.93E-05 0.695696123 0.913544343 0.000165068 0.2268802 0.000186654 0.227349355 0.913544343 4182.365396 5442.722416 3886.621138 2841.162528 5142.305319 3126.818563 3873.576672 3904.208039 5364.630682 3663.545418 6069.058522 4077.173818 3894.677506 6014.349168 5260.826041 5569.468915 6807.427542 3321.154481 5346.75886 3047.705646 3675.299387 3708.749815 2790.190448 3588.222083 6283.370839 3856.887424 5328.453915 4576.868061 6027.970235 6111.504349 3927.504994 6708.355854 5707.934099 5149.773008 3766.093406 6760.109419 3515.619495 3739.413199 3618.486756 4197.763212 4773.139542 4724.509054 3444.863107 5105.944 3358.316762 4290.312556 5142.339579 5274.585186 6777.907291 5770.995239 6615.751281 3815.472609 3794.234242 3113.032008 5422.203808 5910.637501 4799.433467 7591.041518 6680.309213 4003.965809 6019.724931 6841.408929 3431.236479 3271.382608 5352.585854 7161.168539 3979.538993 3751.757508 4366.649092 4505.719532 6396.465143 5856.015712 4045.219099 4400.589616 3230.355601 4543.948592 4074.580685 3115.66842 4625.752517 6356.034433 6914.796302 5122.614507 3424.686658 4357.541105 4937.920298 3784.898741 3725.835164 4231.633002 5464.940462 6180.36476 5760.907014 3249.895047 5686.041771 4383.168611 5190.655749 3872.816199 4631.556856 4167.12724 6652.032409 4232.109413 9803.630149 2948.416281 5866.56789 7153.081963 3574.948104 4296.600219 4089.978501 4138.496668 5036.010648 3975.822279 6414.536884 3376.900333 4722.288642 3954.853222 3853.949186 7811.471336 2742.969323 5782.865707 3246.815336 6104.968558 4268.149451 4297.165794 3776.910099 No_result_found_in_bank_inhouse +M274T43 M273.96T0.72 273.9600049 273.9581586 273.9629867 0.720439216 0.703217439 0.74725632 0 115 0 115 1191 Inf 39.78336129 0 0 0 0.404838969 0.261501243 1 364.4506834 147.5438389 0.404838969 338.8474158 88.60902032 0.261501243 0.645938911 0.904378648 1.35E-09 157.7548483 570.922308 413.1674597 0.592719381 0.594866139 0.907981747 0.58239599 0.905542086 0.749653067 0.682015887 0.913996348 0.671984138 0.913037985 0.749653067 491.4035013 330.810396 316.9658948 247.8290385 247.8848789 345.6842812 214.0013343 490.4197245 382.5273851 357.5605628 295.1435069 763.2714258 288.9018013 584.9369805 323.6770182 201.5179232 179.7558262 454.7528354 375.4663116 252.0836143 306.3294554 221.23794 398.8664783 438.2213042 555.2221379 517.9945999 632.1956085 320.1568266 321.8936737 510.9281857 418.0120693 417.3026019 307.6269181 175.5012505 474.3851982 326.3520348 343.2938071 610.795475 537.1401908 576.4950167 558.1868137 238.0764844 473.3215543 174.7677564 279.7383568 344.1854794 530.7583272 522.5199246 578.6952749 456.3032512 190.3922657 549.9039181 848.7878659 359.3439072 453.8611632 316.9658948 181.9011342 586.7203249 117.7007339 343.2938071 338.835446 108.4916821 271.0683568 252.3432401 282.6600958 444.9444409 255.2745461 274.4201371 384.3107296 347.8115691 166.9920989 406.6025352 389.6607629 376.5299556 292.5020841 227.6198036 275.483781 388.2300389 324.5686904 179.2261175 205.0846121 588.5036694 320.1568266 334.3770849 610.5316229 301.3852125 507.3614968 551.0534359 654.4874141 397.8028344 171.2466747 238.0764844 225.4925158 542.1367136 368.2606295 360.5752964 569.0495091 405.710863 377.1773517 207.7596287 633.9317896 321.2204706 405.248342 160.6102353 355.2570767 363.8022683 264.8473416 657.1624308 421.7609631 185.074046 242.5348456 426.5212208 370.9356462 292.4684902 329.0270515 423.330289 211.3263176 449.4028021 517.9945999 369.084448 137.3175229 358.452235 378.9606962 No_result_found_in_bank_inhouse +M275T43 M274.9569T0.72 274.9568965 274.954299 274.9584511 0.720543521 0.703309344 0.746541309 0 87 0 87 [M-2H+Na]- 253.972 141 Inf 37.36370755 0 1 1 0.415968107 0.281882079 1 421.2746134 175.2368036 0.415968107 340.7664109 96.05594441 0.281882079 0.677653104 0.935618266 2.01E-11 158.9086631 586.7263 427.8176369 0.863530473 0.864184338 0.924153787 0.86354215 0.924071385 0.897437208 0.963117998 0.802337537 0.962082819 0.804473774 0.897437208 430.1432591 264.4420588 528.6498706 498.1707504 519.3446733 504.7826602 288.0556042 768.7771198 387.5949736 496.1962717 479.7977394 982.6999365 312.4225098 481.7566816 512.175072 145.6167655 170.2642858 471.9334374 353.9913398 251.7655273 346.4707378 424.2115029 476.1192067 383.1040945 705.2395706 498.2776266 746.4787527 302.9705679 318.8758312 537.4652266 365.8376007 556.9611039 382.3615032 246.1409979 589.98459 369.6753245 406.1384513 404.3730862 446.8077017 324.9822706 684.2158366 407.4609053 474.557145 364.1951712 217.2850832 297.8922568 880.7231865 702.8800688 627.4678969 438.7796008 231.4842867 650.8766013 841.7272032 897.8206885 528.2723241 301.7499568 294.6656077 545.7200026 490.8043445 389.5580289 606.8762939 200.9902248 477.9883052 422.9303025 168.9284493 431.9402141 216.9470049 315.1894748 776.5066083 421.1928348 252.3778422 452.0713038 317.8245306 375.4482226 183.4509366 336.1414526 228.1849879 295.5327102 365.7464767 93.31013585 479.1319235 670.640692 648.1608895 524.9693928 394.379005 332.2269216 494.993932 332.1306243 601.2008488 338.3154223 223.6564712 186.5884715 185.1470101 274.4927562 367.5737646 313.0055961 900.3014825 347.7541345 281.3210029 255.0344073 1019.359241 380.8166521 615.1809941 301.8075522 245.9281609 581.8255056 367.8376319 439.4710073 478.8467017 300.764129 376.1583488 420.0350951 381.6998171 292.4283911 344.2755609 343.9566974 475.2531225 452.7694349 437.9986354 396.3231729 232.6882928 205.9437045 252.1411693 No_result_found_in_bank_inhouse +M275T55 M274.9885T0.91 274.9884626 274.9873048 274.9897091 0.908407845 0.882608587 0.925369761 0 132 0 132 [63][M+2]- 45 Inf 19.84583958 0 0 1 0.285739285 0.190282987 1 3166.765076 904.8691883 0.285739285 2907.101337 553.171927 0.190282987 0.665932189 0.966987868 1.50E-14 1795.392106 4647.489511 2852.097405 7.20E-05 5.43E-05 0.745030178 4.08E-05 0.72890136 0.464825899 0.000987191 0.088026811 0.000643532 0.077074533 0.464825899 2814.015678 4045.684386 2293.670181 2094.683253 4905.982252 2474.567389 3114.338303 1893.265082 2719.183029 2536.529047 4967.488888 2136.429708 1888.540408 2562.370328 2766.262165 3220.07003 4301.097134 2871.606396 3450.348208 1755.767014 2122.881935 1998.914143 1984.548776 2949.156533 3483.867396 2248.97793 2963.970304 2866.688688 4457.317446 4357.774169 2915.105294 2540.41774 2394.706194 3350.322693 3022.047467 3717.12365 3063.705395 3190.995171 2239.401019 2794.329805 3561.660673 2443.657444 2366.561115 3472.593335 2220.779247 2150.173073 3209.329281 3975.137157 3517.633765 3794.584953 3959.520642 2572.996751 2661.849203 2761.22896 4285.259108 3464.181524 4840.902867 3265.245268 3837.130729 3391.398897 2159.2784 4381.968827 2574.541868 3176.409244 3177.629692 3707.488964 2793.797755 2569.272397 3680.546397 2959.265495 4284.071514 4436.734518 2687.221085 3527.495546 2268.131752 2811.355425 2776.772135 2218.118994 3265.594042 3143.958497 5929.783271 3917.011593 2102.664012 3400.794277 3306.694543 2383.220437 3201.450905 2830.788865 3740.39017 3889.822012 4027.091069 2671.662111 3833.424647 2672.921232 2052.145795 2346.343191 2966.714203 1733.392474 4059.324986 3742.787004 7093.830787 2307.503497 3566.335241 4571.378844 2309.099649 2455.030961 3317.867606 3708.622074 2607.482585 2512.342982 3183.970918 2458.60587 1938.889436 3068.509333 2769.97736 4837.9362 2361.95102 2915.577031 2478.291743 4445.282849 4445.667977 3197.066824 1874.124795 No_result_found_in_bank_inhouse +M276T998 M276.1605T16.64 276.1604745 276.1590988 276.1623433 16.64132697 16.6298161 16.654424 0 70 0 70 39 8.166957894 17.71432873 3.90E-07 1 1 0.29266186 0.220750621 1 447.2122955 130.8819822 0.29266186 428.5848026 94.61036137 0.220750621 0.754285581 0.841839097 2.52E-07 256.4597228 711.2152425 454.7555197 0.652776398 0.652235609 0.828852751 0.653426119 0.82588821 0.91798044 0.906045885 0.503713383 0.90797991 0.503966699 0.91798044 441.088888 532.8576461 525.9023828 418.3219289 364.4492852 525.7509509 524.0595855 337.2485848 505.9958674 343.070055 386.1001077 405.6814746 411.8442737 554.7575715 121.5821287 291.0325548 434.0107873 306.7720224 404.3168852 561.8989826 470.6965208 416.9580454 462.2932702 309.0505571 344.2132045 671.8306584 533.0403276 517.9627023 290.0865418 351.9562648 471.6801892 492.9784284 261.8605577 700.9556671 576.3525561 347.7837531 563.236785 464.0046549 618.1643345 719.0546658 509.8517661 531.6007121 373.7654575 515.2828311 495.668692 616.4012638 271.0440005 482.6145118 481.6789073 399.8174392 303.425696 535.5215694 366.4036057 390.6551248 631.123116 342.7889642 300.982684 342.7000468 612.0330823 496.8209792 350.7161119 628.1031935 294.8077052 636.2702881 513.2418885 686.3627275 590.5140991 279.7214507 296.6430069 479.4914383 345.6496121 417.0559232 368.8083276 295.7647025 333.0851678 512.6676925 340.7245539 603.986984 634.3435749 543.6269104 396.1286649 393.7209551 423.27941 454.0074788 525.1197544 422.8103428 464.3239299 405.8858857 399.7010019 249.94533 828.9076521 432.0814585 257.3545071 285.725972 544.4834065 405.2098655 586.3792156 546.0531271 491.1846225 514.7866804 433.2315074 413.2444874 321.9595831 478.7553818 402.9856684 760.7654858 469.2753555 547.1923048 532.2762435 687.7297963 333.9977768 333.3833965 419.3641687 519.9909857 326.2701417 644.3616269 410.9466955 348.5649464 339.2606155 485.6863404 399.9033531 533.5574393 353.3937565 No_result_found_in_bank_inhouse +M277T1050 M277.2174T17.5 277.2173626 277.21581 277.2191605 17.49825755 17.47987546 17.71775395 0 155 0 110 527 25.63028972 29.37329139 0 0 1 0.578643664 0.178572894 1 2011.316141 1163.83534 0.578643664 1816.787003 324.4289136 0.178572894 0.308605979 0.975354163 6.27E-16 620.9054158 2482.879767 1861.974352 0.970352632 0.970573672 0.964930139 0.970869742 0.964863118 0.924056199 0.963117998 0.978653615 0.962082819 0.979307305 0.924056199 3206.088 2520.247852 1363.98155 5188.066553 909.7526119 1931.697732 1703.632399 2350.220173 2556.370009 1841.775095 1885.845551 2326.744442 2182.272312 1867.452896 1542.436572 1871.576042 2268.122135 2624.333758 2040.487145 1960.037831 1921.641567 1092.465116 522.0063439 1331.070467 2374.168958 1186.627381 1779.829782 792.6085817 1258.830881 2893.984906 1965.523011 1669.86337 790.4654084 1599.844311 2470.159617 2963.718295 1007.997144 2288.410375 994.6460634 1816.508941 2224.045644 1407.494435 1617.21405 1489.975622 1979.235963 4408.892112 948.9362259 1181.947054 2799.816802 1406.034601 1668.409068 1741.544808 761.5258923 1973.801507 1157.908857 1315.529122 2527.334014 2767.373359 4012.125664 2087.568311 1542.220977 1454.487028 1012.445174 1637.099459 1075.646572 3706.316338 2963.825862 918.7677332 1447.698745 1185.713184 677.4197913 1706.580197 1152.917127 2358.627614 1815.594744 1044.926885 1054.068852 666.4494303 4080.437762 1692.055569 1626.76609 1082.382353 1642.811559 1634.689894 540.2902789 1177.009322 2535.533017 5412.508974 1207.980575 1692.178183 3166.77754 1070.280441 1335.641451 1356.88437 2200.589569 983.6757024 1805.53858 2063.421989 2392.795238 1311.096508 2042.315538 852.0313705 1244.221776 1624.527624 2280.92089 972.8729816 2322.059744 825.582745 1566.015921 715.8160548 1031.224762 1416.090765 739.7760809 1114.153411 2047.741128 1845.763237 4588.45927 1717.702783 1569.675819 2821.211169 567.2937101 3355.771804 590.3439534 No_result_found_in_bank_inhouse +M279T1092 M279.2329T18.2 279.2329489 279.2301724 279.2346927 18.19542134 18.18108535 18.55411119 0 310 0 279 [65][M]- 495 256.754933 32.25970093 0 1 1 0.574367653 0.140649574 1 40812.2177 23441.21768 0.574367653 37212.99542 5233.991968 0.140649574 0.244877256 0.983774495 6.56E-18 28419.23834 50390.35278 21971.11444 0.827702065 0.828418633 0.978829472 0.830948372 0.978101298 0.896173123 0.992944104 0.840052954 0.993066105 0.84094756 0.896173123 73670.96959 44175.74194 31486.44773 87049.12901 21069.84932 30722.90504 39813.72673 55025.25772 54205.92676 35298.49579 20996.71726 70102.46283 42415.93843 30704.72091 22247.24767 57713.01875 81521.5053 137591.8542 46118.57654 36729.77196 66502.53497 42984.97148 11867.00427 24242.7905 55761.75778 30162.59573 24590.02487 15082.19421 34627.37784 35480.35989 55793.28481 53852.01903 19186.06774 24835.58038 40526.91219 96003.74534 36590.6009 47253.99152 25429.03615 26501.06754 67244.11866 9856.673592 35340.13506 24895.51452 56945.60325 95754.54763 39646.92746 38606.30333 80668.79396 43368.176 46733.22634 45988.32274 13206.3318 30559.95769 25998.72958 31016.35622 66726.15887 65436.57084 120967.4548 44297.28176 35007.2676 31638.19323 8268.791602 15478.45803 17797.50544 52523.56117 50039.14797 29854.83779 20226.53681 48369.22011 23666.82182 20448.69255 53325.67559 49994.30705 31827.40007 21988.04487 18475.36161 13888.49212 76803.59651 45955.21577 28158.31948 44240.5612 71364.1998 52458.36253 10695.10989 39603.37853 46560.85602 110354.568 40082.91478 31543.35556 65089.60734 19599.58843 31083.67955 21795.10168 46905.26249 23245.10703 33962.60594 65316.04085 63743.75417 29499.1565 63352.43859 29744.56527 30328.75743 84508.19667 80433.22576 16888.13866 46528.94994 11358.80897 39908.23271 20797.73189 14170.58589 40529.88762 25422.44764 16563.37186 40730.3935 43280.20719 84688.10738 16324.11176 33429.92967 41207.22513 16959.26777 63341.05335 13220.9587 No_result_found_in_bank_inhouse +M280T1092 M280.2364T18.2 280.2363937 280.2350222 280.2379539 18.19507748 18.18477814 18.35715633 0 93 0 92 [65][M+1]- 495 150.9898776 31.49921281 0 1 1 0.59152075 0.195258043 1 8320.114135 4921.520153 0.59152075 7320.044945 1429.297648 0.195258043 0.330095001 0.975862013 5.00E-16 325.8730106 11664.44279 11338.56978 0.824893245 0.826779857 0.972894279 0.823770286 0.973088589 0.896173123 0.944531655 0.909598434 0.946027179 0.908172131 0.896173123 14969.25034 8284.652927 6611.459018 17154.44895 3567.014082 6250.290195 7829.560731 13043.55268 10693.1529 6672.147241 4714.778336 13814.70026 8680.891238 5984.848851 4608.942124 12833.31003 15780.80521 27686.14983 8519.984268 6709.265918 12721.87843 8195.980086 2473.625026 3817.669909 10065.49176 5801.980592 5461.871436 3328.447954 6773.618698 7003.387331 10947.90612 11526.08718 4255.084903 4787.233989 8121.682878 21455.40108 7590.247072 9103.075602 4919.002301 4835.434208 14029.87199 1655.861935 6297.446327 4589.521374 11901.66396 18058.27702 7835.600815 8017.877987 16730.17053 8635.141678 8165.329441 8756.186343 2683.023498 6174.489039 6558.447498 5141.295409 13622.90126 15563.31273 25041.42905 8698.428404 7161.99956 5796.2621 2019.669797 2471.132427 4313.415625 9783.237167 10392.61397 4756.208858 3829.664699 10444.71456 5295.886399 4984.574548 10638.84476 9258.274185 6302.072474 4752.935341 3697.214883 2356.000612 17426.36333 11252.85702 5894.654343 9495.783375 14851.44747 12193.74919 2378.870686 7603.175514 10648.45609 23965.11209 9333.690543 5464.527054 13401.82764 4811.769183 5805.146443 4602.698004 9847.228069 4072.620423 7267.725023 13415.01962 12966.84862 5304.159237 13471.82544 5488.245684 5727.191682 16116.44749 17488.25974 3289.570634 9147.477387 2411.921207 8048.873182 3713.11838 3295.976933 7106.327792 4176.065396 3198.210549 8253.852913 7954.408839 17216.31079 2694.542997 7054.567242 8689.310001 3398.269739 14129.39615 3284.17141 No_result_found_in_bank_inhouse +M281T47 M281.0731T0.79 281.0731029 281.0721913 281.0744273 0.788876515 0.769987258 0.8062 0 269 0 269 [M-H+NaCOOH]- 214.091 [M-H]- 282.079 16 Inf 69.98786335 0 1 0 0.22846898 0.139114381 1 1883.133878 430.2376767 0.22846898 1753.103255 243.8818736 0.139114381 0.608898331 0.908031564 8.92E-10 1259.61339 2265.739972 1006.126582 0.98418722 0.984412683 0.98450487 0.984532799 0.984973511 0.969943281 0.984261692 0.989714906 0.984709448 0.98888698 0.969943281 1853.150928 1377.913534 1502.319349 1908.087606 1617.265 1512.696247 2099.722463 1746.796381 1569.394707 1694.232922 1698.926088 1834.089268 2149.470023 1433.292893 1726.146451 1698.926088 1766.855024 2331.564863 2241.037275 1425.982708 1417.494936 1178.948224 1736.923472 1835.32016 1607.971516 1905.281699 2109.108795 2221.590904 2264.921906 1745.857748 2219.130803 1652.933061 2134.451892 2333.286408 2832.463709 1661.38076 1976.761515 1199.573227 1245.664178 1780.133208 1613.510467 1167.659698 2590.803348 2560.591364 1947.313637 1223.039057 1687.547607 1363.834036 1678.276158 1429.145751 1633.224717 2442.137902 1625.144295 2035.895406 1881.020928 1102.001203 1946.725252 1588.167371 1558.131108 2867.524419 1272.786616 1922.427401 1996.472812 1548.744776 1422.029295 1254.013952 873.3864662 1953.580695 1436.108793 2342.108387 1616.753206 1480.224553 2190.769884 2064.185084 2214.695054 1880.827515 2093.959087 1338.355092 2401.02372 2522.107402 1840.659701 1740.225949 1624.840176 1904.486758 2358.627547 2156.979088 1761.814512 1679.214791 2335.319396 2114.519357 2837.218855 1609.755934 2284.135199 1499.93585 4128.108804 1750.78911 1538.990858 1246.504887 2027.447707 1881.020928 1688.209363 1558.363803 2056.843915 2461.753444 1810.783208 1685.785223 2411.49869 1720.514652 2273.369605 1942.002966 1651.055795 1860.972134 2303.405867 1355.386338 1395.747565 2162.903995 1887.591361 2321.239898 1785.360367 2971.388803 1896.03906 1366.649936 1917.627623 No_result_found_in_bank_inhouse +M281T1091 M281.2393T18.19 281.2393269 281.2379489 281.2408694 18.19137693 18.18108535 18.20832932 0 86 0 86 [65][M+2]- 495 14.94992013 29.30360379 0 1 1 0.578176333 0.176644323 1 934.2043855 540.1348654 0.578176333 867.1406337 153.1754701 0.176644323 0.305519809 0.936199642 1.83E-11 530.8127153 1290.904851 760.092136 0.98418722 0.984412683 0.89678764 0.984532799 0.898770124 0.903641073 0.773844447 0.989714906 0.774891967 0.98888698 0.903641073 1774.520982 1003.359865 944.3461158 2228.718929 395.0604731 618.3959403 764.1842937 995.3657154 1234.444014 1122.222902 936.7271656 1485.353579 916.0401296 670.3894061 429.1805048 1099.000688 2092.156649 2802.938113 1242.81967 618.1476046 1435.276696 971.9464163 337.1304669 628.6152532 1270.493952 617.5705093 910.957756 566.6211098 517.0324104 995.8340646 1455.482821 1251.443464 347.1451408 625.1363756 788.4206415 2508.438042 722.8473532 1135.415015 385.5661686 577.4460971 1603.467045 282.8883166 821.2561032 874.188152 1378.621431 2174.165175 1064.246599 1111.12524 1439.024036 950.529892 869.9946881 1067.145316 392.5034736 692.9560214 453.8318825 812.7235477 1375.438107 1626.04936 2281.99315 1030.058226 790.9892527 524.2359123 279.2671322 289.5674861 389.2534759 819.3975592 1257.754334 515.3854646 631.6649905 848.7869349 560.0390468 722.8450701 1252.104787 1321.522315 652.0451618 599.2055656 402.0570772 285.3629286 1956.096631 1116.982323 413.2219665 1030.897359 1306.406014 1831.95858 255.7713352 1120.207618 1120.850184 2464.200179 870.7119062 683.8756392 1462.608552 532.0641139 987.372331 687.6555276 1219.223442 452.4069022 637.7201777 1498.274667 1241.337227 702.771286 1267.877357 823.9553093 784.1929258 2015.147184 1384.892406 437.0339764 653.4547401 307.587892 850.5235374 445.6557706 253.3323483 1078.480386 704.122702 296.9782747 703.4384676 756.3596859 1723.70612 427.1929453 791.8570055 856.9054288 483.8736035 1420.155395 445.7560862 No_result_found_in_bank_inhouse +M281T1143 M281.2486T19.06 281.2486334 281.2470333 281.2502479 19.05785762 19.02505255 19.2988679 0 415 6 338 [66][M]- [M+Cl]- 246.279 [M-H]- 282.256 1 30.8823345 47.10243551 0 0 0 0.242922141 0.077544447 1 29276.29074 7111.859224 0.242922141 28010.8372 2172.084871 0.077544447 0.319215228 0.94810158 1.99E-12 23160.13707 33887.50317 10727.3661 0.795903497 0.798776705 0.907981747 0.79954829 0.905542086 0.91798044 0.878882639 0.778535092 0.882245831 0.779756726 0.91798044 40371.73772 27246.89922 22916.66802 34868.91025 31915.12355 34617.32838 27712.0558 27129.0083 39789.46845 30927.14634 24486.71388 25818.11247 26865.03514 25493.91243 34721.44012 33423.35853 32879.81482 25452.90689 26563.34299 28574.3151 41698.64275 35818.86319 16419.29284 25217.0855 40232.90492 31487.27973 27920.92777 23434.97716 28306.63612 38657.97186 29468.73492 23201.44652 26525.45802 37847.50494 32923.56819 40187.99103 29409.9414 28929.40774 24632.30491 34136.04133 32759.58137 18633.17319 27395.49839 29363.81017 35380.4881 30500.43245 31886.10851 23171.97379 32958.20194 40947.26279 40124.36291 30289.95198 17361.67308 33074.81145 37825.04685 24400.07549 29142.12397 28821.7682 24719.93288 20350.28014 25223.53216 34382.57474 14066.18129 28149.02108 31311.57327 26126.93544 36643.4459 30248.72285 33146.57114 26675.25064 23327.27656 30578.59926 33633.51191 30722.4372 36233.67878 22952.84869 21592.28722 15662.02301 32854.40667 29226.6979 21615.04473 28323.29462 40190.83437 37388.08158 11131.02516 31298.75904 29791.80548 38022.38601 31546.0737 23422.35599 38990.98239 39836.88111 30208.33512 31512.7567 35061.01724 21141.29097 43821.52252 18765.15977 34193.49381 25208.15508 37393.14303 23193.49222 31314.79049 40816.8441 44928.8193 24418.79845 31726.24044 19373.83574 34804.73262 25142.19993 24857.04515 33737.21255 26845.81379 27144.38537 37135.64123 36745.25662 30078.84426 39401.19725 24442.14604 35531.94206 16417.59266 38441.41136 21898.23923 No_result_found_in_bank_inhouse +M282T1143 M282.252T19.06 282.2520251 282.2500727 282.254151 19.05680953 19.02505255 19.31487809 0 342 2 304 [66][M+1]- 1 25.87125936 46.66126302 0 0 0 0.250017128 0.110711053 1 5827.560817 1456.990017 0.250017128 5593.658502 619.2798211 0.110711053 0.442813873 0.918235391 2.57E-10 4202.595384 7508.071852 3305.476468 0.546137033 0.549625314 0.972894279 0.545916669 0.973088589 0.895228214 0.905114169 0.714738596 0.90300562 0.716152604 0.895228214 9394.857124 5991.441608 4018.141504 6429.860911 6752.770783 7434.604914 6844.23334 5275.19961 7556.610723 5517.382156 5938.625202 5246.859099 5036.881679 3892.955609 7946.936848 7318.292792 6602.603443 5103.86834 5727.207714 5178.103433 9965.658534 7578.139771 3430.649994 4815.093765 8390.947627 6509.97339 5793.058033 4203.401611 5568.910357 6441.025165 6106.907482 5295.81089 5753.123677 7786.766017 5884.929156 8656.737821 5889.673411 5554.740102 4981.160257 6753.648846 6024.934939 3907.125865 5706.345089 6746.329757 6712.758101 6164.061083 6833.761324 4360.574036 6104.803651 7943.652955 7790.104037 5385.895175 4362.792063 6331.527737 6711.548222 5094.652935 6371.462093 5988.865198 4830.768873 4370.879677 4695.507345 6997.324301 2662.719803 6361.156453 6051.987245 4781.817082 6248.77333 5546.954637 7644.208665 5073.79031 4920.241393 7068.381016 7465.148166 6192.026991 6878.824593 4666.551878 4510.499445 2697.954617 6377.903118 5983.712378 5038.169884 5395.002678 8390.947627 6067.445705 2369.994158 5934.760587 6279.999536 7092.856911 5901.267256 5189.786503 7816.808197 7925.037363 6576.733789 6331.527737 6153.755442 4338.591418 8066.325187 4560.245817 7257.747155 5079.392445 7081.609305 5209.814623 7171.735843 8092.194842 9157.023203 5034.305269 6111.080007 4224.024303 6067.445705 6138.618672 4926.096046 6787.029045 4749.611956 5437.513444 7599.121489 7407.900754 6531.199517 7242.288695 4678.234947 6501.62834 2751.60595 6904.778976 4504.853 No_result_found_in_bank_inhouse +M283T881 M283.1374T14.68 283.137376 283.1360158 283.1383614 14.67703782 14.61764626 14.80328156 0 326 6 310 [67][M]- [M-H-C2H4]- 312.173 20 3.978022727 20.65521691 0 1 1 0.160416037 0.100564181 1 2502.435418 401.4307721 0.160416037 2598.953547 261.3616344 0.100564181 0.626896056 0.870488298 3.22E-08 1905.721754 3361.512949 1455.791196 0.029267144 0.030023978 0.907981747 0.027048688 0.905542086 0.579868445 0.738597855 0.08055643 0.724842484 0.07396514 0.579868445 2749.798353 2057.745759 2297.388719 2457.711253 2353.742703 2711.529352 2891.465476 2737.626018 2699.18161 1810.4907 2154.981039 2917.074847 1746.126452 2356.686562 2356.953179 2590.918323 2863.273586 2508.102526 2698.644109 2449.3209 2478.981264 2736.216812 2504.693508 2760.987594 2072.027754 2843.23085 1774.521775 2565.358906 1974.835007 2238.067078 2406.328881 2529.994845 1977.009537 2606.545812 2285.73575 1807.792642 2072.404612 2781.971925 2860.601579 2509.552823 2415.670506 2342.019053 2837.794224 1775.880124 2571.668137 2825.493318 2747.250456 1891.985529 3231.132899 2560.00896 2341.471123 2316.095535 2057.587929 2859.445501 2284.652823 2448.69674 2268.5034 2433.628327 2702.861828 2205.261728 1838.360969 2339.811935 2648.116321 2194.574404 3203.276792 2753.956719 2810.878881 2736.822093 3154.995808 2902.834565 2418.696335 2198.152501 2167.827783 2568.841472 1940.849365 2347.623258 2630.957353 2767.534054 3188.173926 2286.225058 2415.336197 1964.933158 2652.744134 3201.095425 2716.516254 2669.648784 2423.955092 2522.472635 2493.256404 2448.398004 2694.363818 2451.583853 2485.783405 2714.747976 2407.640228 2934.330589 2424.201816 2079.551017 2103.130595 2083.51576 2416.945325 2735.93107 2800.207795 2534.397955 2483.96827 3184.90294 2330.431479 2921.263635 3464.589825 2486.445169 2190.837608 2721.365807 1712.279968 2336.093958 2000.681084 1904.796894 1716.394473 1032.274698 2352.880645 2731.033445 2355.350482 2725.571886 2221.688232 No_result_found_in_bank_inhouse +M283T1067 M283.2432T17.78 283.2431953 283.2416128 283.2446277 17.78356704 17.77291861 17.79986336 0 130 0 130 [M-H-CO2]- 328.24 76 10.95143441 29.34929628 0 1 1 0.535685584 0.172499413 1 865.0788212 463.4102537 0.535685584 837.3996096 144.4509414 0.172499413 0.322016157 0.934304457 2.50E-11 544.0832061 1153.705044 609.6218375 0.325371266 0.332892709 0.972894279 0.335809666 0.973088589 0.926511606 0.892520983 0.53149086 0.895093167 0.529415534 0.926511606 1149.925016 355.6330899 459.6349785 1295.480629 303.1833136 349.7063574 1051.862865 1368.24893 550.8578374 1541.361123 856.3736713 1420.917047 840.0325349 461.4509301 709.043676 631.6743201 641.3207693 922.5640343 441.2235064 826.5835379 1035.986014 364.1812224 266.0157644 894.1367147 1029.592235 1207.983578 1116.854629 272.793556 557.2545835 2697.976164 696.046146 1906.630295 780.2037747 669.4760097 325.6788417 771.3191133 527.966656 595.2848987 336.0768465 670.0452931 826.5715212 379.2603387 577.6398688 459.846394 732.2563082 1164.271653 483.7363332 953.5528099 2116.952497 663.1758653 554.7942793 260.6062136 275.52802 1221.262548 1127.012113 485.99176 1217.30329 2099.759719 1235.820259 1588.781363 1141.580195 829.8314391 744.7769912 975.0774338 644.6861826 2572.976638 882.9165688 684.1658257 384.9338835 555.6225272 424.3018688 484.7094895 578.7298531 1050.561716 842.6617709 453.334173 951.3701011 708.0248807 1268.567768 1296.983557 605.4827973 1160.991861 699.0646833 796.1913125 295.0523351 741.9971209 1504.559244 1740.039737 601.5960194 586.4534358 1073.393124 215.2764329 731.7207383 574.3910049 2583.822035 692.5184419 1649.966683 614.7473191 1479.496828 766.7238406 459.1531324 990.4118565 1910.184742 1468.346943 703.8825716 847.8396791 302.6506878 633.1360352 1005.796707 799.9386309 1247.641786 415.4138717 484.0578641 1308.497891 1212.658541 1047.87574 890.8149944 381.1768135 2233.664358 935.4198375 573.053399 798.0022847 1000.427141 No_result_found_in_bank_inhouse +M284T880 M284.1406T14.67 284.1406235 284.1386568 284.1421793 14.66752699 14.64083979 14.99856335 0 176 3 173 [67][M+1]- 20 3.123604249 14.3432853 8.48E-13 1 1 0.265738504 0.198241441 1 508.3562163 135.0898205 0.265738504 520.1648613 103.1182318 0.198241441 0.746001947 0.726694667 5.78E-05 342.9403007 755.5974865 412.6571859 0.47776427 0.478805493 0.858784823 0.478007891 0.860184011 0.896173123 0.97271443 0.396204525 0.973061143 0.397337428 0.896173123 460.0601181 598.2423173 410.7537877 470.4852035 281.9295364 601.0298063 296.2771516 594.7157112 474.8641672 423.5011394 502.9405847 537.8853931 246.8290461 406.2249596 555.9126733 588.888381 493.1606947 581.4010525 433.8129465 415.3026143 459.3552094 478.5281667 531.0028344 393.9733314 542.9103759 418.8309607 595.6534395 635.7018197 500.5407828 244.1999972 424.8501154 395.6234554 630.7309257 550.6760361 746.0593921 629.9342429 420.0141956 434.3680692 401.0220741 462.4107787 438.5210542 315.2604083 540.7180216 570.0957996 753.5972065 752.1007129 577.1311168 463.2852217 695.3312084 442.3164204 496.8270072 587.9821072 379.3256891 544.4591736 426.4449295 408.2818421 659.0050946 554.1777049 511.1177297 563.9778281 632.4543323 450.9714342 439.2870332 504.3184409 987.8335296 776.1298385 476.3227233 503.2608985 601.4506728 420.763941 506.9581325 384.5419308 457.0634681 543.9722529 681.3586424 498.6366607 539.1658593 463.3753097 382.9561283 550.3251644 360.4479926 339.4698307 523.5403025 415.1818626 630.8478628 372.9776304 338.4702494 639.6600607 567.8430943 372.0138939 379.3242533 761.7586015 645.5832723 496.3107403 612.9760007 501.774407 467.7735038 603.7596944 462.6862009 376.5321034 516.6035374 690.2353709 433.369717 478.7496174 492.9210805 483.4455748 583.9689824 1049.161531 598.842145 473.7611869 752.305653 465.5568374 492.2563773 620.351681 213.610945 432.6203491 477.4515166 264.6640558 434.3343872 415.76521 821.5612954 575.8981437 562.6997634 No_result_found_in_bank_inhouse +M285T880 M285.2071T14.66 285.2071024 285.205864 285.2091967 14.66038824 14.65030307 14.67649996 0 93 0 93 [M-H-H20]- 304.23 20 15.31430492 38.77717838 0 1 1 0.300771562 0.195357982 1 982.6088672 295.540804 0.300771562 998.262029 195.0184558 0.195357982 0.649522784 0.936400549 1.77E-11 701.4759604 1579.045732 877.5697715 0.879448725 0.877738614 0.745030178 0.868402233 0.72890136 0.222129973 0.49728049 0.502069794 0.465362799 0.474581163 0.222129973 1772.057257 987.7431677 861.5196058 1782.215473 701.3300228 1310.953961 822.3904399 895.5071054 692.4739973 609.8978602 828.9558153 1151.100574 921.4859528 1058.118892 650.6997212 1239.890155 1275.75514 986.2667605 815.9787545 840.6940644 809.4290706 1569.129731 1077.721731 956.7556614 1354.522077 1155.980037 1385.160055 1125.298077 974.9829984 776.4217972 1376.533394 582.5487103 711.7681209 1013.317195 1253.717776 531.1684535 623.106262 1090.370445 697.2896738 1412.095257 756.681834 677.3373516 934.2049546 1026.638362 832.1936649 889.9744809 998.1047708 858.0713802 1363.855248 1472.381802 1290.880894 991.7293771 3094.24724 723.0694166 791.1935988 966.2269349 1344.167611 977.7920742 1092.56924 1086.382819 1229.96425 860.8538368 881.9414175 933.5106368 1005.776439 1070.16846 791.6675287 809.0726548 1128.487065 1093.718547 1066.645147 1344.924752 988.8251239 929.0888821 940.2601976 1136.168969 963.8753073 1287.162325 1109.846709 660.6239977 744.4364095 889.2276955 1203.137439 906.8189053 991.1360118 715.2503783 922.5184507 1317.583071 849.0720151 577.1416661 856.4475315 1181.471213 1057.644686 831.9782798 907.9114809 717.461936 1550.756605 1017.362095 1860.299959 776.5188892 965.1516095 677.2772336 994.5447554 1086.81647 1846.332925 1061.045792 651.5503715 882.1675171 870.0663828 950.1454461 732.6222817 961.4878604 903.1345127 696.3490201 909.7792892 1371.85411 719.6521713 1036.464396 1120.909461 873.9283647 514.2009397 1122.408811 564.0223563 No_result_found_in_bank_inhouse +M290T55 M290.0057T0.91 290.0056552 290.0043279 290.0073662 0.909542136 0.894111327 0.926481948 0 99 0 99 [M+Cl]- 255.036 45 Inf 24.22400925 0 1 0 0.405960412 0.279693379 1 465.6116036 189.0198785 0.405960412 427.9577076 119.6969374 0.279693379 0.688967128 0.921187132 1.74E-10 132.5907531 724.8294504 592.2386972 0.321790432 0.325194372 0.977302209 0.289956503 0.975003761 0.071516555 0.878882639 0.538346554 0.87072035 0.505318217 0.071516555 509.9074974 499.7055531 267.0823446 420.107358 476.1345365 264.2110563 318.2087249 193.2823366 700.0591947 346.4939449 780.2006514 431.3496048 379.4933682 565.7043998 728.3444147 301.7090132 289.3277547 304.0661149 593.5691726 428.7506811 676.4518811 645.776385 480.4925866 327.7831959 631.3409279 413.0406049 228.6388616 246.4399882 365.3507582 615.2035348 386.6054011 374.7791649 299.3519116 427.4703622 500.677878 579.8470098 311.1374199 857.9850063 545.5902508 541.5914966 622.2748398 579.8470098 302.0447053 311.1374199 326.4904273 221.5675566 487.8275043 327.6371315 391.2788765 377.2154963 427.4379799 690.0239399 789.4042807 278.1379966 565.7043998 577.6568538 803.771668 730.7015164 683.5594831 146.1403033 339.4226399 416.1336938 879.1989213 419.5640965 502.0626548 695.3449914 455.6526721 354.4624568 593.9896198 471.2078152 582.6918283 332.3513349 294.6377082 573.8916765 371.1860019 518.7444796 538.6438041 367.2645105 254.5669799 348.8510465 353.5652499 956.9832763 366.8023422 454.9206215 503.1574696 355.9223515 89.5698633 219.2104549 367.7078599 630.0412076 563.9808257 789.629058 773.9463234 417.2069948 193.2823366 547.1897173 513.5957169 499.7055531 417.2069948 360.6365549 511.1009351 296.2269214 450.3757157 324.6024622 535.5711567 695.3449914 619.6377199 516.2052648 596.3467214 460.2213796 525.6336715 357.0736936 388.9217749 299.3519116 400.7072832 573.9345694 247.4956749 947.5548696 315.951026 571.5501072 1044.196038 447.8493165 355.9223515 No_result_found_in_bank_inhouse +M295T47 M294.9534T0.79 294.9534121 294.9526005 294.9542589 0.787120015 0.769987258 0.805966727 0 153 0 153 [M+Cl]- 259.984 [M-H]- 295.961 102 704.6701746 47.34339087 0 1 1 0.281440642 0.261168418 1 5183.202058 1458.763715 0.281440642 4334.660518 1132.076431 0.261168418 0.927969807 0.948438294 1.86E-12 1648.42206 6680.949095 5032.527035 0.345649325 0.343242505 0.828852751 0.335809666 0.82588821 0.701849189 0.386256165 0.89950894 0.368994878 0.8973999 0.701849189 3434.646986 4912.326569 3854.537084 4034.082565 4110.237383 4208.675239 4715.594314 4443.588264 6705.643835 7052.525365 2675.056152 4168.157751 6081.292822 2650.680544 7831.857678 3464.081459 4705.747497 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6421.955759 4057.646391 4868.558386 6980.435858 6601.173954 4036.420539 6476.698508 6894.586654 3203.321164 3178.045354 5543.114668 5916.185208 6003.018112 5757.255455 6134.332501 5973.913516 5926.398829 5971.537785 4076.210661 2391.320749 3670.489455 6817.585433 No_result_found_in_bank_inhouse +M295T880 M295.1374T14.67 295.137369 295.1357557 295.1387188 14.67092845 14.45203454 14.88798879 0 322 1 316 [M-H-CH4]- 312.173 20 3.968122562 26.81339443 5.79E-09 1 1 0.156463197 0.14695028 1 844.5190148 132.136145 0.156463197 864.165922 126.9894243 0.14695028 0.939200291 0.892030114 4.82E-09 624.4187606 1338.009038 713.590277 0.819778203 0.819878388 0.907981747 0.818415338 0.905542086 0.897437208 0.954973042 0.678594721 0.954931558 0.679778253 0.897437208 717.0865482 877.1982459 817.8838057 753.4626929 740.4649638 822.5209355 968.2547812 704.6239711 727.0082962 963.9186593 843.9189181 722.7183739 849.189548 728.6500196 738.6496473 814.999612 1055.282495 1042.171737 1040.681726 838.1475664 799.2440216 783.9565277 728.0572062 926.3689969 678.6683135 926.3905749 903.7026934 893.2153496 863.1868549 690.7240771 693.3252513 830.6196572 717.4979726 962.1293985 748.3444087 773.0856529 782.3507292 853.544128 722.875701 795.4978669 828.4476683 986.3315463 814.7006317 953.431119 828.8988775 1030.939797 999.9489493 600.5219713 946.3068801 752.0165911 1126.169154 908.67424 661.9485921 1078.828715 880.9373855 832.1586648 817.2681499 850.9479999 1273.652828 1098.986107 951.2754428 1025.123833 1107.267749 900.6424017 724.6274128 1038.764786 919.8083117 809.4969902 886.9687738 848.1497752 781.5174928 881.4315933 1239.253218 965.375959 786.0771694 970.2249105 716.4318239 963.0416437 796.0616139 829.0838576 973.5003279 1143.973143 768.1741848 961.2371016 1105.637718 1001.827164 803.4134894 657.1446799 1030.41818 889.3298704 947.6511171 678.9469015 804.0000745 982.8941615 766.527726 693.9089736 728.8706245 893.7154769 1165.236448 1121.681304 817.8043559 741.6208402 755.8183006 808.6527139 904.5628456 823.6308736 745.4377991 874.6094353 737.2308391 1247.441342 686.0797833 1040.980632 791.5423917 925.6789465 616.6530164 853.4942958 731.8408961 1025.911453 799.9223421 937.0501766 716.8573594 835.3218938 860.3915925 No_result_found_in_bank_inhouse +M295T910 M295.1371T15.16 295.1370846 295.1357233 295.1390753 15.16424727 14.9195435 15.18635975 0 90 0 90 [M-H-CH2]- 310.162 7 3.785383382 15.63493876 2.27E-06 1 1 0.210823485 0.162723678 1 375.3641614 79.13558073 0.210823485 373.2240673 60.7323929 0.162723678 0.771847964 0.841148295 2.63E-07 269.1839541 513.3218327 244.1378786 0.34740157 0.348584132 0.849490456 0.352726235 0.847427448 0.926511606 0.448317409 0.840052954 0.453405933 0.84094756 0.926511606 303.261171 327.7905255 375.6025847 279.4920273 296.048413 361.8004232 434.4045454 324.6720786 540.4569675 345.3958175 400.6320314 225.0472111 332.4063686 290.9266906 351.1450004 461.3562848 374.5422877 324.9723988 423.8322473 292.7459589 283.9628995 331.1041182 273.4960872 424.1212599 605.2377225 417.4873702 308.7321374 152.8494098 506.6704344 319.6102414 376.4740697 378.303676 270.0288476 295.6020894 381.8238159 294.1924235 267.2760997 415.7749254 395.8940602 360.2220926 335.0642314 403.1741901 378.80607 450.8589065 443.2704314 343.6505276 386.8640395 396.6058465 350.9845002 367.519841 496.7069978 511.9507984 359.4054533 283.0354929 301.616712 525.8092166 304.5586213 323.4713483 344.7912113 302.8639079 291.0209792 416.5735224 402.9820891 265.6176528 428.767791 430.5392034 374.386375 386.0937749 332.9460959 378.996909 349.6149195 341.7213594 262.3715459 411.6693954 329.5634793 291.1157617 457.8039406 439.7140369 561.4445885 268.330665 343.6303996 361.6702706 371.9634621 413.7779813 471.7058208 473.972775 503.7320992 355.3700393 423.7243191 248.1438662 266.456372 451.0116087 322.0346971 393.70002 399.6837178 443.3860842 471.542569 290.4142667 350.3541701 255.1781096 417.9953082 329.3745197 416.9981663 458.0926262 246.7616037 384.7485291 443.6288593 404.0344295 524.1076574 342.5201236 420.9093086 603.5697698 325.0177783 337.7820709 328.9325248 273.2182836 400.3451468 401.1050424 376.4333413 325.9271749 356.257647 266.7486362 356.1694761 No_result_found_in_bank_inhouse +M297T933 M297.153T15.55 297.1529788 297.1518519 297.1542995 15.55120048 15.38624037 15.73057781 0 440 5 326 [75][M]- [M-H+NaCOOH]- 230.177 30 3.858325381 21.42528763 5.46E-10 0 1 0.147886015 0.062137875 1 24227.87839 3582.964379 0.147886015 23932.15275 1487.093112 0.062137875 0.420174112 0.972440273 2.11E-15 20532.85714 27351.04387 6818.18673 0.004068403 0.00360048 0.748298881 0.003827838 0.72890136 0.964228078 0.010757706 0.494139541 0.011942388 0.49575664 0.964228078 21599.75556 26259.61103 27309.35864 22704.31494 29451.99966 23404.25678 23801.35254 28156.30198 18016.82537 17897.24349 22130.50059 21585.27266 19512.09382 16246.91676 19482.43227 27497.87641 16187.80216 25656.33827 26355.17436 27092.32241 28221.68593 26148.21482 26852.0323 20996.70489 25606.39937 25149.07303 23952.50677 29287.48884 21631.18548 13483.07296 22657.80718 28123.67583 17214.17667 25656.78278 22588.82066 19656.38301 18333.54819 25227.32915 29308.41734 28517.78536 22605.30738 21588.79989 24957.61607 18754.3104 23308.14073 26488.13402 24975.44405 19294.74469 27547.18797 22546.96367 23925.14373 23680.97797 22336.90361 27042.65501 16255.51329 22784.9284 22044.44731 18895.17562 24239.39915 27040.77396 26335.75934 26052.09877 25858.83735 24331.25101 27909.31425 25376.2131 26052.09877 23122.10968 23695.60741 28096.8901 20506.04799 21115.88878 23419.40993 27664.3679 20642.47076 22506.65695 28356.55845 25635.85429 26549.24257 20168.6076 23893.04793 26613.77029 29445.61524 24013.34797 28915.42673 21352.69714 27831.03038 24273.19253 25876.31472 19947.1797 27165.9597 26616.25945 17176.09214 24266.40598 24969.94564 28472.05272 27818.61865 21609.59348 18758.52912 23812.91527 18340.33648 26794.67273 27669.79381 18299.25462 21335.43644 28529.27945 22329.92744 29045.27523 24404.67043 25015.75078 27072.35264 28489.8807 23491.78312 27221.41113 27510.38355 19925.47608 18712.63396 24734.71409 18041.13653 20626.96818 25223.20492 27003.04598 26858.92704 No_result_found_in_bank_inhouse +M298T933 M298.1563T15.55 298.1562585 298.154803 298.1574576 15.5471476 15.53558531 15.71255328 0 322 0 319 [75][M+1]- 30 3.155651926 15.84455075 3.15E-07 0 1 0.165006484 0.090879278 1 4604.517338 759.7752187 0.165006484 4441.969174 403.682952 0.090879278 0.550761859 0.956761966 2.78E-13 3625.944956 5621.361603 1995.416647 0.005814671 0.005174395 0.745030178 0.005534194 0.72890136 0.926511606 0.012694146 0.532893557 0.01321581 0.531748237 0.926511606 3750.7402 4798.895232 3956.34556 4088.742951 4983.415168 4141.701907 4344.807755 4790.930979 4084.123269 4035.641531 3983.685823 3073.215137 4003.463672 2859.625708 3295.327817 5299.915879 2791.248521 4784.90335 4956.335265 5038.110124 5722.682515 5084.059806 5133.90353 3590.305715 4264.7536 4475.031809 4490.544745 5459.44535 4371.186648 2888.273537 4109.770772 5932.013409 2526.969996 5094.963121 4080.176061 4297.193786 4273.257191 4581.730642 5174.401555 4914.279623 4313.185857 4186.430221 4314.597323 3639.347986 4153.38403 5529.229667 4911.16439 4159.693406 5179.619003 4271.762874 4767.863685 4325.500638 3559.932196 5295.431232 3072.552492 4174.411851 3956.074461 4111.874936 4292.497612 4740.826236 4519.509602 4263.195984 5317.12697 4746.129695 5426.863065 4777.090745 4760.075603 3957.124368 4093.327663 5009.294221 3354.326836 4289.053932 3827.388106 5103.530011 3528.001061 4306.809242 4996.054482 4837.177613 5690.11252 4391.824993 4300.357576 5560.819171 5066.147218 4509.413738 5294.338015 4926.217593 5674.671265 4810.338015 4151.926361 3946.999862 4579.392105 5407.608599 3874.570701 4256.608501 4671.891569 4892.472994 4856.647818 4435.906481 4199.487525 4388.995899 3384.700355 5308.356563 5231.254553 3673.63819 3809.929622 5607.752721 3642.485863 5584.673532 5799.657113 4790.449122 4973.780292 5152.594926 4727.025287 6359.018521 4735.397911 4412.727154 3337.100044 5203.070627 4278.772147 4177.527084 4843.134063 5021.588324 5688.153114 No_result_found_in_bank_inhouse +M301T1041 M301.2173T17.36 301.2172636 301.2152251 301.2194123 17.35691961 17.33884563 17.368606 0 89 0 89 150 9.79110506 23.87108749 0 0 0 0.716928789 0.222656584 1 664.4825754 476.386688 0.716928789 630.4987349 140.3846942 0.222656584 0.310570013 0.959853012 1.25E-13 337.335088 1152.561551 815.2264627 0.641477391 0.644405388 0.917465563 0.650476614 0.917754402 0.973919844 0.97271443 0.629640707 0.973061143 0.633501536 0.973919844 562.6538231 164.2471541 173.2810687 680.89267 213.5213003 399.5657585 222.7602027 846.8993883 293.5917879 958.792762 588.2101206 689.8380472 715.501665 146.795894 379.8215438 604.634836 445.4342767 262.7954465 379.1797504 574.885428 865.3860432 287.442714 622.792547 294.5778168 585.078432 816.4596238 798.6517867 435.2412726 234.0521946 2071.567231 359.8130427 585.1304864 299.7510562 551.4415187 513.7274037 650.8293481 274.0874384 333.6270317 95.814238 348.6007382 339.7863 283.3263408 809.324521 636.4577221 629.9276498 344.9190236 305.7901213 576.9181287 1213.375851 385.2955528 732.8769906 185.5126736 267.0567059 897.2000792 373.6622755 519.8432062 1087.110851 2179.354426 829.4481281 1123.039916 905.4124369 648.2750571 351.0782919 1827.249589 581.0243076 2006.894914 513.7274037 286.4234136 315.1492269 214.0530849 192.6477764 343.8924789 450.653129 644.1978555 492.3220952 530.0362102 423.0096678 492.3220952 775.0412583 829.4481281 362.3702837 134.4773574 498.4378977 680.5991447 239.535595 259.7158124 963.9254855 805.8375997 463.9982103 394.4692564 1341.399332 396.2462592 400.5850589 330.5473976 2254.29219 464.8009843 1470.850483 629.2719091 1137.411542 732.9529251 198.7635788 326.1761294 1791.930111 960.1809808 429.1254702 520.4581695 434.2219722 647.7497139 760.6696324 674.7768676 402.4055275 423.0096678 369.5560967 674.4398765 1032.703981 549.4029179 676.4929659 507.1130882 2406.568254 667.6417648 257.662723 546.1217873 300.7776009 No_result_found_in_bank_inhouse +M303T1080 M303.2329T18 303.2329366 303.2315239 303.2342313 18.00364461 17.81646705 18.01591651 0 148 0 145 [82][M]- [M+Cl]- 268.264 [M-H]- 304.24 82 235.4496418 44.56442375 0 1 1 0.378772834 0.113468659 1 9980.666797 3780.405449 0.378772834 9888.409221 1122.024529 0.113468659 0.299569157 0.992437186 1.54E-21 7852.678354 13338.87988 5486.201524 0.919528832 0.916493726 0.79145929 0.916148009 0.798040708 0.87636963 0.448077924 0.990076385 0.440657879 0.990475666 0.87636963 11386.48327 6403.839205 5436.229628 17121.27615 7019.969331 6278.727189 7877.09995 11490.45782 8356.164083 8695.822072 4573.419397 10882.96646 9838.089885 4532.553027 7817.065654 13542.85919 11217.12918 14209.41276 12061.41415 4369.062962 7884.234422 9771.99001 13122.35471 6889.190518 17462.6391 8940.738285 10386.91347 15739.93129 14871.11523 6985.649599 10814.67741 23779.41179 9539.02491 10318.63194 7775.334114 19166.00531 7298.307762 7740.371942 5640.901255 5456.795302 16233.67798 5574.607001 9659.760636 12835.52566 13690.961 8988.514072 7774.614382 8708.981005 15889.3751 14673.8281 11341.54077 4892.503227 5063.544332 7400.537827 12825.02655 6044.681694 11535.71647 17904.44418 13445.26433 19172.80568 9844.988323 5854.952143 7498.071377 8520.544881 8922.662261 9586.894761 7507.856935 6348.12176 5885.167566 12122.91132 4714.93098 7089.56734 12784.43789 8974.886197 11014.34792 8252.765222 6864.744486 5902.325678 12964.16669 9643.19884 7863.588866 11517.92683 12828.55249 14288.35248 8039.038146 8234.663816 15722.5731 10594.96847 12307.02983 9153.722169 15444.01445 8665.664544 7319.182417 6751.028328 9008.115675 6383.501452 13248.51459 10935.14826 10493.39131 3688.221935 5909.094841 6375.355005 12097.42671 16728.05216 19874.82474 13100.13262 20586.78576 11189.18027 11860.92766 10553.49467 3802.411609 10878.46136 18475.69565 11705.30172 9941.096485 8154.88182 23018.07221 6153.179026 19271.45869 6723.921926 4638.142166 8081.487804 5907.369073 No_result_found_in_bank_inhouse +M304T54 M303.9211T0.9 303.9210867 303.9123239 303.9224321 0.899719674 0.771766427 0.910312829 0 120 0 119 [M-H-C2H4]- 332.96 45 Inf 28.81366051 0 1 1 0.264665348 0.234835532 1 1657.015646 438.5546229 0.264665348 1596.951053 375.0208509 0.234835532 0.887292327 0.948461297 1.85E-12 440.8938627 2502.331469 2061.437606 0.038416443 0.038126245 0.858784823 0.038833318 0.860184011 0.897437208 0.273659798 0.342666909 0.276708275 0.341741525 0.897437208 1639.891303 1841.60423 1184.037295 1274.993079 2845.571726 1596.846744 1220.992646 1329.800963 1891.884459 1379.565636 1562.815538 1541.902212 1585.600563 1211.60136 256.3710003 1782.789443 1929.01648 2703.138851 1994.745341 1373.332294 1418.020801 1355.467545 1384.122679 1220.842305 2206.827205 2028.512794 1738.487566 1664.031775 1784.360567 1032.976914 1622.003234 2090.497358 2221.615358 2019.965008 1348.567221 1747.879475 1875.529912 1563.431952 1650.970091 1448.003841 1497.096031 1513.782872 1257.728724 1418.105697 1367.121879 1437.303729 1901.491879 1534.29011 1795.392992 2017.476107 2321.998929 1479.735977 964.3701197 1523.896404 1238.915898 1973.563123 2014.014095 719.8297998 2449.544623 1545.484276 1765.359541 2142.504583 1430.074838 2066.166591 1676.418962 1512.053828 1908.586052 1508.79576 1832.036922 2193.194092 2231.417451 2353.672645 1635.069373 1984.884447 1101.42104 2015.428724 1678.196627 1440.804296 883.8949666 1456.006102 1597.380392 1268.719697 1159.32636 1211.792224 1931.138817 946.1426236 1455.216889 1177.319274 2887.397228 2902.712755 1504.82442 611.7393673 2032.015304 1357.024522 1586.452873 1673.935506 1858.289093 1278.324719 1406.943352 1486.023017 2942.834199 1350.067441 2159.86378 2346.327956 1550.130922 1795.048298 1841.638496 1103.058613 1656.103856 1351.857678 2103.990148 1553.942932 1701.97435 1603.848985 1594.755247 2820.870697 1464.565669 1873.72999 1347.539617 2128.450944 1578.665033 1480.008108 1175.273747 No_result_found_in_bank_inhouse +M304T1080 M304.2363T18 304.2363322 304.2349999 304.2375259 18.00319913 17.98640186 18.01607776 0 121 0 121 [82][M+1]- 1031 147.7649398 42.12699304 0 1 1 0.396184128 0.147638414 1 2223.523249 880.9246201 0.396184128 2202.18527 325.1271396 0.147638414 0.372651005 0.963053429 5.09E-14 1389.371976 3009.865053 1620.493078 0.98418722 0.984412683 0.745030178 0.984532799 0.72890136 0.843428085 0.322230751 0.989714906 0.309799935 0.98888698 0.843428085 2410.367536 1602.241955 823.3088276 3125.155998 1345.407973 1941.668913 1953.637288 2747.68639 1441.652205 2247.97153 607.2118667 3083.498876 2190.016026 1013.034379 1921.991443 2570.301785 2881.473311 3641.006286 2420.993493 819.1447923 2039.551397 2307.92947 2543.342026 1536.749139 3918.332191 1614.127783 2706.777725 3856.270449 3393.536575 1608.09899 2716.629214 5679.808067 2157.232757 1867.484577 2468.505681 4464.617038 2172.417008 1943.899181 1246.90106 951.4400873 3793.955552 1294.164747 2275.601894 2702.701944 3361.127456 2500.416889 1905.217268 1910.145015 3290.421708 3339.177635 2191.315783 1144.68161 1070.860046 2019.512511 2684.960079 1675.908787 3005.979922 3420.596454 3559.193928 4112.367595 2410.782713 1302.180583 1937.523542 2638.978144 2087.743062 2164.120547 1625.951669 1324.278942 1936.567435 2791.443194 1083.645242 1499.776432 3474.220569 2450.92401 1907.342842 2053.402896 1757.329481 1036.011207 2566.891136 2283.772997 1509.7419 2217.87459 3085.300658 2593.51015 1650.053886 1480.474345 3471.645389 1934.244391 2288.998502 2120.497907 3126.604098 2614.25346 1744.971718 1323.322106 2343.885881 1818.615401 3175.711608 2424.130823 1734.645483 862.768244 1591.237884 1173.094512 2700.94244 3903.303523 4731.348375 3051.935129 4581.989223 2709.313068 2664.745592 2003.802898 892.6632314 2576.420542 4548.494327 2805.071613 2070.351299 2153.557874 4923.765474 1280.482091 4106.912552 1323.870155 1041.147198 1614.898956 1005.272327 No_result_found_in_bank_inhouse +M306T54 M305.918T0.9 305.9179834 305.9167692 305.9197031 0.898518245 0.882251051 0.909343274 0 119 0 119 [M-2H+Na]- 284.95 [M-H]- 306.925 45 Inf 28.36751821 0 1 1 0.291225339 0.226720424 1 1100.282269 320.4300769 0.291225339 1075.451253 243.8267637 0.226720424 0.778505141 0.937477341 1.47E-11 517.1777662 1780.13642 1262.958654 4.83E-05 5.43E-05 0.907981747 5.84E-05 0.905542086 0.94309074 0.014202479 0.050187272 0.015064708 0.046960903 0.94309074 989.0615481 1051.749119 922.0411981 899.95331 1405.209779 1392.24853 687.7515089 515.1633824 1129.512955 1092.207249 843.5870099 798.458618 461.8513079 1003.519918 1559.645015 1644.807878 1362.393952 899.8899249 1429.769683 1058.69064 1223.92044 1155.136266 754.7189225 896.3629596 1935.984177 909.5133159 1135.33726 1088.806661 787.2691652 843.7002108 1365.813635 1020.519311 1486.268907 1554.281105 1185.982431 874.4976684 1161.92895 766.8762912 918.0977356 979.0344327 1122.476967 793.1659924 1260.149242 1181.873232 995.2704926 1090.288119 1311.544181 1645.194631 917.5591765 1435.946843 1602.465234 1009.198441 1011.834044 1096.057262 1177.221239 1429.557901 1001.638025 1023.63906 1617.101161 433.7537259 1258.875765 1392.466191 872.6982165 1059.93656 1115.16855 1117.897174 1144.821216 819.5206035 1193.739914 1000.232845 1456.626526 1317.785647 628.7618708 1376.486197 772.2231124 1296.639613 1028.363978 780.0497829 530.9382397 1372.51308 1299.358043 832.7416598 821.6941808 945.4198678 1399.208305 791.2800245 1132.710038 952.6801326 1106.484245 1432.527649 1073.550312 712.162446 1663.218913 1139.04535 895.5364554 1042.672022 1322.406342 1456.624368 1211.906526 715.9305491 1947.301992 766.998658 1284.239332 1585.705114 804.0242839 567.9159449 946.1428872 1046.428579 829.5309159 1156.934842 927.5163375 745.9749696 938.0174862 1065.91098 881.7574468 1748.029074 1127.302606 1209.89888 1061.934556 1778.165942 1186.142914 1322.98589 794.7339403 No_result_found_in_bank_inhouse +M307T880 M307.1373T14.67 307.1372893 307.1357516 307.1387208 14.67154173 14.64901806 14.71179433 0 73 0 73 [M+Cl]- 272.168 20 3.200947733 14.23382699 2.75E-06 1 1 0.263970644 0.238207171 1 230.7463856 60.91027198 0.263970644 234.6735092 55.90091275 0.238207171 0.902400235 0.755984997 1.93E-05 133.4008406 360.2832941 226.8824534 0.975939116 0.975977533 0.924153787 0.975955476 0.924071385 0.895228214 0.954973042 0.849414503 0.954931558 0.850205389 0.895228214 275.0850884 280.6023253 221.6027951 304.3119216 191.6102761 288.0934652 254.465679 492.5236736 227.6859061 222.3385633 176.3830737 255.2594079 244.9151881 316.3636215 305.3518302 253.8464533 336.435407 218.845029 329.673363 226.6491714 230.6107364 306.4854713 266.3995129 127.7939677 240.0775349 172.6301128 298.1701282 205.3803205 318.4082412 160.7370351 250.9056232 289.9144236 240.0804088 136.008694 228.7923163 193.6495427 198.0992557 224.9800299 221.6321591 223.5679254 295.0824427 279.169397 218.2710049 290.2422395 241.8512378 254.1135927 198.2916558 137.8766035 184.7508383 165.2871488 352.3420714 214.4141305 156.2290568 354.3284712 280.5230849 258.0588017 199.2307183 347.2852767 296.5569179 319.9801719 174.1380156 177.8766559 233.4292762 223.2806396 178.9715946 293.7779219 220.0385629 275.8327407 212.8831066 259.6747244 247.8092495 241.6408948 287.9479991 223.0229093 188.0535583 206.2615523 243.8664081 300.5366469 238.4673855 116.4715938 326.3579426 225.4813842 198.1350756 237.6385122 342.7394574 289.5159624 182.0912728 249.2851562 324.899676 161.5796532 290.897684 194.7972032 230.9369487 243.6415801 258.5097137 152.3146234 319.2162704 146.5493199 179.740645 375.243041 140.2742003 290.8013049 276.3420165 261.3645234 215.02061 188.3596921 248.683854 209.2838917 210.2144835 260.9399931 357.4547005 138.4027263 211.3227505 149.5597965 121.9134257 115.5237726 243.5232024 246.3550168 186.9247609 139.6307926 327.2730668 293.2069762 251.9786782 No_result_found_in_bank_inhouse +M309T879 M309.207T14.65 309.2070344 309.2048368 309.2087242 14.64539154 14.60440885 14.67959668 0 116 0 116 971 4.189175802 19.4086178 0 0 1 0.471035996 0.206063391 1 392.1466168 184.7151724 0.471035996 369.3334535 76.10610382 0.206063391 0.437468458 0.942151328 6.39E-12 205.5619959 511.2935696 305.7315737 0.921757144 0.919762651 0.828852751 0.920428816 0.82588821 0.897437208 0.793609926 0.599710446 0.792893059 0.600927745 0.897437208 570.6489694 303.9467417 361.3587567 775.2360313 278.953564 185.7744585 432.0355441 286.5048519 422.4543688 292.4004093 332.2848521 202.1023147 283.3062656 410.2388182 383.0886574 486.5702007 265.7280228 326.158562 445.2316135 257.8894381 282.1890508 341.7622949 1769.952435 141.8783839 385.6583694 504.8048576 369.1996598 384.874511 359.0378979 206.5054412 303.3532296 385.0343416 395.8570463 315.1111067 313.5433898 311.2975432 425.5018031 343.1129127 419.3642838 496.1824143 291.2992875 525.4271383 230.4543915 300.9229768 349.6008796 533.3633725 398.9839635 162.1230715 424.0261584 167.7457135 269.6473152 278.2697584 1042.531771 661.1627421 265.0060455 336.2752856 332.0754104 318.7143837 499.1337471 498.5633647 284.2122234 493.8308389 566.6196214 246.0356375 240.044652 348.4655013 273.5666076 282.9729093 287.8278891 308.8402389 348.8170211 353.622367 447.4564004 637.2769398 369.9812 417.0127084 458.5572076 369.1973415 670.6773564 530.9961185 686.4010821 354.2184021 235.9414008 548.6011836 383.306794 289.0107503 392.6529118 605.7747531 261.7454421 245.3477025 464.0442169 275.3572471 257.1055796 355.7330058 305.5559719 499.3178482 471.8828016 533.6767042 564.7639749 258.3418804 128.5527898 443.6638966 325.3012669 445.2316135 445.2316135 380.6739067 312.7595313 335.9470642 424.6954152 466.3957923 454.5533157 420.9320008 456.343911 303.5015435 403.2743949 252.4024288 404.4486807 372.6578021 182.6390246 448.3670474 207.967635 626.0607474 220.3527962 No_result_found_in_bank_inhouse +M309T1222 M309.2799T20.37 309.2798673 309.2780146 309.2823839 20.36816999 20.34426996 20.39994814 0 122 0 122 11 4.338310539 24.46812097 0 1 1 0.472581668 0.219493109 1 390.8792138 184.7223509 0.472581668 388.2082171 85.20902861 0.219493109 0.464455403 0.952393218 7.87E-13 220.5624985 654.722343 434.1598445 0.832271597 0.831096638 0.79145929 0.832691108 0.799360927 0.970545484 0.548745815 0.661053309 0.553480231 0.664983443 0.970545484 791.9439958 346.6878111 138.3796109 425.8231257 248.275181 411.7924228 327.5430633 777.3540514 297.074439 338.8975933 354.3605424 782.6161526 514.4106133 178.9114235 248.3978694 494.5739023 473.9809953 1029.295827 354.9680164 376.6165393 536.0014772 357.5898764 343.4131657 272.5030558 551.0777592 677.2257462 366.3309091 143.5562298 345.9134863 350.2972989 317.1045491 605.1643583 439.4719499 253.1319235 510.7902075 827.15179 298.9380108 471.7405821 308.4372615 387.5286178 441.6840017 112.4849832 264.1952137 375.4109366 557.9614127 715.6877357 696.0981122 485.1830969 473.2140328 663.9056022 396.8621402 300.7660906 188.3558022 287.5251866 252.1364534 491.5426201 440.0363215 597.6698211 701.0738489 743.4278404 743.6028133 457.4934996 154.4827659 275.6173458 293.1906998 604.0058813 401.0960413 426.1217221 272.6815135 214.6448773 278.8384908 235.8205177 670.9535153 407.0488826 720.5044771 235.7435811 262.6621724 133.4876558 392.2300395 544.6076162 183.3039578 341.5314984 776.4572968 455.5636677 132.5039823 427.1317972 426.2927914 458.193251 290.0725351 286.1236645 412.0512493 188.9861698 468.4669986 223.7504108 271.370172 217.9161804 694.7970675 620.9909052 481.2567624 227.3617426 400.4252809 253.283152 290.6784075 492.1459211 984.7531585 376.738488 445.2364099 284.6778939 347.5650889 252.3189659 266.961361 535.0865156 306.1547309 362.8440973 336.8890729 477.642336 623.5040907 726.6475118 462.2601454 447.6307448 168.3216384 612.6490716 148.1359854 No_result_found_in_bank_inhouse +M311T47 M310.9309T0.79 310.9309034 310.9295637 310.931979 0.788863889 0.769987258 0.806396541 0 282 0 282 [M-H-NH3]- 328.97 16 204.0957063 49.74700848 0 1 0 0.326378719 0.249591146 1 1973.82158 644.2133588 0.326378719 1826.541518 455.8885914 0.249591146 0.764728617 0.868333862 3.82E-08 965.1305435 2714.299284 1749.16874 0.890407325 0.892301966 0.946954697 0.893760831 0.94468685 0.895228214 0.91677177 0.959743454 0.917180308 0.95968996 0.895228214 1550.627554 1932.54505 1556.125272 1398.781146 1311.64266 2018.512786 1679.38274 1349.83525 2729.133354 2423.592635 1369.477153 5372.060577 2354.845973 1103.22024 1827.788232 1665.196921 2408.787264 1815.784847 2314.544956 1699.924796 1877.997081 1349.303199 1963.639832 2096.84452 2655.016948 3445.531857 1578.990789 2285.601672 1145.777698 1361.838635 2750.435661 2986.660532 2067.85594 2744.885386 1916.612297 1876.892991 1690.294908 1678.291523 2256.273115 2338.169616 1667.379354 1900.899761 2113.347642 1717.57533 1491.466916 2753.140125 1816.160536 1999.109278 2197.710746 2669.110793 2092.419688 2210.931123 2461.153008 1493.875875 983.1863864 2536.43436 1534.250898 1787.413209 1604.088777 3200.539036 1378.206888 1229.99003 2248.997938 1584.446874 1092.308072 1187.243938 1406.968305 1998.301746 2291.555396 1262.039135 1858.918685 3557.366947 1945.639653 3041.569033 2053.911775 2445.227104 2649.39282 2046.573459 1833.244316 1133.774312 1480.781272 1373.84202 1253.229908 1468.777887 2695.176226 2746.592824 2366.849359 1783.048341 2427.957502 2611.566065 1511.52596 809.6829064 1948.11825 1836.517967 1015.922892 2889.825634 1841.064736 1512.426561 1318.189961 1138.13918 2022.050593 2558.351518 1503.203915 2645.827635 2464.919778 2737.863089 2087.57754 2291.555396 3569.370333 1268.630929 1193.791239 1934.968409 1965.281556 1843.065268 2025.298483 2216.110858 2329.747985 2495.612947 2109.042444 1357.234307 875.1559177 1312.733877 2669.116427 No_result_found_in_bank_inhouse +M311T880 M311.1686T14.67 311.1686405 311.1671106 311.1699083 14.66951353 14.46136254 14.69181595 0 270 0 266 [104][M]- [M-H]- 312.173 20 4.50807033 20.1360082 1.22E-06 0 1 0.159086656 0.112783061 1 981.1672947 156.0906236 0.159086656 977.597242 110.2564091 0.112783061 0.70894105 0.892038406 4.82E-09 740.3589345 1335.530597 595.1716629 0.192698195 0.192904964 0.87036886 0.193300159 0.870403889 0.896173123 0.444507952 0.611067583 0.440657879 0.60997047 0.896173123 1030.646272 1084.649031 1461.301713 916.710731 881.3574684 873.854243 700.6945455 1210.327695 1037.300941 826.9995049 803.9038299 897.464276 884.254751 634.5940712 710.7088615 999.0514889 1128.902611 923.9644114 838.3147164 983.6086635 1079.774441 928.2088131 1143.536533 1062.004678 763.0545423 975.2464219 914.0861397 973.1558615 971.9875121 871.876997 907.3032092 1142.531295 838.7319779 828.9071946 908.3484894 853.2220426 1113.87169 1009.897477 1204.162785 772.4620641 905.2097372 791.4466883 1014.967069 794.4473386 1002.423707 938.7396012 1066.185799 581.1275625 1019.925743 1054.687717 919.8465716 913.5748904 976.2917021 925.6644244 666.5871496 905.2126489 995.1482473 1072.21432 629.4676793 1129.958082 775.5234538 868.627842 1087.432945 882.2925559 1052.99409 1325.266857 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1531.341654 815.986606 0.939074556 0.935974473 0.715391897 0.931385742 0.695696123 0.507044165 0.308320103 0.505346476 0.281762159 0.498017119 0.507044165 1167.33519 687.0579436 1171.357709 1296.055817 554.2033061 875.3002664 1539.404603 1029.748922 889.1849418 563.7145473 955.9412226 690.6687143 728.5611302 998.2286827 641.8394073 780.1822153 436.0411254 1327.827496 1234.109015 601.7689331 798.0678899 1036.201051 1751.405037 479.4843371 1409.49087 907.4804232 1068.823466 1313.754904 1153.149383 847.7785739 708.7679547 660.624119 575.3698976 788.4138429 1354.784603 1120.733313 874.0043411 930.0500678 691.8733723 1905.86979 1062.149757 898.2019424 1083.666782 931.5976753 323.4105764 2719.501017 906.6759193 769.6562331 2085.879637 1445.693547 1230.086496 855.1876684 4277.54735 1276.137895 912.9313241 876.9092742 690.4101059 774.8314329 1094.763166 1239.973893 891.2955739 805.3084252 979.064856 1025.03598 853.9927978 1506.809255 1226.86848 397.4249371 768.211991 1537.406994 382.9438665 534.9152114 1162.635463 1643.601511 1464.197137 827.834535 419.146543 977.4722644 1488.313972 739.4757979 1157.449406 1014.144826 1167.33519 1335.379774 683.0238292 1142.594789 1656.905699 1300.694549 964.5561247 694.2868841 1139.982056 1065.565733 436.0411254 1623.335994 532.9132848 992.7578389 1552.692568 1030.655778 2505.359794 488.8054492 479.4843371 428.8005901 1045.050594 669.3472625 657.2797037 827.4230021 891.3903448 238.9359217 1443.85813 886.5633213 1052.906801 878.5182821 1020.138706 1044.821095 1492.434568 1994.365221 933.1950944 804.5640567 522.1230449 632.3400822 887.0352955 2131.46979 1064.42584 No_result_found_in_bank_inhouse +M312T880 M312.172T14.67 312.1719665 312.1695395 312.1752234 14.67266548 14.47764761 14.69455216 0 91 0 90 [104][M+1]- 20 3.086229934 14.52575926 4.50E-06 1 1 0.255715396 0.221767126 1 244.543892 62.53363825 0.255715396 234.7176084 52.05264945 0.221767126 0.867241978 0.734174731 4.43E-05 116.9370109 356.549847 239.612836 0.191184739 0.185421477 0.787240672 0.181679153 0.793198186 0.895228214 0.157056109 0.913996348 0.154524572 0.913037985 0.895228214 233.6324351 307.4903271 166.0556028 335.8107772 278.6495267 182.5451196 320.6586262 281.4550721 222.5742466 336.0298424 193.1320396 151.3123408 343.4739398 276.6678596 137.5045933 227.4115827 166.5531594 320.8930233 238.2478389 257.1811542 255.2564809 170.3383055 287.5413993 172.2418685 208.5653072 301.3773431 435.9471466 241.0557555 222.3555003 162.2432774 188.7476993 191.5714615 287.8443794 260.2121773 163.2308674 142.4268358 204.3546915 291.8696931 201.6579996 163.7670443 245.7031259 245.2640104 295.5457434 240.4731513 188.8751375 250.249707 149.1463688 141.3690769 244.1712163 241.3283265 188.4800471 402.635956 147.6044682 387.0280642 157.1905102 165.1518139 178.374345 311.4594917 315.558261 280.6195122 214.9678372 166.5150948 222.5421487 360.0290319 186.7112374 262.2894513 183.6059218 168.7699301 156.5815312 264.0291385 191.5354858 256.1905268 316.4506044 299.1667107 235.2651807 155.9653522 250.7084877 342.8011647 298.5394619 258.0609166 365.2284948 327.0860937 237.7582202 203.7971248 295.5370674 232.7381524 304.2122383 252.143204 251.0545672 166.7377826 252.6139385 226.4885963 159.8898563 302.0598261 308.700335 207.8870219 269.9152812 207.661349 177.5710983 289.4731717 268.9512302 182.0924463 186.3021318 160.8609764 170.46748 221.8832278 287.4701605 184.0711189 365.5526893 346.3773287 321.6759378 157.5646311 285.2813188 327.1769411 285.8022498 176.7057663 235.1906084 200.4064926 188.5791001 244.5624242 256.6086894 295.2482715 260.3389302 No_result_found_in_bank_inhouse +M317T48 M316.9478T0.81 316.9478459 316.9473282 316.9482566 0.805941667 0.7871 0.823266667 0 228 0 228 [110][M]- 16 7989.711258 339.4465152 0 0 1 0.03666657 0.032772209 1 297238.5257 10898.71724 0.03666657 296824.4566 9727.593177 0.032772209 0.893789877 0.771695601 1.01E-05 264755.4801 311288.6982 46533.21803 0.527638918 0.527583 0.946954697 0.531247925 0.946617264 0.926511606 0.982688928 0.595091994 0.983068723 0.599350849 0.926511606 297046.379 297393.8508 319791.7685 301634.9394 282984.243 285283.4623 290230.5052 277568.3056 306630.7329 304132.5253 293607.2005 285132.2112 299877.1799 291638.306 324216.7369 280856.3459 304271.8785 309194.6898 282079.8575 284056.0275 282837.7985 297733.7425 292921.1753 303384.034 302905.3344 302048.1758 295520.4381 300955.7588 284581.5733 290629.3223 285842.968 302127.5882 306361.0953 298536.6894 290484.7172 305506.7299 306792.7208 290958.8353 309232.7607 303080.2439 277567.8604 287529.1366 301674.831 307741.2187 301604.2535 305827.1267 305418.5071 292128.313 291961.1361 302742.6993 311427.8233 307753.7018 304490.771 308844.6288 287742.693 288586.2847 296114.9375 276689.3488 284145.7428 301107.9239 282133.5429 301425.2526 293876.5603 301261.151 280792.1749 283741.1391 305322.3581 292454.75 308617.9895 301285.1205 285499.2862 306043.9272 296828.4967 292438.3842 293774.2424 280594.6614 306780.9597 312673.6696 277311.5962 283787.1966 302610.3889 279507.9458 306540.5871 289792.5422 296878.6296 304070.0862 300804.9589 292577.1105 302410.8571 297705.1023 298591.924 287852.9555 308592.4489 304961.0991 296107.862 297988.4352 298748.4219 294529.7698 274422.1927 289094.7994 304076.5118 292466.0015 325427.7399 299360.0936 284895.7975 297231.1878 280651.9417 295595.7587 301557.644 302496.1895 286277.1672 313854.0527 291095.8957 308054.1425 300221.6319 297777.7256 298150.7761 304120.2254 297175.2597 291846.147 282862.6699 291176.7802 302385.129 No_result_found_in_bank_inhouse +M318T48 M317.9513T0.81 317.9512997 317.9507757 317.9517431 0.805883333 0.7871 0.823266667 0 300 0 300 [110][M+1]- 16 Inf 278.1522423 0 1 1 0.057000689 0.04771236 1 17482.67865 996.5247272 0.057000689 17588.69578 839.1981778 0.04771236 0.837048823 0.768350043 1.16E-05 15690.84941 19941.54641 4250.697003 0.431394986 0.421197359 0.74917679 0.425770429 0.735276384 0.897437208 0.327015996 0.615416468 0.321866825 0.618634872 0.897437208 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16318.78722 16668.39917 17606.30369 19248.29362 16425.98052 15988.60552 18552.30433 18360.65365 16950.06301 19157.35893 16777.06895 17540.59256 17966.83068 16434.26071 16395.66416 18405.90033 18379.70568 18374.39745 17749.60075 19431.37907 16493.38255 17400.71501 17513.20224 17657.38538 16584.6983 15835.26941 17974.66592 17903.33578 19280.78131 17876.81648 17710.09726 17875.00527 18739.29808 16889.21673 17365.03923 19178.05616 17200.16138 17973.67339 17491.5269 No_result_found_in_bank_inhouse +M319T48 M318.9523T0.81 318.9523352 318.9518306 318.9577016 0.805883333 0.787083333 0.867858918 0 293 0 293 [110][M+2]- 16 Inf 190.3586642 0 1 1 0.09156 0.061325066 1 6403.505001 586.3049172 0.09156 6486.570728 397.7893765 0.061325066 0.669780099 0.797561226 3.05E-06 5534.180215 7151.511232 1617.331017 0.950399219 0.950999255 0.953085681 0.949728952 0.950289642 0.83326941 0.944531655 0.983191496 0.941389658 0.981945219 0.83326941 6597.821067 6044.963945 6620.948507 6023.847787 6495.921516 6473.792601 6402.848884 6505.39495 6809.259265 6368.740811 6532.079533 5783.009158 6703.330302 5772.240939 6116.639477 5462.847289 6564.266416 5302.28426 6227.070373 7010.725062 7249.188064 6629.547895 6160.962847 6199.445978 6520.173905 6476.090433 5959.068999 6302.967831 5202.0801 6068.221035 6179.488447 6898.073423 6533.138235 6796.664515 6593.676209 6797.313955 7470.989798 5922.262089 6164.767147 6616.21039 6342.289152 5699.8706 6292.173948 6112.040831 6108.173128 5881.802457 5690.764797 7212.813321 6355.211606 6352.868331 6869.370039 6650.144046 6047.065404 6063.072569 5525.621916 6590.434235 6567.610491 6224.404581 7409.777861 6877.158433 6001.799643 7028.808568 6760.957269 6540.055305 6356.67559 6225.048104 6863.915634 5833.329449 6696.525381 6633.231954 6716.106883 6850.909729 6125.109249 7305.740406 5687.284621 6017.90527 7371.680841 6477.970013 6400.388161 6630.324562 6439.62678 6510.816782 5809.995661 7143.711423 6234.177225 5954.507021 6478.998413 6492.582668 6304.700412 7371.337063 6257.511064 6146.811083 6204.853209 6717.563033 6465.682775 7201.51901 5893.17614 6050.514261 6504.453045 6282.788401 6412.645998 5955.335508 5815.240304 7226.510259 5709.115876 6415.835401 5907.995517 6430.445758 6932.631141 5864.893015 5473.840902 7188.50967 7141.943776 6358.694735 5880.270336 6263.918734 6835.971523 7563.535626 6439.289913 6280.312728 5787.191887 6271.779636 7105.117204 No_result_found_in_bank_inhouse +M321T1076 M321.2052T17.93 321.2051631 321.2039911 321.2071032 17.9254758 17.90774998 18.05741858 0 101 0 97 414 6.862232507 26.23108738 0 1 1 0.533406236 0.175060609 1 986.3172679 526.1077818 0.533406236 963.1140497 168.6033325 0.175060609 0.328193781 0.967595303 1.23E-14 607.1341768 1359.069023 751.9348458 0.482189628 0.478805493 0.787240672 0.481570469 0.79517269 0.966714196 0.448249018 0.584402707 0.448648926 0.582994349 0.966714196 1287.578786 506.8200883 496.4959913 1094.300378 817.7480949 909.7122193 863.9915424 1422.532549 638.5782149 945.2392215 753.4178732 2824.093365 1347.017972 474.8142642 556.6117648 839.5635346 596.4176983 1379.703918 524.8172211 742.8339397 888.0948192 1578.850316 492.4412869 927.7543554 2205.686362 1352.336555 1311.56642 578.2010898 1239.578101 1047.428802 1069.979397 2138.85518 572.6722002 1001.410242 768.0358369 1442.326553 517.839318 1767.067009 1409.484539 1609.46352 1064.300841 453.4934397 693.1432266 1382.228972 934.8820371 1745.088907 516.8766888 1800.899059 1583.69501 2318.548077 1816.522881 712.4782013 550.8425717 821.1375338 782.1145929 586.3893354 1335.537467 1986.258457 3230.498389 1914.747433 1376.284838 716.5900948 383.2811328 953.9404227 975.3125735 1658.313354 1415.628432 763.8111567 710.1757317 1006.113248 536.4883593 454.74055 952.0131834 654.0351429 992.0346545 658.2235997 339.1689246 443.382371 1480.383689 1546.586745 393.1999906 1843.397294 1931.741993 984.597094 405.0449483 747.3851799 2004.960902 1357.073973 1257.276498 872.931438 920.8106232 1862.827205 606.1940471 514.6756598 850.1265235 554.5430332 1630.855304 2613.768928 1120.633289 720.7925042 829.3783679 800.151878 1022.076323 1784.279856 1054.111243 1092.153543 798.1750922 1003.494534 1298.204229 443.1114414 1119.193296 869.7233462 886.9604744 1305.251385 2022.405314 1820.840904 1225.39656 1553.922032 778.2262534 744.3088864 509.3579048 2320.991515 1411.473313 No_result_found_in_bank_inhouse +M321T880 M321.2102T14.67 321.2102495 321.2080391 321.2129874 14.6714269 14.65135857 14.69104699 0 164 0 164 [2M-H+Cl]2- 304.23 20 5.378941233 12.04399998 3.89E-06 1 1 0.256657637 0.220942838 1 420.3361592 107.8824854 0.256657637 447.6756738 98.91073395 0.220942838 0.860846538 0.83073969 5.03E-07 256.3062353 677.9664757 421.6602405 0.690929999 0.675476201 0.715391897 0.663023274 0.695696123 0.467466065 0.497794523 0.140155645 0.470387514 0.128009974 0.467466065 412.8206979 400.0063301 386.1952355 433.1543489 371.1052705 457.9282221 535.440247 502.5479595 290.8309981 420.5025953 482.6579563 373.3421377 283.6744373 509.0327253 336.1086343 512.4212504 612.3790571 753.7740382 514.4145431 545.924636 441.8637184 419.9961151 661.7317747 559.635502 435.2205282 365.0772655 369.5422065 362.9088533 322.614649 216.8958824 421.5011614 327.6290137 495.9044026 346.3815779 345.9915267 368.3199465 373.1039266 457.6362811 474.9338501 396.6857966 254.7778035 235.3042655 521.6047705 190.5035535 430.5761743 297.7341981 439.3822955 377.0597461 290.8021177 339.216472 243.0586604 445.9151766 1254.817218 522.4336232 362.850707 320.4506523 406.572875 338.3767766 583.4454259 316.6726816 335.5851329 322.4614664 300.3357593 546.1230126 558.90317 429.4597292 401.8221723 309.5730738 428.3282987 454.8035119 323.116231 366.4172127 310.1367434 366.1800419 351.003891 644.7049579 521.5416185 412.6337828 305.7429786 322.7302215 575.7704134 489.3866039 436.2155994 487.145897 386.1455953 392.7334237 447.5521603 505.4127065 308.6425389 360.1462854 489.2984138 553.7811233 483.9122589 490.6204987 475.397245 305.191785 554.7300011 305.5213326 484.3110756 385.0341958 537.1536961 354.6825095 284.179716 374.8865069 259.9587684 372.3443103 544.4839581 484.07319 447.1448027 434.6333841 564.5776737 419.4938581 368.006854 395.7395459 452.8024618 419.8707765 653.8330917 324.2958055 384.6464909 614.3102848 333.9429915 385.1202622 276.9356118 No_result_found_in_bank_inhouse +M323T48 M322.9042T0.81 322.9042136 322.9030836 322.9051549 0.806069915 0.7871 0.823496938 0 78 0 78 16 Inf 38.51627266 0 0 0 0.418368422 0.132285398 1 3094.192707 1294.512521 0.418368422 2887.242575 381.9400323 0.132285398 0.316193552 0.925375816 9.72E-11 1909.137785 3666.719401 1757.581616 0.061492903 0.054914786 0.715391897 0.033344632 0.695696123 0.004499537 0.111794976 0.174651446 0.070626021 0.133501766 0.004499537 2517.371384 4399.848645 2412.822573 2613.720289 4390.7824 2802.318145 3465.118797 1639.177076 1359.936734 2310.985823 2812.349165 2319.145443 1846.794084 2802.376296 2705.367475 2656.409753 2567.595813 2298.29308 5134.166638 2278.549099 5322.764494 2139.150683 4073.303697 968.6139894 3284.062669 2192.450078 2973.728324 2285.724017 4237.562862 2810.535916 1843.954039 3337.284744 1660.029439 3335.312086 1542.607465 3670.922556 2286.506961 3070.737144 1929.028072 4112.253254 3961.042393 1660.029439 3830.381459 2638.277263 2641.394974 1504.996652 2772.593483 2394.395276 3082.523263 1556.957301 2369.773062 2031.526907 7173.893452 2802.376296 2741.632455 1995.652315 3980.988131 2439.7265 1861.300076 2567.560553 4076.183703 4780.545658 2596.572537 2805.096169 5010.913551 4686.341984 2494.82164 1669.70602 2514.069708 2825.892877 6700.348835 2990.954189 2835.921402 2157.600474 3059.59022 2029.47693 2614.745277 2494.82164 2824.135283 3016.339675 4994.59431 3827.768593 2504.046536 3291.95352 3345.56197 2418.874137 2281.973839 2907.544736 2380.795908 3395.786399 4328.525796 2350.8773 3161.064067 2729.846337 1809.62248 3283.03768 1719.930449 3113.348495 3690.868295 3369.016601 5229.490554 1787.57968 2756.193669 1967.977629 2522.496326 3204.917569 4715.971392 3240.275924 4879.453 3279.962715 3190.411577 2168.875346 1994.573876 2307.359325 2655.503128 3234.863228 1659.122815 4952.889584 2916.091852 2813.593017 4087.063197 1884.872313 2073.450206 No_result_found_in_bank_inhouse +M326T910 M326.1877T15.17 326.1877206 326.1867453 326.1884097 15.17098809 15.15135225 15.18380885 0 68 0 68 [125][M]- [M-H+NH3]- 310.162 7 4.905609762 60.24697621 0 1 1 0.087588138 0.066423804 1 2859.241133 250.4356057 0.087588138 2884.220112 191.5808713 0.066423804 0.758365297 0.770861449 1.04E-05 2539.157355 3359.145175 819.9878197 0.479069688 0.480456811 0.907981747 0.474481204 0.905542086 0.765470316 0.643592366 0.902843964 0.642958223 0.905553463 0.765470316 2739.772337 3005.157804 2798.626685 3015.159427 3055.663075 3154.759393 3030.912446 2755.417364 2880.265365 3392.149247 2264.015809 3154.604947 2894.169818 3093.53199 3085.846814 2598.008592 2977.3547 2555.000082 3020.043594 3165.069037 2747.681332 3041.002915 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2891.952192 3431.57981 2673.899852 2765.88246 2738.252394 2556.936273 2838.8586 2938.780065 2621.626964 2460.096998 3059.546928 2624.707622 2598.454897 2555.194114 2500.313986 2472.497428 3003.054514 No_result_found_in_bank_inhouse +M326T880 M326.1876T14.67 326.1876419 326.1867852 326.1885124 14.67101538 14.65713741 14.69019784 0 70 0 70 [126][M]- 20 6.104119757 39.80598437 0 0 0 0.113322806 0.079891772 1 2846.643035 322.5895769 0.113322806 2769.040501 221.2235518 0.079891772 0.704992883 0.879232246 1.56E-08 2349.136944 3455.818555 1106.68161 0.274100497 0.278233853 0.977322972 0.282339202 0.977780827 0.926511606 0.764042473 0.576857342 0.767698266 0.578321875 0.926511606 2976.065727 2914.526732 3171.95866 2877.28211 2506.593403 2617.76583 3860.932053 2200.329613 2989.8375 2534.207352 2792.774323 2265.598945 2801.560579 3474.336776 2777.712169 2612.028479 2833.750347 3286.059855 3218.839021 3074.849343 2598.511397 3032.991878 2621.951577 2595.1628 2567.536873 2575.071217 2468.938019 3137.63554 2249.281612 2536.717711 2714.037999 2874.360988 2162.674228 2431.081539 2827.890302 2954.692475 2231.709099 2948.416577 2978.577174 2582.60556 2709.932478 2841.726322 2854.679079 2338.399354 3162.750018 3023.727345 3048.060566 1929.210847 3392.75011 2346.52946 2782.684241 3385.431729 2550.793887 2575.628274 2559.310941 2787.707136 2517.890019 3023.727345 2653.449402 2743.822323 2566.842018 2866.39917 2845.491861 2308.275047 2836.705604 3014.941089 2751.709717 2809.473018 2782.732887 2745.012522 2524.00511 2751.3534 2530.441813 2919.976724 2878.11926 2748.36112 3094.940926 2911.605231 3291.080573 2817.877912 2999.878936 3037.53432 3167.772914 2497.807147 2856.353378 2457.641404 2539.22807 2442.57925 2868.085091 2359.923849 2530.702304 3213.259446 2957.648442 2669.766735 2633.36653 2873.096364 2748.36112 2912.016373 3293.590932 2745.077503 3260.696485 2758.406911 2855.516229 2704.829357 2601.022845 2613.283658 3112.521061 2929.588885 3623.703133 3012.063146 3164.307446 2949.276949 2740.056785 2637.132068 2740.056785 2637.857413 2837.960784 2775.20181 2457.033167 3162.750018 2913.271552 3309.908265 2829.174527 No_result_found_in_bank_inhouse +M327T910 M327.1816T15.17 327.1816275 327.1796907 327.188441 15.1692333 14.92564141 15.19574996 0 192 0 191 [125][M+1]- 7 3.507390576 29.74058741 3.18E-09 1 1 0.146444968 0.135847361 1 768.695229 112.5715485 0.146444968 759.0703396 103.1177027 0.135847361 0.927634201 0.788286929 4.77E-06 525.0134134 977.7624169 452.7490035 0.641477391 0.641201237 0.828852751 0.643920867 0.82588821 0.927138791 0.569050709 0.989714906 0.575583808 0.98888698 0.927138791 754.9775372 738.8611903 921.6185411 666.8365752 756.8412609 828.2142173 625.8849898 692.576206 871.0423465 678.6441032 700.7928925 736.8185696 807.6365193 809.3461154 585.512836 696.3473989 766.3615761 748.9409364 729.0749744 788.9232391 643.8026098 655.3432011 607.1179875 748.2476289 851.1748073 751.7712882 796.9432779 687.977708 598.254157 760.7602217 766.1344811 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674.4357246 692.0020661 740.7488049 732.5831422 764.3768718 744.8796068 559.6680966 1034.018932 No_result_found_in_bank_inhouse +M327T880 M327.1818T14.67 327.1817973 327.1795244 327.1853449 14.67099532 14.63062202 14.69347534 0 155 0 155 [126][M+1]- 20 4.96414665 38.75093603 0 1 1 0.157342027 0.13434593 1 729.5190972 114.7840132 0.157342027 723.5378038 97.20435948 0.13434593 0.853846448 0.897353347 2.84E-09 507.3122442 930.8530417 423.5407974 0.479069688 0.480960849 0.917465563 0.481570469 0.916454701 0.896173123 0.701085511 0.823885858 0.70256633 0.82050464 0.896173123 639.9451121 692.9409885 819.607184 680.3407636 765.0015567 886.7134798 651.2489525 711.2009588 976.2578715 610.5476535 773.0320358 588.0333708 747.2763265 512.1245653 694.77543 684.009992 773.3971061 657.6244044 861.7762834 697.486916 566.2729401 762.387887 839.4563167 766.6105081 669.6561249 659.5287568 524.5397888 624.6910706 800.8776975 655.6984992 818.0672994 684.7481978 633.7216882 624.939066 820.0957748 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633.5375039 663.1456022 874.3908298 634.0002756 No_result_found_in_bank_inhouse +M327T1067 M327.233T17.78 327.2330332 327.2310446 327.2338567 17.78115087 17.77448711 17.79692278 0 83 0 83 [128][M]- [M-H]- 328.24 76 67.1129061 31.07183846 0 0 0 0.596281258 0.134851202 1 6997.929998 4172.734504 0.596281258 6672.274924 899.7642919 0.134851202 0.226153682 0.974139811 1.06E-15 4644.556166 8830.852188 4186.296022 0.435247538 0.437791455 0.975899244 0.43998644 0.975003761 0.915966112 0.878882639 0.6180405 0.882245831 0.622770261 0.915966112 9580.93171 2776.836463 4610.485339 10523.7312 1902.327312 4188.976566 5393.886068 8921.072975 3752.83186 11485.22018 6211.17425 8853.055597 5979.05145 2382.767525 3679.416277 4648.933829 3896.158525 6011.440678 3440.145715 7996.543646 6611.719469 3763.737627 2641.890163 6047.531842 9549.225298 11865.65847 9080.859832 3041.950481 4034.618142 23337.51827 6327.294302 12504.40121 5953.140068 5149.494345 2113.139114 5409.001041 4672.68593 4261.342737 2528.120096 4697.211702 4298.050528 3256.197034 5576.598368 4576.597887 6348.742757 5634.645995 3055.938604 6968.002539 16944.96434 6217.254401 5260.466788 2915.124832 2385.441242 9583.972504 7753.981133 4445.425488 10830.95777 16826.20384 10847.15239 17744.97827 7697.839805 7848.269542 5329.107613 10813.68352 6464.889867 19566.33251 6594.00118 5482.411673 4488.067331 4854.811221 3096.03789 3092.091613 4556.084709 10506.94545 8039.440556 4404.393661 5926.301442 4811.91431 13202.92889 7213.081029 4465.394872 5226.541725 7163.784057 6187.422149 2779.90631 6484.323404 10822.32065 10940.00151 4908.047651 3815.027412 12753.43801 2354.696861 7184.299971 3689.133046 23608.50814 5128.978432 17101.87917 6808.215682 13104.68156 6463.810226 3938.122894 5524.376042 21127.66097 12834.56912 5261.399329 6527.509041 2040.400874 6107.528721 6766.109686 7781.126552 8248.456678 4767.152317 4950.153648 12769.99288 8311.075852 7552.653876 8893.002311 3611.398899 21444.72509 6968.882876 2746.606517 5878.644844 6769.348609 No_result_found_in_bank_inhouse +M327T1164 M327.2905T19.4 327.290509 327.2885427 327.2925023 19.40069257 19.23238136 19.42589517 0 281 0 212 677 3.004378365 8.37436205 0.000141515 1 1 0.447863989 0.18446358 1 597.645402 267.6638535 0.447863989 576.4362734 106.3314984 0.18446358 0.411874105 0.886401669 8.21E-09 381.6769085 936.0928914 554.4159829 0.625294838 0.625438614 0.90646818 0.629031279 0.905542086 0.926511606 0.932121346 0.575755977 0.933537508 0.578321875 0.926511606 649.4718017 215.5684962 1246.249505 872.1569338 867.9531457 597.8783048 602.5792826 1113.531702 539.1901352 1122.303293 663.7227181 1214.805531 430.3385229 271.2245171 431.7247369 459.1743437 275.9136578 165.1460088 401.8219507 366.4910552 239.4975315 928.1709107 397.5368862 1013.972806 658.8259762 663.3828503 417.2609568 358.0426078 828.3872806 886.7932638 546.328089 1080.326689 833.4449084 762.0321541 274.6144806 320.9481553 192.8751526 361.9012051 335.5141527 824.029974 507.263194 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No_result_found_in_bank_inhouse +M328T1067 M328.2364T17.78 328.2363929 328.2345032 328.2374721 17.78198951 17.77111255 17.79697547 0 131 0 131 [128][M+1]- 76 51.09798707 31.39737949 0 1 1 0.576814449 0.146606351 1 1696.091293 978.3299651 0.576814449 1668.471874 244.6085732 0.146606351 0.254165531 0.971498322 3.05E-15 1077.004496 2302.095392 1225.090896 0.637809042 0.639419382 0.907981747 0.643704302 0.905542086 0.926511606 0.78391398 0.760612007 0.785080257 0.760108242 0.926511606 2213.158439 701.756711 899.6678623 3124.041072 493.1360688 791.540363 1644.566658 1343.872002 737.7343716 3212.537142 1322.113425 2554.713332 1882.702726 796.9828177 938.3302001 1210.412256 1098.058648 1461.525125 677.6820872 1923.72363 1908.661517 849.5653096 580.4484604 1501.517912 2000.744292 2560.569647 2546.714499 807.0015743 997.0512003 5259.165693 1372.621824 2649.495541 1454.612695 1208.094265 606.56265 1498.708908 1387.195657 1075.045306 437.5322663 992.7452742 949.073199 766.904445 1364.906798 1042.244114 1371.705634 1490.302833 665.5832368 1688.935594 4007.779069 1762.72568 1275.917792 624.6214947 552.9756771 3381.694986 2055.191962 1227.067677 2882.146301 3951.35434 3413.990786 4734.75917 1675.063649 1673.95045 1678.072718 3036.148896 1466.257877 4465.358589 969.6110915 1472.91117 1287.163599 1074.195903 788.7457728 1011.484422 1024.858423 2304.874321 1919.509646 1190.009851 1560.614356 1554.799679 3291.141241 1644.98397 797.585487 1346.293289 1692.747482 1851.443529 421.0669473 1555.97019 2832.635225 2500.73611 1472.619498 880.9898228 2809.008346 441.4602459 1758.495451 1292.405154 5467.196257 1428.48519 3781.853833 1432.680352 2871.091095 1651.565629 1132.771691 1479.501256 4253.283683 3057.877904 1508.606684 1203.938598 439.258667 1481.082343 1758.861255 1137.816251 1794.543629 1125.129352 1817.451083 3659.678561 2300.570743 1722.715577 2048.063384 906.5885846 5175.702049 1907.328945 750.0982283 1762.189888 1450.740283 No_result_found_in_bank_inhouse +M329T1089 M329.2487T18.14 329.2486548 329.2473285 329.2500913 18.14457818 18.13300555 18.15749977 0 78 0 78 864 15.72893421 34.05038836 0 1 1 0.452866745 0.182259198 1 1224.759034 554.6526368 0.452866745 1202.63382 219.1910753 0.182259198 0.402456572 0.942494712 6.00E-12 700.6632477 1613.977308 913.3140602 0.949586024 0.949715288 0.828852751 0.94905084 0.82588821 0.895228214 0.772141184 0.7412684 0.769035704 0.738133871 0.895228214 1935.629705 836.8586035 777.3684474 1990.815671 272.0612817 848.3396403 955.4162578 1816.771043 1028.876684 1644.813912 721.9438676 2238.881191 1595.166436 535.8911133 994.5785595 1662.963326 1089.921008 1678.942239 995.0639747 896.4855767 1233.56712 929.8214966 533.8672718 355.739552 2105.474498 1056.368153 1252.010548 837.5741095 895.2196552 1595.40277 1267.922478 1964.575592 620.3116841 630.1882521 739.7643351 969.0262037 1212.677025 1052.937176 752.1381073 1020.436966 1206.158091 467.1687374 1056.759051 1010.150939 1412.404727 1848.085198 832.2519356 1477.370949 2235.747147 1189.176378 1673.236684 715.7697689 356.2164184 779.3617045 966.3106753 1028.08344 2133.377417 2479.450698 2237.233175 1998.83476 1481.523945 813.7384097 752.8512179 1473.638442 610.1448806 2161.721138 1267.702847 851.739212 927.2761892 1384.697 499.7587912 1200.071706 797.816007 1204.818912 1029.576744 1091.043119 995.2867027 502.6658066 1594.780768 1832.06207 936.9198009 1086.007199 1561.529533 1558.990589 466.7253539 717.2790185 2244.059464 1984.270519 1483.77233 1134.786997 2372.485348 791.1419122 1429.656634 777.4381952 2137.262152 1128.762714 1913.841999 1083.358312 2198.309536 936.3651251 943.7795131 756.0232206 1889.354258 1713.4387 1846.431289 1421.392015 940.6859964 963.5282934 981.5702058 955.9990631 551.5783843 783.5603188 845.4911335 1563.3414 1335.797695 1723.619856 1148.894889 490.2299101 2492.752528 1241.756487 575.8040568 1525.682968 956.7929817 No_result_found_in_bank_inhouse +M331T1127 M331.2642T18.78 331.2641816 331.2625205 331.265859 18.78495938 18.76742008 18.92457888 0 100 0 99 154 21.14810486 26.46747288 0 1 1 0.433884136 0.207270002 1 797.9591758 346.2218275 0.433884136 751.8172458 155.8291618 0.207270002 0.477708182 0.981651003 2.51E-17 447.097541 1099.764554 652.6670129 0.029267144 0.028533386 0.819596024 0.028818926 0.814503953 0.895228214 0.078631834 0.584909599 0.075173279 0.582994349 0.895228214 1202.367825 549.4782237 667.8549876 1150.492118 301.1598109 670.7776927 845.1864642 1300.444397 670.0119694 453.3107484 404.1408337 1879.695667 820.0552094 559.5350293 1212.530836 1522.755356 1132.58872 1288.069474 643.4461178 327.6713194 779.3259376 811.2854009 456.7034153 598.1881105 1873.360643 614.6326607 667.594479 576.1834026 728.8994515 488.8864051 755.5484295 1168.466522 603.2860735 548.2842023 803.6221637 1593.52584 1046.758441 833.3762405 835.5671551 494.7515993 1387.808385 263.3113961 540.8366353 598.7804145 818.733952 1005.024297 899.4176455 1562.015158 2053.813264 1774.630912 845.5307423 438.6133952 539.0210128 324.7695894 481.6895739 785.6908957 1174.72784 1146.969246 1359.345626 1001.002741 494.1885183 581.9368035 537.9571294 258.806452 646.8545736 627.5010541 516.5278307 576.1824699 839.1365941 974.9663462 804.6576722 952.2349949 762.0974586 578.3582106 726.1221741 777.2046289 644.1914056 379.3730715 885.7373442 1276.289802 523.8854526 951.9328967 1070.233735 613.7714935 235.7752045 502.9143307 1074.326048 742.5259207 1069.873032 464.7171203 1006.474089 878.1334604 676.3343215 683.7377929 754.3482748 798.2541839 1201.427004 1245.687636 976.0029317 421.8550499 917.1763092 747.084592 939.1770782 1653.372834 1294.316793 908.5475777 844.3247565 683.8462537 897.7163067 480.4331446 285.6801785 901.6749827 472.889469 828.4544243 551.7634131 1041.979058 693.8582806 653.9433892 849.7254385 712.010973 336.4529718 1219.521699 558.4508784 No_result_found_in_bank_inhouse +M333T55 M332.9469T0.91 332.9468661 332.9452622 332.9488265 0.908436445 0.889752375 0.924566819 0 82 0 82 [M+Cl]- 297.975 [M-2H+Na]- 311.963 45 Inf 17.34270115 0 0 1 0.311678309 0.247573434 1 2951.233929 919.8356004 0.311678309 2699.669163 668.3663661 0.247573434 0.794323593 0.937558143 1.45E-11 1410.427328 4969.139095 3558.711766 0.000262886 0.000172512 0.715391897 0.000162265 0.695696123 0.843428085 0.000858608 0.192210602 0.000643532 0.180220881 0.843428085 2414.4995 3658.18 2197.404154 1762.215323 3065.535207 2241.821363 2692.637537 2060.124814 2425.626333 2264.55836 1869.111232 1974.733365 3439.548182 5350.284965 2972.150705 4030.535197 4364.864122 3183.87852 3411.64088 1963.340436 2075.631132 2151.988806 1869.515321 2172.450666 4343.404123 2307.698571 3965.962978 3139.148791 3963.044837 4085.654933 2624.607869 2899.107026 2649.220024 3142.64228 2290.730199 4576.795592 2612.470352 2367.155957 1929.403693 2169.456247 2432.270701 2424.610213 2190.916247 4139.848638 2320.674385 3063.60864 2694.976705 4351.559411 4830.411994 3678.643202 4002.539476 2054.670203 2331.653919 1749.685366 3715.726905 3645.205528 3589.090979 2677.796215 2331.664454 2615.743762 2306.681692 4222.130171 2580.725697 3578.296314 3744.980719 3280.578394 2579.69159 2076.130202 4318.852045 2527.788335 3734.039945 4488.453762 2087.530223 2981.442747 1661.902301 2549.248335 2215.370665 2114.558574 2346.053209 2461.564122 2536.11433 2599.142108 1652.419976 2093.247809 3578.33018 2970.684572 2131.836992 3548.935294 3929.626905 3756.997154 3403.655764 1320.604747 4225.623659 2507.544507 2330.288493 2223.355781 2869.651121 1480.792062 3270.098157 2888.872989 6570.752462 2085.612528 3666.166458 4026.993895 2492.853452 2040.509991 2658.544612 2414.499605 2848.498086 2247.31113 3645.31119 2310.692989 3251.77652 1841.500888 2393.863797 4345.899471 2381.072513 2920.476182 2110.066946 3780.952503 2547.421123 3241.699609 2564.050115 No_result_found_in_bank_inhouse +M335T47 M335.0448T0.79 335.0448423 335.0438014 335.0457967 0.788876515 0.771699834 0.8062 0 294 0 294 [M-H-CH2]- 350.066 16 Inf 66.14039654 0 1 0 0.251074294 0.153754528 1 1959.791832 492.0533502 0.251074294 1885.41226 289.890673 0.153754528 0.612386582 0.91939603 2.21E-10 1306.437862 2538.675336 1232.237474 0.437606581 0.440967132 0.93840941 0.43998644 0.936212582 0.895228214 0.781148657 0.680067555 0.778449673 0.679778253 0.895228214 1609.602118 1710.936348 1809.966 1551.966214 1784.383258 1780.439015 1143.135237 2107.361335 2198.699159 1343.701799 1152.551508 1585.69995 1858.771794 1821.106712 1708.111467 1272.138143 1367.020187 1774.02536 2881.077405 1593.05979 2108.89737 1920.755236 3158.446409 1450.271962 1994.962007 2403.151937 1259.896991 1616.510784 3016.031437 1655.380352 1859.481722 2591.357638 1849.355524 1727.317951 1822.638902 2739.193085 1737.301905 1943.518229 1527.288929 1755.648004 2140.318282 2158.209196 3054.643452 1999.074225 1879.434022 1399.257795 3154.066073 1618.656897 2075.346016 1627.714172 1840.817858 1500.349744 1791.139239 1577.225307 2790.982573 1480.703777 1991.541208 1830.522983 1541.443479 1892.670368 1559.334393 2817.068235 1707.16984 1640.314319 2254.255155 1457.638672 1864.764685 2100.878784 1610.182254 3305.048245 1904.667065 1792.857901 3268.387487 2155.816961 1988.73055 2106.711581 1560.50559 1099.437138 2730.718442 2180.808245 3064.054417 2097.945065 2272.147012 1796.624409 2277.427669 2049.922085 1252.363975 1568.750663 1733.535397 1961.841924 2050.45619 2171.391975 1811.000031 1366.300848 1931.277077 1215.110365 1268.490903 1951.992872 1374.775491 1419.031963 1667.873649 1506.873256 2515.473377 1548.572117 1901.568343 1698.695196 3420.142296 1556.509512 2313.577659 1467.013641 1940.693348 1826.60398 1790.03302 1402.082676 1766.492344 1932.742573 1701.520077 1706.228213 914.817808 1526.672345 1492.478872 1822.04834 1601.70761 No_result_found_in_bank_inhouse +M339T910 M339.2T15.17 339.1999646 339.1988746 339.2010875 15.16873469 15.05212763 15.3293984 0 343 1 339 [135][M]- [M+Cl+NaCOOH]- 236.253 [M+Cl]- 304.23 [M-H-CH2]- 354.22 [M-H-C2H4]- 368.238 7 3.690445629 11.11072787 8.95E-05 1 1 0.058926124 0.050625903 1 9179.829042 540.9317456 0.058926124 9129.397038 462.1839726 0.050625903 0.85914192 0.750815318 2.37E-05 8256.783501 10386.30459 2129.521092 0.228701854 0.2322692 0.932203586 0.231294041 0.931766748 0.895228214 0.569533583 0.676135856 0.573697168 0.674640444 0.895228214 9329.203424 8485.190405 8502.9161 8476.450769 9487.439518 9856.924081 9653.673568 8397.930661 10450.77626 8888.929429 9385.758894 8622.476266 10280.16834 9460.921641 9215.289363 9853.021249 9124.838379 8824.01436 8814.717778 8322.794137 9429.521087 8955.193597 9604.998507 9153.668221 9295.403032 9372.036108 9036.036483 8933.808368 10187.42568 10095.52518 9006.165032 9989.701932 9469.840625 9701.86155 9123.451853 9254.692553 10244.14609 8079.507349 9650.862156 9265.075342 9639.697578 8560.941954 9127.517876 8314.575927 8708.544896 8940.188506 9041.73159 10492.47119 8792.050198 9363.951446 8790.411358 8388.240713 10243.34541 9005.231111 10091.39438 9252.213748 9513.195133 10445.59348 9448.563971 9851.951694 9525.475357 9472.544922 8842.384061 7926.865248 8054.707672 9134.398032 8573.260846 9084.965948 9077.425101 9035.177973 8660.785211 9311.365401 9604.483497 8867.449183 8916.553349 8552.568231 8678.029386 8633.91889 9563.239612 9261.497696 10490.27098 9456.698676 9862.995426 9213.061429 8751.700219 9848.513749 9083.19183 9814.739951 9357.845954 9261.805806 9605.626253 8410.419364 9205.533517 8765.250213 10644.36082 9132.327642 9358.314139 10220.27295 9606.060414 8682.389686 9535.389736 8779.614748 8991.905529 9527.63552 8883.394294 9377.72004 8936.745007 10242.9586 9933.454933 9433.086085 8686.099676 9829.292562 8566.791496 8982.848932 8505.279686 9143.048291 9146.155945 9371.564226 8974.919263 8958.637213 8494.210634 8172.487169 8814.583237 No_result_found_in_bank_inhouse +M339T880 M339.2T14.67 339.1999718 339.1987364 339.2012131 14.66909473 14.64901806 14.7516127 0 339 0 338 [139][M]- [M+Cl]- 304.23 20 7.474257705 25.37562328 4.07E-09 0 0 0.102220461 0.08380184 1 18616.09562 1902.945883 0.102220461 17915.10227 1501.318536 0.08380184 0.819814731 0.926369247 8.43E-11 15213.41686 20226.28481 5012.867948 0.635158467 0.639419382 0.94388693 0.64153341 0.943247809 0.897437208 0.97271443 0.661053309 0.973061143 0.664676869 0.897437208 18133.02891 21151.22813 22537.56025 18916.93224 15323.55626 17092.35309 17036.37221 20397.2613 19695.74434 16188.97905 19281.06258 16474.1752 18524.63716 19030.28666 18863.10271 17455.97114 20088.03218 17921.4637 18243.07426 17870.82208 17944.18565 18418.33168 19521.50239 19654.64368 19832.61827 18569.13457 19284.3407 16764.9342 17510.06006 17843.60843 19658.71944 18587.74091 16227.49692 17177.94392 18821.83131 18214.85514 20716.87767 19640.83588 22328.33821 16512.23746 18014.89003 17098.65642 20737.43562 17263.38178 19033.77051 18725.42181 18173.78645 15054.75069 18721.32416 17312.4438 16338.33863 19412.81562 18567.77599 19204.02684 17762.47504 20044.55747 18402.52732 20169.43219 15416.16305 18393.5125 16994.57622 19354.39648 18619.70255 16424.18392 20575.91865 17198.63898 17858.59482 19510.63371 19090.11228 16885.84823 18191.44805 17921.4637 18069.79848 21342.00578 15762.29875 17427.92349 19101.69974 19422.32571 19393.33807 18293.52994 16310.26937 16509.41496 22522.61581 20147.3049 16709.23223 18101.76012 18318.93534 19008.9789 19667.88034 16407.62644 16994.535 20514.45397 18700.91728 17593.65204 20516.09303 16407.62644 19031.05334 16890.49602 19808.83936 19021.27184 19609.81039 18066.45826 15846.531 17919.73113 18627.55371 20721.79485 22302.52511 20412.83235 20549.69372 15695.7281 17894.41924 16520.38897 16960.15599 17434.66338 19596.58131 15176.74878 16149.64165 20169.43219 17167.07525 17096.42885 19178.62143 18072.25707 17752.64069 No_result_found_in_bank_inhouse +M339T1075_2 M339.233T17.91_2 339.2329666 339.2298641 339.2343566 17.91137004 17.89862444 18.20880923 0 203 0 188 [142][M]- 12 75.6043056 26.08575831 0 0 0 0.687058991 0.233437327 1 209310.0808 143808.3729 0.687058991 195418.4027 45617.94955 0.233437327 0.33976315 0.853989552 1.11E-07 111298.2773 329574.6751 218276.3978 0.997345783 0.997340401 0.828852751 0.997357946 0.82588821 0.927138791 0.663810057 0.993331005 0.665499583 0.993591413 0.927138791 175653.6429 82810.91047 97153.78029 169197.8021 174998.4786 151500.1816 170841.2953 107426.6657 55695.43457 91878.25923 168107.1131 213286.9481 196485.976 131603.2565 259993.4884 98601.89448 88076.19346 195516.5677 98595.46227 97836.21354 186716.1865 398450.8434 391683.2876 393805.1763 419582.8956 436584.7236 355694.3723 202603.6333 449729.6776 660094.8743 242605.5771 529130.9764 332658.527 374256.1912 166548.2244 525001.7481 143406.591 283493.7478 159218.4682 286505.072 442057.3749 459990.9766 282888.0644 314399.3845 343845.0507 423693.6265 327018.0058 362741.7448 550698.7318 472164.7671 339065.7915 924629.1447 359095.7083 487275.9862 412370.9382 401234.0133 397828.9127 432215.4013 401848.1244 431618.4262 266281.5662 233473.4401 397283.3388 485853.8869 359000.2799 422182.2514 306110.8337 310291.1549 332872.2477 162980.2006 90785.88764 164914.8292 106737.7096 273575.5781 156299.4797 164051.1644 149661.0629 287885.5242 294171.6669 395231.8004 91683.47581 261087.3416 192431.7041 175786.63 147395.5626 135950.7144 287678.8861 214632.3966 93468.99053 181467.1281 254370.5927 135900.215 218596.8406 210109.9944 116177.4914 330424.6057 214445.4644 390580.4443 254666.7028 332457.4312 260687.2751 283101.8119 402919.501 528049.7047 555048.6789 432777.2072 332389.5236 332469.1542 676793.0441 376622.9988 214047.1445 409510.0472 310387.387 280634.2189 398763.1517 295096.1607 276998.2617 292329.3404 366699.3284 176693.4351 275740.2854 307899.3895 476724.3156 No_result_found_in_bank_inhouse +M340T880 M340.2033T14.67 340.2032591 340.201686 340.2044431 14.66798337 14.445066 14.68689021 0 352 0 329 [139][M+1]- 20 7.601814833 31.58726047 1.01E-12 1 1 0.099900435 0.076923227 1 3904.621504 390.0733853 0.099900435 3991.610407 307.0475551 0.076923227 0.769998926 0.964997443 2.83E-14 3487.301293 5263.013874 1775.712581 0.197489005 0.194626803 0.828852751 0.194713222 0.82588821 0.895228214 0.308320103 0.823885858 0.302944209 0.823644787 0.895228214 4058.504067 4040.209787 4453.159174 3911.081398 3507.266902 3779.522732 4006.027223 4311.788705 4063.040158 4156.048571 3447.924344 3792.998895 4644.1688 3682.549465 3910.664509 3679.34521 4255.037815 4061.020627 4076.180523 3919.988381 3892.555461 4077.231615 4062.834766 3927.368161 3631.845155 3793.964812 4223.33084 4075.651762 3694.19861 3288.602089 3914.632016 4164.143241 3549.038783 3807.851438 4319.249246 3381.59566 3646.505957 3908.337083 3942.291601 3878.007892 3592.819884 3922.885339 4269.859499 4134.301379 3699.875479 3914.361195 3852.915434 3152.061412 3802.083678 3670.139998 3438.14967 3531.310664 3839.53486 4138.506531 3753.578939 3980.441805 3503.814856 3763.40864 4164.572617 3949.045405 4196.567999 4065.069394 4217.42338 3797.42872 3982.564926 4111.846437 3322.842027 3803.110334 3876.585364 4117.964677 4036.027409 3981.729156 3927.26078 4123.594686 3773.310146 3730.351381 3874.485563 4497.41864 4114.094383 3838.452251 3960.676379 3873.72172 3881.033485 4000.223802 4174.84278 3970.545846 4163.964935 4127.427072 3919.144182 3141.600009 3663.697703 3695.063897 3137.758315 3711.731021 3498.207519 3664.15374 3624.598778 4001.277331 3754.301595 3522.457105 3758.144327 3719.193022 3867.539956 3802.113944 3564.478272 4258.880472 4314.446996 4186.171878 4312.213055 3740.243293 3906.219418 4192.628815 3806.527384 3645.548657 3880.612811 3256.730442 3713.034233 3557.364877 2683.662333 3969.249297 4036.851519 4064.811742 3779.114017 No_result_found_in_bank_inhouse +M340T1075_2 M340.2363T17.91_2 340.2362979 340.2330294 340.2379069 17.90934584 17.90067088 18.18328162 0 89 0 88 [142][M+1]- 12 74.96334203 25.88755761 0 0 0 0.694550969 0.233412013 1 52125.79295 36204.02001 0.694550969 48727.89849 11373.6769 0.233412013 0.336061749 0.847090525 1.78E-07 27943.08406 79933.34067 51990.25661 0.922647026 0.922203959 0.828852751 0.9236967 0.82588821 0.931912603 0.59059403 0.970576845 0.593491865 0.971599917 0.931912603 44233.11884 20540.6108 26917.99331 41804.73035 44390.24194 40870.04675 42490.23544 28545.14269 13111.75656 21200.97342 41878.52163 55842.53336 44772.22523 32021.73116 64600.22098 23570.3509 21953.88423 46929.89026 26458.47781 25389.62909 43301.78937 104540.336 105601.3584 102299.7786 106919.5306 108582.0599 85183.17427 52601.6676 110717.4959 164785.2484 60290.44647 130431.9777 88521.92443 94201.79616 40896.87977 130294.1394 35278.49906 71548.8934 39528.39564 71985.17192 113388.6762 111033.7131 339.8849463 73566.01741 85563.79914 106436.4001 79623.63887 91722.83628 137910.3817 118070.8873 85879.08714 230280.9954 92834.43007 128146.3843 104456.2132 99453.24219 99057.99651 111871.5539 100205.7482 101636.3837 68229.96313 58241.07441 99649.89042 124468.8942 87476.87581 101985.0335 79677.30492 76778.22049 80001.17456 40876.755 23265.34818 45074.92896 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0.982253715 0.082279556 0.982447934 0.897437208 0.551500609 0.364067557 0.555460406 0.3678564 0.897437208 1028.975438 1219.066974 1034.701902 1025.854301 829.5028724 1025.101307 849.6527398 1194.719218 1020.087034 1032.680702 871.4817627 957.118699 933.6105204 878.1983852 1010.012101 1114.959327 1025.857152 887.4337411 935.6624367 997.88084 992.4373117 1023.946414 901.1912827 790.2528885 791.0465014 1031.881777 1257.687554 987.3216238 1423.084381 914.3002309 997.4079341 1144.34455 1089.771992 836.0184818 999.9373788 1098.16777 1028.482812 957.118699 1342.873055 803.3002934 969.7123661 842.9361173 865.6277882 1057.868036 1052.047701 1156.938217 922.4789175 764.0158036 1042.755635 725.4003088 990.828296 947.7559344 921.1003811 1134.269616 1025.124501 852.8747648 1224.944019 908.4231862 861.4068291 1019.247457 985.6643444 920.7662506 953.7603877 924.3751645 1035.199435 1180.446395 1220.25856 851.0505828 1120.836371 921.8463279 877.5346891 1022.605768 868.1234515 1107.69927 828.323002 1066.689342 891.2702325 924.8868482 1152.740328 1106.563548 850.4923176 941.1667206 1307.671408 1132.59046 1187.739546 837.8986505 1123.355105 997.4184337 1216.548241 834.6672656 745.4884456 1272.799954 1063.701546 948.7229209 1015.889145 873.4703376 954.3041152 1070.461703 1038.557746 1007.493367 885.7685296 1007.899329 1037.22262 827.0556367 1225.178566 1448.271716 1274.252703 958.7978546 1365.993091 817.6633361 1015.049568 1119.917309 1177.088084 932.7709426 826.1445612 987.9745802 892.4712079 924.3751645 803.5786891 987.1245829 1088.932415 964.6748992 1070.461703 No_result_found_in_bank_inhouse +M341T1075 M341.2395T17.91 341.2395187 341.2385588 341.2409003 17.90990774 17.8981377 17.92170673 0 92 0 92 [142][M+2]- 12 32.34723568 25.81255657 0 0 0 0.679203427 0.246891155 1 7024.969996 4771.383697 0.679203427 6554.7511 1618.310073 0.246891155 0.363501045 0.86123756 6.57E-08 3926.176818 11349.36104 7423.184224 0.996942359 0.996894784 0.828852751 0.99689455 0.82588821 0.91798044 0.581407636 0.999878042 0.583627868 0.999878616 0.91798044 5789.722997 2710.691965 3651.860628 5128.449047 5896.800395 4902.889714 5609.550677 3459.722877 1866.214153 3117.932073 4986.87328 6928.535936 5585.007188 4393.284463 8380.237837 3145.202616 3066.50665 6460.391616 3619.952235 3305.269457 5728.106788 13257.38738 12963.6101 13117.65062 14650.3538 14417.09244 11362.72621 8507.437896 15272.41305 21885.5197 9097.193032 18343.07618 11601.79797 12224.2156 5859.041231 17644.04126 5794.08135 9561.052345 4997.514605 9202.820818 14675.18816 15493.30445 8866.132252 10250.99708 11682.8732 14037.05745 10143.56828 13481.6474 18494.8822 15104.77334 12071.27537 28819.88112 11738.98796 15850.54856 13100.76881 13668.89563 13441.6506 14338.85146 14252.49474 14012.51397 9193.809033 6643.547597 13358.92995 16656.84761 11329.09254 14525.20017 10820.24628 10561.67827 10980.02959 6225.437612 2723.216347 6359.490607 3449.723678 8761.604755 5577.367136 5601.573504 4899.588845 9704.5528 9819.213484 13201.66982 3077.026258 9489.239915 6817.393327 6186.777168 4668.528064 4680.534182 10520.06644 7246.69227 3284.282385 6806.390433 8505.237317 5078.684108 7760.341371 7633.933979 3718.793035 12118.58782 7452.26033 12963.50708 8922.92164 10638.23879 9415.176679 9492.196939 13367.41632 16921.35119 19008.60025 13765.26104 12533.39693 10995.4829 22889.07568 11866.62154 6682.192031 13301.39896 10427.34659 8099.351245 14755.18175 9843.189268 9409.246322 9564.688417 12106.48463 5732.507946 8645.671121 11049.11497 15690.56137 No_result_found_in_bank_inhouse +M342T1075 M342.2425T17.91 342.2425434 342.2399675 342.2444515 17.9125113 17.89808391 17.92229834 0 89 0 89 [142][M+3]- 12 8.456644378 21.90143417 0 0 1 0.664876748 0.249386994 1 792.5242008 526.9309135 0.664876748 678.5825958 169.2296737 0.249386994 0.375087555 0.918127498 2.60E-10 398.6595026 1340.35286 941.6933578 0.939074556 0.93931305 0.87036886 0.940492528 0.870785344 0.897437208 0.745632269 0.999878042 0.749278491 0.999878616 0.897437208 748.1454741 352.0002464 450.6502193 695.2574288 396.731763 511.2511045 331.9957458 479.9715971 279.5598144 311.7657506 856.4633922 949.7986603 664.7413848 701.6145806 1186.836318 295.6244124 242.4035409 714.6013908 457.2612249 518.9639445 655.5913948 1405.940537 1567.910176 1397.125863 1322.201132 1297.960778 1599.007913 672.118909 1581.906991 2289.589962 754.7564797 2096.265145 1135.381512 915.6242842 408.7805168 2229.152285 605.4517784 1277.793393 560.833647 818.6628678 1970.68888 2033.499583 1059.964574 1251.994686 1271.516756 1759.119566 1056.659072 1377.349575 2102.069909 1291.349773 1313.386458 2731.447173 1510.614794 1884.661658 1927.542145 1219.730545 1507.325237 1710.720386 1594.093793 1189.195796 849.0980363 688.6464231 1677.378439 2115.311711 1034.981227 1341.005199 1069.881083 988.3453464 1111.997682 885.8747587 326.142946 637.6020191 293.557791 1023.604043 657.7950634 830.7830448 634.6565435 880.3655873 1136.472535 1278.120892 440.5902296 1186.129521 580.666664 731.8408972 462.7703963 771.8582125 790.1963343 940.3299873 464.3716714 579.5648297 644.573052 508.4352255 884.7729244 716.424442 637.5247761 945.3738096 635.7583778 1505.499882 1426.467049 1358.647052 1078.695757 500.2327617 1380.598349 1506.207457 2201.464885 2073.328138 1078.695757 1135.814481 2559.388517 1174.555339 568.5314003 1400.431366 1206.205836 946.7540304 1508.900688 1078.695757 1216.911926 1666.494443 827.477542 578.4629954 1275.960022 1187.428181 2319.550284 No_result_found_in_bank_inhouse +M347T1092 M347.2204T18.2 347.2204125 347.218651 347.2224528 18.19626829 18.18468474 18.36918409 0 243 0 234 [146][M]- 498 16.76047477 47.18914887 0 0 1 0.28325291 0.169756923 1 1831.240319 518.704149 0.28325291 1743.090224 295.9016325 0.169756923 0.599312194 0.867880708 3.95E-08 1051.970713 2605.521318 1553.550605 0.435247538 0.437791455 0.960978827 0.43998644 0.961195795 0.896173123 0.751426049 0.783330869 0.750712678 0.782453521 0.896173123 2074.918187 1839.334131 2183.662842 2594.963193 1580.501164 1305.81284 1641.935978 2032.816329 2019.356764 1656.02658 1305.25578 2180.874789 2231.786319 1514.46765 1726.711613 2753.724635 2840.515641 2412.552952 1780.255249 1911.801203 2640.56579 1775.870384 1238.285917 1771.485519 2041.593212 1695.188865 1851.92748 1046.228824 2499.700216 1511.599193 1732.898705 2323.089079 1589.075682 1275.118784 1727.636867 2545.408676 1804.250916 1760.924824 1978.451154 1189.175427 2530.77183 852.0042662 1974.066288 1667.099424 2067.025429 2474.271602 2233.650305 1891.590229 2606.873441 2330.117338 1462.791012 2288.899606 1334.75295 1644.642786 1907.684785 2211.725979 2660.62153 2831.227598 2694.070885 2161.410421 1201.782331 1995.113641 821.2049329 1021.338533 1047.854947 1679.911973 1837.258496 2014.407048 1740.963912 1803.056548 1404.03382 1772.655564 2123.52445 1872.337417 1297.920083 1332.999004 1903.908446 1213.730672 3231.264049 1711.721536 1669.076654 1549.918397 2433.600156 2855.686202 869.0802718 2416.06954 2504.374064 3223.556271 2059.558989 2405.537019 1915.309095 1341.045837 1874.968336 1153.989029 2175.946462 1387.371332 1804.810494 2443.43717 2119.820479 1640.785835 2736.155851 1484.715338 1451.390363 2325.732473 2964.168838 1447.045821 2367.827178 735.0189219 1915.747368 1596.967886 814.8011756 1394.387116 1374.363583 1081.758511 1770.148085 1594.336967 2603.297136 927.2788843 2092.457647 1741.668436 1249.147505 1867.861808 1101.495554 No_result_found_in_bank_inhouse +M348T1092 M348.2238T18.19 348.2237559 348.2210436 348.2257544 18.19493775 18.18519458 18.23360123 0 101 0 101 [146][M+1]- 498 7.648779663 36.87941304 0 1 1 0.323367022 0.252354599 1 393.356933 127.1986602 0.323367022 397.4224615 100.2913858 0.252354599 0.780396829 0.877957666 1.73E-08 204.9173777 660.4383446 455.5209669 0.593416559 0.596791651 0.907981747 0.586071486 0.905542086 0.828457199 0.711912944 0.956161981 0.70256633 0.954444196 0.828457199 420.1534366 384.3457015 342.7381606 515.5311602 260.466516 369.2128454 417.3616196 452.558083 518.2499943 229.3143779 220.0830851 348.7826442 569.0416562 292.7894667 287.3892712 558.3610495 557.2499498 676.0926742 354.2161574 467.0351956 458.25589 449.0876456 243.8684391 455.3280257 365.793101 299.0674463 438.622578 299.985555 337.8764443 511.469876 603.6344305 366.4797488 239.5825198 240.5313374 381.9328073 615.6428456 589.5669719 411.6457248 445.1998335 376.9180432 424.2266753 167.9523423 292.5584414 509.3396175 517.8270359 592.5900188 441.3021192 693.8181113 629.0420113 318.6444117 395.7231825 549.0094664 261.789838 376.5305359 589.0639467 302.8367631 437.9998981 580.2752598 546.1982719 434.5723261 313.9949666 387.50041 286.4622813 341.2981496 251.4804033 352.6406029 488.5835453 299.6287737 487.9043673 402.737292 400.941609 385.2670297 386.5111448 386.298751 310.8942213 444.0472212 406.3954418 214.1608455 559.402484 480.4800944 227.2223686 348.987555 339.7071954 511.0650479 168.9542461 454.9098025 637.5700921 548.8841278 498.1251218 368.2591311 476.0953978 313.7916349 390.4352867 245.4557855 463.0249795 109.9548911 301.9760562 346.8925143 401.9106468 477.4088391 508.0152212 307.3678104 314.4800479 379.5187033 450.9307592 219.8841839 486.9052048 228.572539 368.9662809 405.8014935 198.9247982 489.7876987 254.7006727 253.353474 483.3639692 458.2825364 446.1590568 165.4835911 266.4386563 488.20803 203.0820563 676.0555941 367.6638622 No_result_found_in_bank_inhouse +M349T47 M349.0605T0.79 349.0605026 349.0595641 349.0613053 0.788876515 0.771699645 0.8062 0 250 0 250 [147][M]- [M-H+NaCOOH]- 282.079 [M-H]- 350.066 16 Inf 78.00768281 0 1 0 0.203916402 0.120119945 1 4596.721832 937.3469789 0.203916402 4258.102143 511.482997 0.120119945 0.589064656 0.908636656 8.32E-10 3297.347263 5341.386049 2044.038786 0.939074556 0.93931305 0.748298881 0.940250949 0.72890136 0.896173123 0.333207751 0.843427299 0.330993197 0.843891502 0.896173123 4521.919498 4047.19933 4318.355069 3869.131783 4250.329458 3292.789235 4227.22461 5241.912548 4366.816404 4314.830494 4216.634887 4704.724816 4913.631156 4033.721502 4451.534182 5082.104011 5114.637599 4040.460416 5021.198186 4928.878721 4123.8972 3347.566877 4784.616245 4083.427066 3546.069859 4033.82577 4964.654364 6413.889337 5127.351007 4421.690419 4700.65237 3533.116447 4252.254862 5278.76668 4640.091366 4727.829665 5266.942801 3732.395767 3414.338135 4484.863683 4094.37173 4198.343549 5172.96387 4439.019056 5216.001928 2495.323659 4786.942903 3503.272684 4108.81226 3168.316115 4697.467124 4445.272482 3432.132068 4746.121003 4697.0232 3302.794962 5794.503513 5834.936998 3324.210106 5486.438864 3832.516778 5608.599424 4876.085777 3663.081221 3708.328216 3639.976372 2748.234812 4069.666367 3052.728134 8128.540273 4769.992585 5265.017397 5503.7675 4824.479288 5183.416314 4694.318025 4440.052962 4614.352642 6370.199326 5604.851213 4161.760872 3609.169907 5010.916081 4682.582669 5286.785376 4292.688348 3311.69498 4488.116859 4968.505172 6766.886858 6869.69524 4562.244916 4793.439734 4267.658095 8038.561943 4400.119296 3732.682078 3559.109401 4977.16949 4784.629084 3831.479688 4154.932575 6875.172192 4886.42761 4094.375775 4311.942388 5811.35143 4048.162032 4433.242844 5687.598403 3439.73435 4528.985035 4807.733933 3571.624528 3205.797757 4469.547415 4433.242844 4363.928298 4151.975908 5479.937378 4268.620797 4042.38582 4695.097796 No_result_found_in_bank_inhouse +M350T47 M350.0636T0.79 350.0636444 350.0613976 350.065751 0.788876515 0.771699834 0.806116667 0 222 0 222 [147][M+1]- 16 Inf 65.78619565 0 1 0 0.237566398 0.230391036 1 525.3600531 124.8078954 0.237566398 501.5110224 115.543644 0.230391036 0.969796393 0.863940065 5.36E-08 266.9641894 807.8063646 540.8421752 0.514305223 0.52026086 0.991027302 0.522339134 0.991285998 0.970545484 0.859653827 0.774750826 0.86071785 0.774092083 0.970545484 465.4698009 677.2434157 571.8740592 561.9182984 552.2872362 473.790041 506.5017659 467.3933433 507.4556298 733.5213897 543.7024605 661.9815923 588.5340669 398.7151377 603.7958904 573.2722435 553.3900637 486.4706226 626.5065699 651.7574391 463.321847 349.5381641 501.5433097 384.8938881 473.7732954 478.3787409 595.2111147 547.1116429 645.7659049 463.5778874 415.7087281 504.5940379 502.68631 489.8304559 563.5577614 572.3183795 488.3783505 369.1453548 254.8769833 437.0406764 300.4671492 322.4060205 714.6125201 663.8893202 523.8046204 471.2087991 718.9154225 343.3910277 575.1799714 508.0053834 595.9170558 621.1844883 599.9932112 720.1672942 555.1488281 489.2894491 477.8858469 518.9019974 523.6713172 841.3080179 321.4521565 558.9420252 597.1188426 569.4567876 513.1788136 314.7751087 471.2586332 556.3610393 702.0438789 826.6982666 602.3492111 572.3183795 649.5813607 445.3037976 775.6214191 515.8727193 450.0193353 618.1848787 583.7647471 635.2734012 537.0254128 697.274559 631.9040655 511.2710857 513.9880798 498.8708541 405.3921855 465.4856153 676.2895518 662.3495775 611.1376991 375.8224025 456.3768757 490.2860784 762.1373087 370.0025737 332.1072373 416.8385531 531.302229 497.9169902 451.0503486 379.6046604 611.9105625 651.4753865 486.7137689 374.8685386 632.725645 447.3622 512.2249497 525.7894109 623.8270337 343.6224588 424.4694648 535.1176848 389.1764981 508.2597472 463.5778874 479.7935748 584.5957 648.015153 452.1315198 511.2710857 577.0876993 No_result_found_in_bank_inhouse +M353T1076 M353.1426T17.93 353.1426027 353.1390407 353.144692 17.92629727 17.91176459 18.08375428 0 88 0 84 415 20.06181416 26.93818127 0 0 0 0.671820552 0.197691024 1 1402.803119 942.431965 0.671820552 1293.027735 255.6199774 0.197691024 0.29426165 0.940797872 8.19E-12 632.5424223 1808.098968 1175.556546 0.360561897 0.351484213 0.745030178 0.358026155 0.72890136 0.980555305 0.322230751 0.477719985 0.319403577 0.483379001 0.980555305 1926.323316 465.2361356 636.3230171 1721.928649 1254.569354 1677.578863 857.2890588 2412.955058 526.9191288 740.1959191 891.7897161 3792.981348 1155.24928 525.8736544 636.6939473 782.0148976 898.5652303 1783.579432 763.5876206 925.5607522 1667.937606 2352.466912 722.1302119 1260.112399 3500.74072 2409.350333 1561.938846 1028.722211 1688.441256 605.3297135 1452.937556 3716.661712 645.057743 1062.466613 1080.785003 1897.536149 922.1084755 1754.306147 947.7356452 2010.202259 1722.941913 347.0975214 1049.932978 1742.805928 1668.901731 3273.38054 915.9194944 2725.551922 2967.056523 4850.516817 2710.157578 1414.372524 808.9015324 703.6043129 983.7914687 982.4441734 3102.968203 2757.961631 4660.725152 3498.15755 1470.982568 1459.686436 557.2378882 817.5610293 748.5597148 1415.572422 1518.498109 1356.524977 943.0179647 1164.663947 872.5338341 290.6419004 1108.20293 1303.498059 1668.901731 549.5516966 725.0225892 510.9866653 1319.388771 1301.615705 588.6021221 2031.35688 2884.664344 1118.657674 235.2466912 1081.020594 3268.153168 1748.0333 1482.482787 1248.54289 1609.125933 2281.225276 873.4979599 515.4189098 1799.261549 847.4665637 4169.844014 3543.112952 1688.441256 914.7901542 1471.255946 1013.296199 2179.888397 2393.924321 2075.762812 1700.98695 1545.493631 915.8356287 2082.585128 1182.982336 969.1548263 1082.713255 1271.296946 860.4254822 2958.692727 2464.305503 1686.350307 2515.411556 945.8073937 942.9150163 526.9191288 3511.748718 1721.896439 No_result_found_in_bank_inhouse +M353T910 M353.2155T15.17 353.2155383 353.2130281 353.2175628 15.16926962 15.14161088 15.19764718 0 191 0 191 [M+Cl+HCOOH]- 272.237 [M-H+NaCOOH]- 286.239 [M-H]- 354.22 [M-H-CH2]- 368.238 7 4.017305072 19.30496456 2.58E-07 1 1 0.211855286 0.157157658 1 372.3459365 78.88345488 0.211855286 362.2448322 56.92954955 0.157157658 0.741816082 0.721527855 6.91E-05 272.7040018 494.1254779 221.4214761 0.555927752 0.558050286 0.988024152 0.553476798 0.98773545 0.87636963 0.944531655 0.70112841 0.945445031 0.701953625 0.87636963 375.0765069 430.1784541 502.7627252 471.8983265 400.8101238 509.0240455 507.9198815 380.2230254 338.2914576 284.1251749 356.9450969 308.6732549 307.8767265 335.6594256 403.2391074 445.5402781 377.4873953 349.4831416 349.4392666 360.2268237 309.9304454 273.8469239 264.2763871 323.4428859 367.6495435 331.8705351 344.3312407 398.8729851 271.3685754 416.9548366 391.3335833 313.2658084 354.3447117 350.4788578 406.9927271 357.2214186 468.1463963 606.1156108 325.3745279 419.5125259 445.773171 409.6003351 473.2616675 279.2584684 304.2680657 313.7785187 494.8416256 463.8528836 397.2780489 316.7428031 313.892295 464.3669098 253.8123981 329.0523124 478.5775032 439.3797277 252.9294615 373.9516039 335.1602688 366.3514186 327.5590507 321.5797801 272.8404692 284.7526301 491.4066253 384.0154781 270.2088996 358.2519145 340.4847896 333.8876438 352.0733043 449.5712917 416.0061261 277.5378346 358.4017395 351.4319675 399.6716704 298.0473939 340.2372292 451.1692855 409.8744296 308.112804 436.4656778 589.2930122 362.4604598 306.1375393 372.5043532 446.252219 407.3376053 274.2426934 363.2929163 300.4190105 396.2383324 449.154488 322.5192175 309.5131757 445.3690814 388.8128642 380.5711641 255.248929 201.0748996 317.4734728 299.4599216 438.1191002 349.9606093 419.7612353 482.9914586 464.8401214 450.8520786 249.7727078 494.289399 341.981434 359.3682266 433.4649 308.6548237 441.9235871 313.709928 379.2281399 346.8163012 348.1547365 373.4994829 521.3110833 263.8828203 No_result_found_in_bank_inhouse +M353T880 M353.2157T14.67 353.2156535 353.2141397 353.2174721 14.66935173 14.65030307 14.69134795 0 107 0 107 20 4.060976817 25.20109543 8.43E-13 1 1 0.253355965 0.195201542 1 301.7275743 76.44448071 0.253355965 301.6764814 58.88771431 0.195201542 0.770463573 0.907616945 9.35E-10 174.3391363 512.9948335 338.6556972 0.550839148 0.549625314 0.812332331 0.54588624 0.810685871 0.895228214 0.690154932 0.448460741 0.688259785 0.450292845 0.895228214 367.5932006 332.0535354 387.2617706 363.1397031 196.0224796 211.9538954 392.1962739 274.5637771 255.5161318 287.3166238 360.3488729 120.4604365 240.7778148 424.591904 158.9119992 244.0683192 386.8636075 264.1535728 346.8506182 447.8902717 340.5083522 328.798144 210.6962329 334.500801 321.7120164 264.8138234 193.2690464 363.4787579 242.4583386 225.3373238 327.8420894 277.5436561 210.4006213 321.0471463 552.9084937 200.1165472 217.953122 259.810788 401.4792221 371.5139898 228.2624222 363.6411036 271.6105543 196.8497314 361.0732316 270.4579008 305.7151951 325.7760804 243.1821904 318.8451265 474.537757 306.3172902 156.7696244 325.0457959 225.5451441 310.9938536 280.4834541 375.7902882 234.8599488 170.3665649 509.4391801 405.6438363 323.3591447 220.0543747 400.4775777 320.3084119 318.9997773 281.6642785 237.9440742 353.4887076 249.4460989 440.4946774 259.9631307 309.1167051 330.5420334 308.3811933 235.8280293 292.2255569 386.3256223 213.3045277 469.2185175 367.8778004 419.2584839 335.5989833 276.7783893 197.1097196 203.3729599 395.878918 370.5617137 259.457841 323.0976542 204.5325841 393.9701683 180.9443633 268.2571134 274.2992806 316.8196721 461.2394933 197.6881534 333.1738715 294.2436683 269.7530473 511.1985099 362.1903422 405.2530677 275.8822714 290.6268445 318.0398209 304.0388278 303.0695233 352.1028055 320.3085295 326.6910492 343.3578027 234.3003128 234.5934406 253.8172787 155.1394014 216.1754972 328.2138182 246.5224851 344.4393538 261.8217036 No_result_found_in_bank_inhouse +M357T880 M357.2283T14.67 357.2282717 357.2267622 357.2309636 14.66531491 14.64928497 14.67853675 0 70 0 70 523 4.231436324 23.67556762 7.42E-09 1 1 0.2577901 0.228855508 1 330.4973976 85.19895716 0.2577901 348.7452091 79.81226186 0.228855508 0.887759102 0.907803778 9.16E-10 186.1940959 568.8901533 382.6960575 0.323826575 0.31274457 0.745030178 0.305853564 0.72890136 0.855709492 0.221566903 0.523209232 0.213455807 0.51046164 0.855709492 355.5462838 580.8408311 408.7867569 297.8023457 367.918082 337.6624966 228.3767473 295.1978547 333.122741 338.189529 225.5639119 515.5089209 340.6505098 347.2774521 318.6914721 263.1391094 279.201342 500.8466279 302.7631637 309.6393544 357.9396717 363.5678675 201.9289713 264.2861884 213.212096 338.1660862 338.6193612 430.7175781 418.8498465 244.9548595 332.5009026 356.4044042 267.1461447 319.0343943 250.4216799 228.5333668 479.2806276 370.9782006 374.1097802 371.2100349 281.7658606 399.3005187 252.552284 210.3302687 489.1610081 307.7258913 398.6841524 349.7056631 350.9345654 221.7354537 434.4569525 521.6384606 267.0635821 328.9604458 245.2768052 249.1130059 494.5369685 322.2936416 194.9018935 316.0550381 421.4369689 447.2729572 439.8369506 284.2208863 356.847643 353.3450214 455.6706437 351.9485662 341.2213344 377.2071746 352.9102413 470.4368089 343.2921117 503.0495674 330.0595478 291.6468826 285.8098208 319.144802 276.8069009 349.7139133 383.4801162 417.2959224 275.4982053 371.9643433 445.1576859 469.1647789 317.6951819 381.7747138 374.5168097 285.7559689 365.3937287 273.1440445 276.8118486 355.5474408 187.1290805 387.4806849 198.0489438 492.1660335 293.3003896 286.5645112 217.0380216 320.610387 418.2199963 291.8623434 348.6832216 328.810271 245.6361963 266.7664058 282.2442998 418.110359 245.1058071 241.312867 457.5810958 373.1328415 484.5872195 381.8126754 274.5026579 333.0237481 269.9932083 253.1980873 303.4614771 262.6015708 434.0004941 No_result_found_in_bank_inhouse +M363T47 M362.9408T0.79 362.9408195 362.940045 362.9421408 0.787585654 0.769987258 0.792498214 0 220 0 220 [M+Cl+NaCOOH]- 259.984 [M-H+NaCOOH]- 295.961 [M+Cl]- 327.971 [M-H]- 363.948 102 Inf 48.81205749 0 1 0 0.264118345 0.263208705 1 6220.091752 1642.840341 0.264118345 5604.997192 1475.284054 0.263208705 0.996555938 0.957186458 2.50E-13 2551.677769 8457.777339 5906.099571 0.230424206 0.220311068 0.715391897 0.211480655 0.695696123 0.749653067 0.068823722 0.999878042 0.06062989 0.999878616 0.749653067 4540.345872 5571.109077 4897.91223 4590.745083 3193.797167 6455.948225 4656.141728 6384.158912 6274.225413 8010.258581 3241.893073 4711.108478 6972.761186 2629.242845 6522.720926 3870.575269 5760.048797 7918.647332 7155.642988 6750.43645 7035.754396 4438.439078 8481.706712 5667.755991 8604.919268 8984.387796 3967.912221 6667.950734 3469.776054 5875.71648 7870.381262 9627.197125 7284.239433 5725.306973 9427.649018 7604.878804 4774.091211 3836.22105 6573.974094 6616.127034 6111.615446 4207.246608 6512.546622 6238.726054 4157.185924 6632.654425 6122.50915 5989.085401 6939.552109 7730.754842 4774.199763 7398.768126 8465.602377 6613.187034 3620.934615 7526.007833 3812.173097 7050.630748 4601.174979 7330.045057 5381.015736 4089.366263 5699.364826 5726.848201 4474.064371 3887.752378 3896.015449 6374.542686 7486.929321 6347.144797 4686.780807 6103.599462 6465.463895 7579.770771 5009.523765 7730.550817 7573.972832 6881.882012 5163.43902 2405.940426 6162.001633 6195.210711 5635.709481 6331.482444 8923.480242 6948.713234 7798.407568 6275.370554 7260.19148 4947.126706 4745.889241 2817.045906 6221.205016 7822.455521 4280.535608 8538.667389 9575.041139 6739.152502 3383.890508 3521.307382 6713.929046 7158.871889 4248.017403 6671.064859 9995.191567 8779.793072 6159.357668 7117.048904 8494.65306 4813.486526 3725.142411 6467.803685 5897.474152 6283.386538 6157.421071 7424.042596 7436.543134 8154.546298 6383.782662 5551.233642 3017.445513 3931.267721 7402.188916 No_result_found_in_bank_inhouse +M364T47 M363.9426T0.79 363.9425957 363.9412305 363.9442313 0.788183582 0.769987258 0.790284028 0 92 0 92 [3M-2H+Na]- 114.326 [M+Cl]- 328.97 [M-H]- 364.951 16 Inf 46.57142149 0 1 0 0.307678741 0.260386516 1 1224.819722 376.85099 0.307678741 1085.956572 282.7684485 0.260386516 0.846293492 0.95733332 2.41E-13 392.241813 1692.47592 1300.234107 0.538538467 0.526731249 0.745030178 0.516848503 0.695696123 0.469878539 0.179947901 0.825522489 0.163625264 0.826905887 0.469878539 901.8642675 1137.220572 1133.054139 998.7274409 636.5212312 1103.73928 907.0139786 1444.546375 1464.113935 1687.414331 606.594374 729.7549015 1095.783385 757.3796928 1298.365188 721.6976708 1144.066025 1758.778375 1600.332737 1039.927321 1648.338293 919.2772265 2120.296625 1243.354343 1530.355841 1919.746986 874.7850555 1522.778483 536.381363 1262.683166 2240.162693 1934.886419 1305.271385 1175.255505 1415.410193 1626.409583 1153.335034 779.2493192 1138.187879 1555.787925 919.6753412 801.1189455 1507.061444 1475.624265 975.1729925 1261.532133 1468.71361 1193.621188 976.0759566 1498.120567 991.9517856 2014.935868 2038.841787 880.5402203 1190.168089 1920.733274 962.263561 1214.339781 933.4877368 1692.018463 1104.991649 870.1248999 1355.916836 1266.136265 695.2239125 994.4924841 953.8368902 1688.317168 1909.563693 1444.064631 1064.51532 1083.122023 1058.95033 1109.657896 1146.163226 1306.834105 1415.865481 1275.256548 819.535473 544.4385937 1237.36044 1237.36044 769.1364963 1275.344528 1672.998524 1452.603605 1229.30321 1338.651341 1450.301539 1173.146344 724.6976327 376.3877804 1268.133923 1137.220572 595.0840443 1553.837426 1627.039268 1281.099693 667.5991213 445.4497585 1149.469565 1684.556932 818.7556534 1403.952805 2332.55542 1611.446155 1570.245422 1339.802374 1497.493891 1032.121665 712.489407 1044.211461 1107.293715 1032.476572 855.217495 1381.117331 1103.840616 1776.043869 1313.00129 920.9924968 514.5117366 1020.966242 1148.730902 No_result_found_in_bank_inhouse +M367T910 M367.2311T15.17 367.2311176 367.2282158 367.232916 15.16868526 14.90464401 15.32550276 0 186 0 184 [M-H+HCOOH]- 322.221 [M-H]- 368.238 7 4.639864788 17.21593377 5.17E-07 1 1 0.202153433 0.192091271 1 360.7417522 72.92518357 0.202153433 360.8636875 69.31876442 0.192091271 0.950225126 0.744385132 3.03E-05 232.2216842 522.3346644 290.1129802 0.091061537 0.093024247 0.907981747 0.09555699 0.905542086 0.94309074 0.328446625 0.595091994 0.330993197 0.599350849 0.94309074 388.1035962 424.227478 268.1888909 359.1528214 419.3989565 395.7970631 547.00206 450.6862609 355.6997515 352.5465093 399.9967546 383.415246 289.0132637 411.0369665 409.5226583 338.0065345 306.8841585 375.5308911 314.2100992 344.1301543 413.7814265 458.3178803 344.3141795 452.3555076 339.9423435 377.2095447 491.6482296 335.9687739 330.1460188 279.6219753 360.2537013 492.8785886 203.3027936 275.7281228 351.4974376 356.0295722 495.476459 498.5662469 477.1443138 321.5872329 202.5005584 271.3842702 390.56712 341.4909569 463.1082789 391.1771498 427.4688466 255.661766 242.9271152 377.3581646 362.2039062 349.8897627 256.4007598 363.6936743 384.5841769 384.8298084 310.0085871 281.0672841 331.2525892 445.8272043 287.5501405 352.1783587 397.811031 530.6094352 276.8515281 412.7201311 405.3571261 357.3714903 321.2358507 388.2475524 356.2061718 356.1803672 345.5368948 411.6987993 383.0887883 343.9327718 393.9216679 486.6321504 343.0685992 313.6809883 414.5130739 274.8527034 367.8617461 499.7738454 361.7701186 319.9687161 401.0076879 455.4131662 398.4612495 360.7967211 256.8518177 406.6426475 401.9142514 254.4235545 253.6160129 370.2581179 299.7435724 286.8119219 339.2986968 302.7102818 361.7270026 430.2443538 367.5656646 421.0199474 466.3591137 463.3011966 310.8947426 332.1320318 189.678093 284.5563803 349.4351783 345.0786324 347.194243 360.5042209 245.6115305 389.9553564 542.6830556 384.0913197 336.2298731 319.9917002 276.0649618 323.395169 483.1839863 No_result_found_in_bank_inhouse +M371T1080 M371.2204T18 371.2203592 371.2185573 371.222518 18.00374347 17.98640186 18.01970302 0 127 0 127 [159][M]- [M+Cl+NaCOOH]- 268.264 [M-H+NaCOOH]- 304.24 82 14.69899099 50.02912885 0 0 1 0.275362269 0.157555487 1 1030.24425 283.6903942 0.275362269 1043.278916 164.3743181 0.157555487 0.572175295 0.896718098 3.03E-09 690.5168353 1453.456257 762.9394217 0.98418722 0.984412683 0.79145929 0.984532799 0.799360927 0.896173123 0.477068809 0.840052954 0.474349668 0.84094756 0.896173123 776.8241055 759.852821 500.9685146 1391.271676 1061.0436 689.1776803 1042.88164 1262.58161 801.8902198 1171.773034 627.5150103 1096.508957 815.2163541 504.4934932 582.7816711 960.945276 1323.922318 1236.76989 1217.824013 561.8597152 1142.171309 1064.673418 1434.633591 1055.447478 1922.685791 841.4056819 768.4126765 1196.604352 1078.087891 472.1008749 1236.275892 1420.500784 814.6725112 944.7362043 1195.681759 1587.517881 897.1352479 866.9609144 703.9391835 613.5249764 1352.640249 762.8562287 1334.993445 984.8503886 1468.769568 990.5855825 1124.642024 1001.851086 1180.825183 1285.173372 937.3554527 1017.621126 757.4496325 895.7213105 977.5146417 941.9684224 1073.760264 1300.678503 1275.365441 1306.39467 956.913523 951.1943619 946.4455218 1231.342837 1156.694138 887.1488289 938.2780466 842.3282759 776.2088536 1432.788404 534.1818968 937.5347523 1278.555314 1179.997661 1111.725709 1073.899357 798.0437663 781.4370752 1038.760654 989.5063254 993.4709905 1151.803364 1230.740329 1176.54869 880.1546278 756.6079083 1262.531407 1092.616301 839.0192729 1018.54372 1401.420209 1033.486615 763.9077902 861.2350924 801.8445384 808.1922998 1200.294728 938.8372669 761.1952011 402.5374129 1037.918193 648.5835465 1451.240283 1941.13767 1658.823921 1076.334063 1549.957835 1098.161678 982.2745915 1155.087625 595.3255003 1298.089687 1682.389985 1509.992843 910.9694094 1058.21526 1445.484409 871.2730451 1680.966176 758.3722265 567.9155992 864.1145617 527.9080377 No_result_found_in_bank_inhouse +M372T1080 M372.2238T18.01 372.2237792 372.2222241 372.225998 18.00646177 17.99485077 18.02233649 0 69 0 69 [159][M+1]- 82 12.70397232 22.26383309 6.02E-09 1 1 0.362348909 0.262853564 1 286.8264596 103.9312547 0.362348909 279.8001432 73.54646474 0.262853564 0.725415634 0.913544337 4.64E-10 138.9084479 417.4978926 278.5894447 0.508063507 0.497466197 0.745030178 0.496968044 0.72890136 0.895228214 0.183362278 0.902843964 0.179322679 0.905553463 0.895228214 168.2859588 98.02379095 371.2853288 393.4794238 245.1088591 235.5388626 171.7048023 199.5195595 217.2415555 351.9856726 153.090448 367.680039 438.5266468 258.8412432 394.6994716 580.3355704 226.1051368 439.5546783 262.1948681 111.5932435 249.0532858 362.1832874 357.254122 245.0816384 384.1632476 295.2347601 270.2436947 264.8929735 368.5059 187.2307332 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5250.248368 5676.031079 5414.946004 5071.709925 5539.728582 5573.647951 4998.460905 6242.54543 4798.504147 4904.278957 5182.86722 5938.798595 4945.633093 5154.920943 5198.910356 5151.12294 5537.012161 5692.886616 5236.784406 5001.436876 5187.738192 4599.177667 5586.016778 5889.564996 5343.913391 5783.177453 5757.605576 5516.96985 5918.156467 6096.674184 4532.822827 5235.793404 5941.253037 4418.793471 5512.785146 5224.594781 4647.812134 5361.826999 5429.746294 4655.737066 5322.687803 4998.056442 5572.982379 4835.482866 6156.428039 5164.625662 5382.907349 5416.435966 5894.016919 5400.08456 5118.02755 4853.226014 5245.538116 5058.851416 5203.276578 5481.437747 5469.888548 5240.412218 5318.177982 5922.821733 5122.344646 5386.307765 No_result_found_in_bank_inhouse +M391T49 M390.8915T0.81 390.8914535 390.8900049 390.9046351 0.80866048 0.804216667 0.90850091 0 74 0 73 16 300.2395029 40.61006316 0 0 0 0.399796069 0.20658962 1 2501.376604 1000.040533 0.399796069 2363.65309 488.3061943 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2732.406695 1735.238252 2103.05548 2504.276026 4927.003081 2569.158201 2149.665752 517.1649997 2638.470537 1876.658621 2603.373511 2163.628422 1856.953243 2487.124122 3451.024551 3234.752888 2044.917893 2765.85355 2624.018821 2060.174029 2054.580797 2458.225754 2209.3269 3066.860707 2885.181984 2734.158565 2557.953831 2392.039167 1471.952395 2380.40417 1930.336426 1861.61427 2302.547445 2635.344788 3908.157063 1234.5895 2582.728202 860.9094006 1542.20461 2290.428774 3834.866215 1948.309376 4105.432772 2696.277403 2295.089801 2105.821555 1620.17306 1975.343334 2171.106477 1011.620159 1263.138376 3948.822257 2712.793651 2675.632094 3592.719778 1610.851006 1797.292095 No_result_found_in_bank_inhouse +M391T1051 M391.2854T17.52 391.2854406 391.2832985 391.2868431 17.51817392 17.31396365 17.73911754 0 154 0 134 530 14.9491602 26.20753332 0 1 0 0.513199561 0.244873328 1 516.508825 265.0721023 0.513199561 479.856712 117.5041099 0.244873328 0.477150306 0.965058326 2.78E-14 297.3007743 788.566896 491.2661217 0.911160673 0.912049334 0.907981747 0.909714414 0.905542086 0.833760387 0.841254036 0.902843964 0.835719543 0.905553463 0.833760387 944.5923099 611.2793877 764.5269337 681.7459691 701.6220228 850.2956697 590.1603302 187.7249559 726.2609232 290.9736817 1072.378811 178.3387081 499.8176952 269.8546241 1881.942683 377.7964738 218.2000255 796.6577817 665.0087677 719.5956776 630.9422594 594.3676217 549.4550544 634.6407204 452.7389119 142.0984273 213.5371374 189.484927 356.6774163 532.6695624 215.6614663 449.3666133 449.3666133 440.2748983 398.9867489 634.7450072 336.7316397 626.5320404 145.1038754 355.8080477 415.341465 258.1218144 762.0577199 396.5689694 408.8186673 526.8031576 1328.708454 42.23811508 672.2899984 423.3969202 286.6467195 799.3592741 535.8025526 531.4962815 550.2687771 751.604812 262.8149383 525.6298766 259.2950954 306.2263344 316.7858631 467.8730837 455.2330181 341.4247636 485.7383235 394.2224075 522.4467692 474.4400589 442.3269274 677.1993102 189.2517001 573.7343966 588.9870492 542.2427349 634.9298272 372.4606366 251.4242506 1123.748539 654.6907838 471.6589518 1050.086472 664.0770316 691.3613556 542.0558102 359.4740834 371.9300689 294.4935246 1133.389421 276.89431 721.9118632 362.41192 567.8679917 652.6511994 997.2888284 666.4235935 540.9104175 285.8341547 310.9194583 252.2554095 590.1603302 317.2721668 926.8026684 330.8237612 410.1066444 305.2001839 466.9658279 540.3656202 466.9658279 377.7964738 300.5477506 339.0782016 422.2735303 100.9021638 403.6086552 397.7422504 225.6237468 645.304536 463.4459849 585.3186729 425.0906049 78.6098253 639.4381311 258.1218144 No_result_found_in_bank_inhouse +M392T882 M392.2888T14.7 392.2888244 392.2869929 392.2908365 14.70311635 14.46569063 14.72639691 0 81 0 81 968 Inf 16.96540455 0 0 0 1.157473694 0.235741467 1 994.4044598 1150.997004 1.157473694 965.2073966 227.5394079 0.235741467 0.203668963 0.880009831 1.45E-08 487.9315213 1709.102627 1221.171106 0.359921384 0.360560463 0.858784823 0.361280026 0.860184011 0.896173123 0.550231234 0.68415557 0.554466205 0.684369502 0.896173123 144.1931711 577.5777401 1243.782386 2622.455157 490.7318118 1861.487325 352.6153957 2560.385381 348.4300498 972.0465953 619.4311996 305.5302538 985.6489696 354.7080687 1466.963753 2452.612723 741.4319831 533.6316077 2962.937097 240.011859 117.2150939 227.9182382 253.9660369 997.258577 246.5238087 306.0616342 708.3698009 685.6152717 635.1262469 1073.541234 672.5913723 1136.321424 3774.135704 1014.933869 1336.810238 988.787979 698.9527725 138.1164161 1132.148963 200.0098825 522.1219064 833.9301791 813.0634293 307.6229268 324.6672046 761.7329616 506.0715167 602.6898158 1285.947541 386.9958657 1247.5035 384.2050301 80.93423153 8030.632528 452.0173618 1558.216526 1637.5166 911.3590791 166.3675012 126.6067148 840.2081981 894.9279394 1922.120124 47.08514186 1207.472305 1076.680244 94.88840937 333.9699899 614.1995171 859.5773555 1124.706735 2092.672972 476.083101 240.011859 1117.264506 58.60754697 2758.275822 575.8424059 272.0474863 699.999109 196.7112593 320.1789646 184.1951476 417.4882578 623.2866106 360.9860876 670.7016874 267.8621404 81.61424589 259.547708 1183.314282 1145.738452 909.8123958 703.1381184 569.2070482 0 493.0476173 750.2232603 87.8922648 544.0949726 869.8104193 1791.716436 368.3902952 1128.427849 341.412218 1024.36342 1161.917876 1122.719049 5533.027337 39.07169798 1284.901205 94.88840937 725.1111846 709.4161373 237.5183823 892.1371038 1184.452902 139.1627526 191.6373758 880.9737615 2396.110552 2801.042772 156.9504729 No_result_found_in_bank_inhouse +M395T1067 M395.2205T17.78 395.2205398 395.218438 395.2226687 17.78356558 17.77536835 17.79786391 0 140 0 140 [M-H+NaCOOH]- 328.24 76 9.89380531 36.32758978 0 0 1 0.392171395 0.180872825 1 879.8763205 345.062324 0.392171395 855.5265887 154.7415107 0.180872825 0.461208612 0.912993474 4.96E-10 566.4691113 1211.098578 644.6294669 0.630816661 0.633205829 0.907981747 0.634852453 0.905542086 0.935378395 0.97271443 0.599710446 0.973061143 0.601118346 0.935378395 1348.923132 650.99817 659.3051262 1136.732976 316.5424083 624.2558594 994.0149844 805.7769127 579.5847436 1061.837454 798.3527025 1051.509352 735.7043933 446.1129649 650.461332 800.9821886 538.0536087 1132.43816 715.1944975 1110.209207 1281.666431 684.8816181 410.1711489 923.5955431 1253.248106 1167.045855 1268.497671 433.8530859 450.5314475 1834.905607 875.2843916 1094.223236 783.723479 578.7865403 521.9498915 1007.233762 755.2947632 662.6079878 509.6352843 759.716539 402.3363778 561.2535866 702.8798902 672.3912049 1141.469364 755.6393446 521.0026141 1251.826921 1874.509181 1082.73816 620.4667495 567.4192106 513.4243942 1287.044735 971.0521955 825.0786852 1127.133696 1661.386413 953.1305031 1308.461708 918.9493651 1108.314652 722.0372868 1289.316367 946.6814582 1595.767924 827.9205176 655.5160162 724.7559413 357.12361 625.2031369 579.2713433 928.5620296 963.3811973 913.1754908 725.6145498 983.2740243 786.2403085 1374.644676 878.93181 671.5764506 713.6901088 802.3440256 993.5301673 608.1521422 690.5018875 1455.108233 838.5133316 920.1012694 586.3647602 1281.666431 312.3940399 1078.001772 602.537044 2020.928147 737.929157 1509.013026 1036.825129 892.6153664 692.6840253 808.974968 1072.318107 1747.726951 1476.805591 831.7096275 907.3246902 376.0691596 723.9488868 861.7241729 991.7995217 1248.996511 513.4243942 770.1561613 1150.533839 963.354213 852.5497321 1234.860501 436.2600702 1827.298259 910.3336584 776.1642446 945.9122296 806.7437263 No_result_found_in_bank_inhouse +M395T1091 M395.3166T18.19 395.3165691 395.3149998 395.3186042 18.18874069 18.17188022 18.30210876 0 69 0 68 512 3.525090997 13.62104978 1.39E-09 1 1 0.582960294 0.205396855 1 327.6708468 191.0190933 0.582960294 300.4762266 61.71687183 0.205396855 0.35233421 0.873705796 2.48E-08 174.6984455 413.8613092 239.1628637 0.939074556 0.93931305 0.917465563 0.940492528 0.917754402 0.927138791 0.958402642 0.825522489 0.959581482 0.826905887 0.927138791 388.3515157 442.8025276 225.3871264 600.3831616 435.5004488 384.0273352 396.6232687 123.4938401 750.2959176 215.0875192 407.4177621 217.7246464 392.5237795 315.4758093 477.6430977 363.5545418 339.529366 307.4995657 749.3655086 227.1387163 234.1642015 303.9686625 139.4547242 261.3165619 244.2784294 123.5530961 366.2525907 84.08306775 110.404703 573.482202 270.0465117 320.9070878 323.1028365 148.9472657 308.2842736 926.4899063 146.6786292 403.490285 381.3074357 109.2055041 508.7077901 233.9431382 304.6253988 216.352316 262.9185461 862.7178541 482.7147446 77.2863596 638.2814877 336.3567878 263.0788834 493.9903356 297.2732837 271.3343199 406.8250716 685.9383809 402.2425162 450.786204 418.2699969 205.3539815 150.2842121 187.9074256 195.7026527 116.7159382 368.7586111 242.8495602 341.9237702 193.7256449 548.9801846 288.2203107 142.7565987 421.9258044 730.6811986 262.2988012 132.0307607 211.4193475 276.5950306 292.9162296 369.0115031 481.5102332 579.9711488 354.3929469 290.6199497 707.2340509 129.5207841 383.3739538 528.5472193 1021.497556 406.6616865 315.331813 220.1191967 584.1598391 416.5566435 874.8741646 403.678983 243.442291 322.8398357 116.3661977 296.6918855 130.5955146 435.0236542 167.4329494 124.6040178 253.5602247 501.3277731 299.1260401 451.3513989 216.9571422 233.1872986 119.4784712 111.0533687 143.3470892 302.5051804 150.7509299 299.5090313 134.095323 774.8449764 151.5432356 416.6277645 175.2873399 83.7627773 819.4811438 209.9601004 No_result_found_in_bank_inhouse +M398T1092 M398.1323T18.2 398.1322962 398.1300068 398.134255 18.19529157 18.18597731 18.21174157 0 84 0 84 513 6.494280164 20.94148414 3.20E-11 1 0 0.313379089 0.23290689 1 521.617445 163.464 0.313379089 532.524613 124.0286513 0.23290689 0.743211329 0.919751118 2.11E-10 254.7249192 905.2723845 650.5474653 0.47776427 0.478805493 0.907981747 0.478047566 0.905542086 0.896173123 0.62396837 0.913996348 0.625982701 0.913037985 0.896173123 717.246729 542.038064 775.3119613 756.4732673 455.1352222 521.9915673 483.1208831 746.7752675 945.620753 369.70531 536.1463459 690.8039457 549.4027116 425.6766318 550.8756411 408.0014775 519.3798564 702.5873819 635.012244 513.5119248 601.6426176 497.3417307 279.2759131 505.5391801 561.9003232 367.8530942 296.0588339 215.2468805 419.7849137 762.9774923 629.3488527 770.3421399 593.5905973 265.5736118 436.7004124 986.8627796 807.1653779 681.9663686 515.9855746 543.2665402 980.9710615 306.3693405 463.4392094 463.9727993 521.117387 833.6781093 652.6342011 402.1097594 826.3134617 579.4711518 451.1460859 683.4013634 231.2517583 443.351786 639.2514124 627.7661483 723.2083952 612.738681 648.0889896 631.8867648 431.5683499 526.5188887 396.2180413 275.4378206 465.4457289 405.0556185 677.8256428 370.9092577 435.9871384 463.749645 439.1674753 586.2259497 692.2768752 521.100163 313.1670143 480.4143365 316.222488 371.9113222 602.4281744 742.356479 630.4138353 491.9584603 508.3772743 443.351786 230.7083232 572.969584 743.8294085 1028.104806 586.2259497 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331.4713364 173.6658489 424.9511175 200.1161358 796.8739435 366.9309627 251.1258251 393.653113 472.9672596 317.5251694 276.25052 360.1470161 272.885262 271.2600796 182.3945913 87.63934443 104.6160221 177.3755474 125.9342793 479.3554749 186.4287112 281.3656436 181.3069896 217.8509811 229.9999191 783.7081158 316.4762393 449.6166381 82.04781677 298.4815253 199.5387691 270.837156 231.5508457 208.6870968 164.5693563 528.9109888 457.6595635 89.85427448 444.502148 490.9491859 146.8941669 365.6313458 254.6206799 734.9315333 288.9493061 465.6806699 281.1507998 320.5421764 195.0742045 191.1528217 79.6865576 259.6804283 217.080781 99.79384236 498.9134699 162.1879702 164.3166721 238.2442696 366.0074593 150.6480582 95.1408176 480.3773701 491.8223933 234.2007417 213.6850237 238.0153783 251.4598533 203.5453349 409.0566204 255.132599 519.6779999 277.1126655 381.6272824 266.2418295 200.0749145 289.5634517 239.3996538 380.0997691 209.7489452 405.4379374 163.179154 456.6787345 284.9272638 242.7280013 694.4429906 267.2898675 364.7624244 209.2591792 273.7577692 277.3909545 311.9835133 373.0566584 175.986325 434.8333067 107.7063803 194.6948606 347.3322071 318.6688764 195.323251 126.2082748 137.5193831 236.4158661 117.3639965 98.02037393 498.3612531 372.3236514 786.1516387 188.578759 435.1056927 189.0117458 103.1392706 448.9492292 111.1362874 No_result_found_in_bank_inhouse +M403T47 M403.0323T0.79 403.0322757 403.0307959 403.0333599 0.788876515 0.771699834 0.8062 0 278 0 278 [180][M]- 16 Inf 65.19534638 0 1 0 0.258061101 0.143050955 1 2121.637754 547.5121757 0.258061101 1964.130059 280.9706801 0.143050955 0.554329784 0.894099079 3.94E-09 1449.390103 2958.269405 1508.879302 0.155900032 0.160796769 0.968867914 0.160161659 0.96870168 0.895228214 0.619835123 0.527705516 0.618512841 0.524444844 0.895228214 1961.182466 1824.162649 1845.571658 1896.233286 2101.214492 2021.1443 1173.900077 2054.563151 2399.211835 1468.089147 1296.716873 2134.536879 1836.539536 2418.253199 1638.509353 1598.522489 1293.375645 1827.018854 3726.458286 1887.005273 2069.257872 2074.319848 3043.581356 1647.531071 2923.980968 3047.367679 1817.498172 1429.117674 3429.349615 2245.928857 2435.200553 2205.941993 2169.763402 1494.574169 1765.261655 2426.821813 2106.926901 1596.618352 1583.820508 2012.131121 1806.073354 2486.802109 4249.368648 1839.39574 2058.036407 1757.517876 3284.743203 1598.522489 2695.305042 1862.310137 2208.339723 2314.067164 2144.12768 1648.982103 2295.436403 2073.840902 2639.133019 2577.248586 1465.232942 2602.954428 1405.252646 2756.795263 2142.153424 1637.557284 2236.408175 1827.970922 2056.980749 2335.632832 1590.905943 3052.231616 2134.885543 2102.16656 2657.222314 2009.572374 2589.875841 1854.074755 1380.067421 1955.174011 2583.913064 2409.684585 2572.488246 2678.167814 2274.498243 2108.831038 2138.871445 1705.154126 932.0747566 2070.74831 1611.851443 2211.719064 2340.216946 2228.791629 2292.320885 1552.823216 1823.210581 1651.404551 1226.174039 1883.190877 1579.481125 1500.459465 2523.548467 1404.003459 1950.9852 1858.160091 1896.801349 1821.306445 2976.88448 2000.295264 2323.998448 1818.844794 2171.667538 1839.755945 2138.345152 1677.544148 1869.861922 2278.196563 2104.070697 1660.406921 924.9851104 1993.857766 1441.431237 1610.899375 1390.019555 No_result_found_in_bank_inhouse +M408T1092 M408.1608T18.2 408.1608462 408.1579842 408.163753 18.1993314 18.18343509 18.32715562 0 137 0 135 514 5.183430616 24.09692999 0 1 1 0.310400136 0.248971724 1 391.1789163 121.421989 0.310400136 404.3017186 100.6596958 0.248971724 0.802099273 0.825495906 6.86E-07 218.5372448 666.7533087 448.2160639 0.186738714 0.185455402 0.853058507 0.176406639 0.847427448 0.765470316 0.548745815 0.44026872 0.541658544 0.429814277 0.765470316 521.6898849 424.2319792 388.4386386 401.7588147 439.2570462 418.6424629 460.9819603 648.3298574 536.9152032 433.5366884 169.1193921 458.6932086 290.6677076 237.6004024 685.1291756 415.2471304 417.0005943 480.2272797 429.8212905 363.9550389 451.306544 434.2329909 345.7535036 455.608737 413.0752497 264.0612195 269.6712645 351.1838224 351.3017644 410.2727711 365.5380593 425.3574697 303.8162381 271.5902056 519.9346118 568.5168651 394.0628841 351.5023196 309.1713663 338.975482 495.0536885 305.1414543 522.1223937 465.9996904 555.2793301 359.7491243 302.0518031 284.458906 525.5571849 498.9025257 357.1262695 411.2378669 276.7926584 243.7580674 487.3945025 406.2541869 761.6888239 375.6436177 611.9432412 537.419603 285.7787399 439.5770844 149.0821681 309.7495963 478.4168654 314.4886381 433.9839143 294.3278159 341.6762668 280.4723353 462.9014165 246.4411448 561.2735144 311.0810672 374.3786064 330.1933769 202.1321861 356.6511469 462.7064926 415.9235865 225.7778823 557.9499445 329.8020623 502.4161517 203.4706804 350.6773067 397.585103 569.2333199 422.4963867 429.2917572 444.7242558 316.9387289 330.447886 375.5857553 289.7517381 330.8751993 384.4396999 696.4853735 538.1891308 306.6382127 568.159459 385.0813078 406.4438402 412.8905823 467.6711801 231.2917034 449.0500376 216.0557785 376.7525701 271.2296788 251.5564362 382.872836 383.5865668 312.0179097 417.1355757 359.9868926 479.3732919 373.9122933 397.7286496 331.2205542 291.1355913 493.3486366 418.6014538 No_result_found_in_bank_inhouse +M409T910 M409.236T15.17 409.2360337 409.233153 409.2385945 15.16938881 15.15009574 15.18542006 0 172 0 172 [M-H-CH4]- 426.268 7 23.77702764 26.96676676 4.24E-14 1 1 0.213691492 0.174784002 1 393.3744779 84.06077895 0.213691492 385.4020615 67.36211452 0.174784002 0.817926817 0.87390309 2.44E-08 242.7587981 547.5376999 304.7789018 0.617905449 0.616199391 0.828852751 0.617171734 0.82588821 0.896173123 0.545535125 0.996939174 0.547402106 0.997126253 0.896173123 288.8663495 406.5212185 313.8991295 382.9511701 303.0594172 321.7446666 300.4355494 475.0176852 326.4512283 369.6545249 281.6958874 507.2064865 339.2075561 325.2792987 284.6023972 505.2134875 420.1744796 359.6511376 412.6430083 440.9394924 402.4207769 324.8171111 337.1447594 509.3777339 478.1130416 540.3645035 346.5256677 500.0142979 603.4932602 373.6766196 328.4953326 337.4803474 340.9879427 463.131338 379.3992818 362.4835261 444.6907231 396.9460123 301.3124274 402.498277 581.3735709 425.2478139 475.8320044 491.6502856 412.1328236 441.4407165 378.4368115 404.5921353 408.6190643 287.6983944 457.0490732 429.4594609 330.5179031 433.5655561 355.8916307 306.786661 287.2340608 464.843425 412.7554678 355.1092035 464.9813475 441.7055965 357.3276847 336.1741804 340.390306 467.2504863 403.1284817 237.8789484 548.0084057 587.7083127 333.3073238 460.8454487 387.6763173 353.2436858 443.8593158 234.3330858 468.2358459 307.6664485 346.2449624 338.1549308 381.8631591 445.7202509 429.5912414 458.9689839 554.5808983 414.2821604 381.4043269 370.3609806 314.4723419 373.1016921 315.8675872 517.8119968 287.394276 332.6097038 363.1020313 398.7810256 407.3430842 301.9185582 416.7229648 339.1645579 552.2221009 347.2893638 350.5555428 352.8110314 290.4476415 391.1876686 421.1639991 395.3234682 454.3842794 578.3183319 377.7398852 490.832458 357.1698675 411.5391572 552.1933601 390.7194037 288.2283533 510.0241543 263.3459519 255.2985838 350.6186537 309.490987 266.2399898 No_result_found_in_bank_inhouse +M411T1142 M411.348T19.04 411.3480188 411.3462271 411.352648 19.03563878 19.00970181 19.05597408 0 218 0 218 [187][M]- 186 7.651481465 18.5921993 0 0 0 0.714884 0.196328117 1 810.0317081 579.0787072 0.714884 769.1775919 151.0111883 0.196328117 0.274629335 0.91867629 2.43E-10 433.9209746 1228.484879 794.5639039 0.997345783 0.997340401 0.907981747 0.997357946 0.905542086 0.896173123 0.864754546 0.825522489 0.864537561 0.826905887 0.896173123 1044.181845 1039.427054 911.1151934 990.1724396 1993.47744 648.1128696 673.527048 246.6437077 2246.897074 471.6044521 338.7963018 153.1359284 813.1111243 361.8344503 1577.435581 643.7129734 205.861938 163.9774101 1766.655491 605.0618939 306.8360445 826.5787322 878.239903 791.3552067 790.5724617 353.0180002 764.3244569 393.7207408 441.7903775 1689.915953 1145.155952 1520.517802 562.401861 827.3614772 472.777987 2837.757824 523.10149 559.6914906 917.3771535 515.0462176 945.9192746 723.6689006 520.5254327 803.6248279 368.6729004 1226.442613 530.7011178 159.9118544 1296.912243 525.2219027 648.1128696 1509.132382 882.936373 162.6222249 2744.250045 3779.875661 791.428161 944.5640894 1109.896685 909.329274 215.4744479 617.5858141 909.329274 337.4411166 689.7892705 123.3218539 584.7105236 857.1057876 1414.813356 975.3002844 395.2862308 1524.583358 1978.570402 646.5473795 349.8870202 526.7873928 1783.093136 697.4258053 1341.633355 697.9203817 1384.999282 982.5092752 619.9340491 1349.764466 678.639925 445.8559332 1238.639279 2466.437077 1470.37595 1592.886099 702.9050204 2172.361887 861.8022577 2875.70301 586.7951947 1118.542622 1120.890857 268.326671 345.5722278 490.577045 1741.607651 671.5952199 700.5567853 429.7270113 1203.079083 440.4351923 720.9081556 302.2063012 501.4185267 1037.919885 108.4148166 436.7717164 730.4448267 486.5114894 776.5211237 445.3819116 1107.186314 340.151487 1534.180223 304.4878095 176.1740769 1229.152983 1055.689276 No_result_found_in_bank_inhouse +M417T47 M417.048T0.79 417.0479726 417.0470065 417.049042 0.788876515 0.771699834 0.8062 0 312 0 312 [191][M]- [M-H+NaCOOH]- 350.066 16 Inf 81.31515358 0 1 0 0.188374243 0.119670203 1 4790.034981 902.3192137 0.188374243 4440.320239 531.3740243 0.119670203 0.635279012 0.916062682 3.39E-10 3564.961289 5832.571064 2267.609775 0.527638918 0.526731249 0.828852751 0.526683721 0.82588821 0.895228214 0.548745815 0.83793998 0.54984053 0.837982462 0.895228214 5161.280969 4469.785159 4606.107425 4139.56363 4081.066042 4186.38971 4291.420278 5219.111537 4116.932894 4919.574861 4822.637425 5120.235353 4092.698535 4905.034246 4016.11796 5864.714859 6348.49198 4386.418965 4784.380552 3982.73428 4468.83374 3623.956037 4589.324509 5196.716932 3907.909696 3761.79528 4713.098123 6257.323955 6238.893361 4098.514781 4529.929025 3662.29632 3580.868874 4705.473839 5860.879851 5050.440399 4732.48561 4323.409632 4367.424981 4043.537803 4071.372299 4190.605345 5694.889149 4131.473509 5352.890128 2569.81142 5478.010329 3372.453388 4574.47759 3542.873028 3950.458469 5959.741878 3935.006924 5725.124952 5110.541609 3775.419813 5726.094326 5810.429895 4296.26715 5985.886654 4400.95958 5829.143085 4233.257816 3601.225736 4458.152667 4038.413571 3173.885565 4569.25482 3392.810249 7049.387428 5396.200792 4030.658576 5280.182122 5801.42768 5328.955434 4578.36986 4876.697104 5320.375716 6812.76298 5637.881259 5175.489691 4529.88637 4625.281108 4976.767948 5029.472751 4278.818411 4349.582739 4286.573406 5676.656234 7056.214085 5512.095537 4276.879662 5327.667782 4044.229817 7399.234466 5217.832433 4102.003078 4096.576032 6065.375351 4872.075518 4662.898196 3801.774676 6039.852587 5189.626757 4250.402496 4593.865077 6842.484343 4282.695909 4781.923702 4865.577988 4211.931581 4643.534857 5391.660173 4819.729302 3538.216403 4636.922955 4227.44157 4149.891622 4266.625147 6137.279702 4048.107314 5069.827886 5482.781362 No_result_found_in_bank_inhouse +M418T47 M418.051T0.79 418.0510356 418.0485463 418.0532924 0.788876515 0.771699834 0.806166667 0 260 0 260 [191][M+1]- 16 Inf 66.38836705 0 1 0 0.254656803 0.193094027 1 613.5183624 156.2366249 0.254656803 579.1869468 111.8375397 0.193094027 0.758251985 0.783519318 5.95E-06 376.0343382 920.4952129 544.4608748 0.298578436 0.29792426 0.828852751 0.303603105 0.82588821 0.966714196 0.549838195 0.560203897 0.555460406 0.559144944 0.966714196 911.943971 696.2114317 655.184987 506.008801 519.0289927 465.6171448 519.9919407 684.6560553 628.8050691 479.5481231 672.1377308 754.9512621 389.9939555 516.1401486 729.9146131 692.3596396 574.5214377 433.3266173 1051.476838 589.845642 573.1000783 572.9664116 624.2701467 583.0296887 442.5975012 716.8156636 636.5086534 687.8608993 750.1365219 609.5461083 665.1009056 500.73298 521.9178368 728.5112067 520.9068522 669.2488867 633.6198092 491.1034996 602.0748333 570.8609016 445.8449418 743.3958856 768.2281071 515.1772005 605.2099258 371.6979428 849.0580719 524.8066809 609.5461083 423.8296463 696.0626704 625.9021376 782.1715327 986.0587913 610.5090563 579.6820027 731.8405092 594.1389397 639.3974975 501.695928 491.1034996 610.9061825 597.0277838 591.2500956 559.4728103 553.6951221 398.8439356 574.2267752 441.0302016 612.706312 497.4323476 713.5444964 864.7273385 464.0413058 681.326755 655.0705068 489.3888044 437.8944011 812.7281444 764.5807425 782.8767552 1000.503012 763.5311842 622.0644328 830.706945 482.4369672 490.1405515 564.2875505 759.7660023 746.8539611 916.5835891 434.2895653 316.2054164 727.988717 825.2464689 673.2561845 404.168708 504.5847721 1002.428908 628.8050691 565.8021581 353.2812894 943.4800539 561.8139555 519.8259928 677.915419 572.0577014 530.5843691 460.2891623 667.0482212 827.172365 729.0866637 635.5457053 458.3632663 579.6947191 686.5972696 518.0660446 727.025769 446.209519 818.130846 664.4341465 706.8038602 548.8803819 No_result_found_in_bank_inhouse +M425T880 M425.2578T14.67 425.2577527 425.2558331 425.2597782 14.66863591 14.6492868 14.90967311 0 129 0 129 20 7.093917487 17.40589159 2.26E-12 0 1 0.27411509 0.265665356 1 335.2664463 91.90159202 0.27411509 340.110337 90.35553359 0.265665356 0.969174502 0.796661814 3.19E-06 172.9393706 589.4632795 416.5239089 0.395759979 0.399148921 0.89678764 0.405071139 0.898770124 0.970545484 0.848032853 0.494139541 0.851230904 0.49575664 0.970545484 421.8033572 421.7086345 408.1527631 271.6468223 138.1368689 238.2028668 212.0193182 279.795302 342.8362333 270.2284267 350.3113139 318.8056357 347.3373842 324.5715627 315.8049785 341.9473369 408.1527631 215.2177331 307.1383669 278.4721193 420.4382978 393.1371096 257.9962282 273.6944114 384.2642235 345.3600303 200.2314095 376.073867 238.8536121 235.5868262 281.8847678 356.2531118 261.6275719 401.3274661 405.4226443 370.6126883 283.2089926 300.7889614 573.3249515 342.6299115 427.645268 321.3521602 391.7720502 347.4403442 346.04256 193.7687705 260.726347 148.4316938 285.9274649 255.9486391 389.0419314 400.6449364 402.6925255 325.5754155 400.7084913 275.7420005 352.1499561 305.7146066 266.1072648 283.6049713 598.5958422 277.7895896 303.8899072 242.7281414 477.0350433 297.2681674 391.0895205 429.9937136 250.8856336 245.7106935 255.9486391 238.8667145 303.3102565 501.6593326 245.7106935 329.6618471 557.6267683 389.0419314 308.0162157 256.5767061 367.5096162 362.6864353 402.6925255 336.1660681 290.0751243 552.9377227 302.6072354 264.6816739 466.8518662 308.5034263 312.5986045 343.1964379 335.8046145 262.3516288 296.8053054 328.9793174 365.8359214 381.8422891 326.7895863 328.3555183 411.5654116 254.5835797 161.0770102 208.1715598 322.8365501 477.4713405 633.3875655 355.353147 355.43377 391.7720502 366.6561837 421.1208275 223.6178664 365.6281077 399.6877209 172.6800152 268.030047 167.3431681 245.0281638 305.0907778 231.7188053 217.3224014 185.3010724 No_result_found_in_bank_inhouse +M425T1175 M425.3637T19.58 425.3636751 425.3614055 425.3655891 19.57749218 19.3923416 19.7325599 0 337 0 335 [195][M]- 365 26.10289198 35.49861502 0 1 1 0.48915246 0.121049729 1 2842.061413 1390.201333 0.48915246 2685.79026 325.1141825 0.121049729 0.247468302 0.966099363 2.00E-14 1913.69384 3436.53954 1522.8457 0.963670929 0.964303484 0.828852751 0.963828739 0.82588821 0.896173123 0.690154932 0.760612007 0.688259785 0.760108242 0.896173123 3163.473094 3216.593429 2653.023109 3515.323442 7362.388753 1573.112925 3696.337356 1450.741112 4265.53403 2098.773124 1993.634308 1925.83414 3398.496633 1840.822935 4927.471127 2306.509191 1119.868065 887.4145474 4673.697887 2320.655087 951.4877647 2506.257521 2395.399495 2068.009168 1928.833131 1168.497852 2975.671973 1029.269819 2755.459488 4424.616139 2519.616111 3336.812436 2725.172809 2240.246121 2203.468271 6494.602628 2476.084641 2455.814788 2498.022655 1672.688499 3901.647979 1761.126207 3026.26298 2836.598458 1618.092401 5269.823663 1880.606849 759.2862837 4109.719174 2082.360959 1901.264001 2926.324991 2503.041287 1398.868137 5589.871474 6492.121982 3517.778008 3467.657379 4402.953093 2849.847781 955.1963331 2575.500418 2853.605367 1482.951179 3120.838187 1370.027073 2021.839622 2185.196445 5083.242788 1818.68295 1346.122371 5829.190661 4709.113115 1835.346808 1732.750177 2650.95214 3691.603782 2200.954551 4158.573097 1935.892238 4536.721203 3720.69764 2016.841186 4559.9068 2708.555824 1452.091099 3896.172318 4718.08898 4949.367393 4066.654603 1643.839451 4215.249448 3393.651731 6230.866148 3073.549021 4264.081464 2543.165489 965.5000507 1381.300924 1685.629097 3514.695914 2393.740534 2356.013932 2144.822484 2973.535845 1805.906907 2280.874278 1859.084018 2932.851012 1954.954911 770.2094034 1719.009648 4254.343916 1870.396258 4571.519873 1619.81561 4767.478152 1647.395477 4067.112722 1511.074376 563.2388545 6085.34596 3493.963491 No_result_found_in_bank_inhouse +M425T1191 M425.3636T19.85 425.3636413 425.3617762 425.3668911 19.84805668 19.83077605 19.86514451 0 109 0 109 127 5.265007321 28.01224197 0 1 1 0.459206747 0.195939096 1 598.3783201 274.7793621 0.459206747 583.9755407 114.4236396 0.195939096 0.426690368 0.954824268 4.47E-13 325.2024877 873.023382 547.8208943 0.975939116 0.975977533 0.745030178 0.975955476 0.72890136 0.895228214 0.463384046 0.494139541 0.463284218 0.488904899 0.895228214 694.4840973 588.1983751 471.1525624 639.7020905 1267.585671 336.4434941 798.2813616 279.007699 950.1527113 318.9570814 428.9991748 414.1284734 509.3632554 394.8709028 842.8964413 534.090145 324.1079041 229.525935 907.6132817 315.5080994 192.5302332 731.7162759 550.3076071 366.574698 400.2727925 246.8257199 659.0105079 324.1711458 394.6108802 845.3550861 388.824766 642.2500396 644.5987822 557.6947417 446.3772078 1520.820747 489.5712785 346.3513414 799.8024976 354.1923985 625.8857411 383.8477173 650.7264086 532.5470103 452.5978795 1254.956869 450.8556206 272.8440659 953.3739165 402.8134997 552.8610533 606.3542394 409.8713786 324.1383888 1045.828809 1028.106998 712.0327317 682.4049688 707.1362418 462.07275 357.6304003 542.0988873 697.3300685 314.6856892 687.3021315 446.709368 484.2141705 628.4319197 807.3261297 510.6260676 468.2416645 1149.839863 1175.829195 291.5939272 321.3841064 439.8116315 687.8144152 532.8103793 533.3986439 334.9577482 852.7736687 837.5502776 340.0121536 621.9302345 570.588248 375.5912261 675.0695607 866.0512956 909.2482344 749.0117978 453.0678989 998.7756692 413.7251432 1343.268986 382.9245943 699.5330815 669.1276969 520.9377143 389.3861101 418.5050047 716.9314026 460.5819503 411.0298082 273.9507558 746.8360435 407.3626881 471.8385133 380.0413046 870.8290205 584.163711 247.7361238 409.8579553 859.8159164 528.8936538 829.4028679 493.1135946 889.5924023 317.8422678 739.9067803 257.352373 232.354367 1245.261095 501.715273 No_result_found_in_bank_inhouse +M426T1175 M426.3672T19.58 426.3671734 426.364192 426.3706123 19.57748357 19.56253147 19.85449876 0 287 0 284 [195][M+1]- 364 14.28258587 33.3550739 0 1 1 0.48725437 0.186377799 1 831.6968042 405.247902 0.48725437 826.7884203 154.0950061 0.186377799 0.382506163 0.972444113 2.11E-15 548.134154 1285.055691 736.9215371 0.830550204 0.831096638 0.828852751 0.832691108 0.82588821 0.896173123 0.651675787 0.875157643 0.648694085 0.875416782 0.896173123 720.5516041 984.7548954 668.9232112 949.2419656 2109.714567 340.1150302 1019.144923 624.0575707 1399.581742 696.877844 561.2022104 534.6623975 1185.457796 505.9764269 1270.764034 740.5026602 331.972527 331.5758939 1100.975964 546.5122521 281.319098 1055.194895 744.6213829 591.3564823 816.5174653 256.9301276 1052.634817 326.9283655 785.528746 1668.382466 851.9830752 914.9015405 826.0567242 527.2619333 746.3084267 1731.804435 821.7980012 607.4685447 835.6856787 439.2791028 1138.629333 453.1815211 619.9336973 715.1691985 573.2470096 1246.493252 723.2973428 286.6786232 1215.044946 505.7296639 585.3314517 1077.998257 919.877804 329.1015536 1667.730245 1714.541013 1358.452142 1375.285616 1084.830149 882.9888767 454.5488177 622.8496339 641.737398 294.5609593 850.0436945 367.5426985 593.555562 650.4133067 1240.889692 632.0967141 488.8362363 1387.768175 1544.99249 518.4373012 533.770697 586.7214065 1004.067193 548.4437407 1124.444816 764.8757689 1755.157684 772.9143454 488.0705012 1188.335843 782.8230746 387.1448408 996.3151732 1426.105944 1656.343071 1166.530462 720.6753121 1389.093536 805.8640154 1678.474741 809.996618 1318.99514 737.6774964 374.2787181 518.9098369 472.7394653 1104.060473 510.0753176 619.1511703 607.6550158 927.4232065 420.3358319 867.1703742 500.9343287 908.9196493 505.8685783 303.0563751 517.9942871 1290.286554 432.1105205 1046.801316 612.2946391 1327.238631 373.1515282 898.4396058 228.2869525 158.5176155 1614.764977 808.4768225 No_result_found_in_bank_inhouse +M429T936 M429.3009T15.6 429.3008749 429.298762 429.3036173 15.60301788 15.4915328 15.62244114 0 101 0 98 171 14.22463405 23.03503199 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571.5628602 331.550123 276.4762695 608.8040355 484.1853467 561.7894894 381.122482 429.3358104 256.4559746 275.6909614 351.5905478 342.8576135 307.5914617 177.9152238 317.3208095 248.3730084 305.3387715 277.9917246 304.1416375 327.7674334 470.7188429 133.4830352 414.2725852 280.8609173 497.9688422 248.706888 372.9469053 130.8190173 323.4036718 255.0514596 237.3176629 273.6172677 364.0935961 331.2683608 358.9577575 345.4810172 327.0890106 398.3124079 674.8352749 225.7990577 345.3640366 250.5170396 219.2507384 399.1924149 329.7142983 428.2589752 313.2288342 371.7075657 271.2947847 447.5105455 547.0478799 200.6197854 328.9052602 373.0330122 660.1165113 581.2015809 329.64236 428.2340156 291.3791157 188.544967 187.1374327 366.1803082 618.3955052 510.5881093 388.5145006 No_result_found_in_bank_inhouse +M431T910 M431.3167T15.17 431.3166921 431.3147155 431.319362 15.16579186 15.14325798 15.18368616 0 199 0 199 [198][M]- 7 111.11551 43.15352743 0 0 1 0.358183158 0.13275953 1 770.0286611 275.8112976 0.358183158 701.9939959 93.19639268 0.13275953 0.370647046 0.939174557 1.09E-11 546.3753176 900.0795654 353.7042478 0.573172242 0.56523348 0.748298881 0.537461595 0.72890136 0.040642482 0.690154932 0.255579476 0.65986507 0.199345342 0.040642482 1004.192461 635.66301 668.8264779 557.3553982 733.24005 735.5185768 888.3795983 1035.749719 771.4767757 684.8950567 493.5403556 731.0780099 1023.211284 482.5604577 512.3624453 1163.08129 874.6192403 780.6242795 438.2623644 534.4895357 1042.302232 337.2714717 1084.22298 445.8843186 860.3280762 607.8508446 964.9094113 671.6847107 829.7467085 1418.121502 727.8966226 469.8720044 877.8765301 868.9027747 842.2259351 731.3633864 726.5017121 469.504558 1351.94412 955.6025033 738.320275 583.077367 923.2091981 581.6085577 712.6527143 918.5379601 965.129946 1633.840029 709.5805449 872.7137518 436.3568759 572.5993066 3125.953951 804.4472312 741.9934889 862.2335648 675.9121715 580.5366475 1069.794597 792.7202325 556.0896591 604.0398675 657.9178611 544.5142446 777.6847622 810.9283934 715.5109471 839.3677023 798.229183 1257.622437 545.922467 830.1079669 1186.539947 741.2350424 708.8417372 653.5825695 437.3096201 443.0260858 591.7320611 1501.481344 999.2292399 623.9368144 687.8813633 806.331987 455.4117613 554.2304938 350.1756624 577.0428612 671.8779512 760.2899278 666.9209893 693.0099126 1033.727533 736.031079 635.8886302 760.2899278 746.9515081 820.4356987 545.2758508 562.8643117 568.7883295 541.1587456 554.4971654 685.0231305 536.3950243 503.8562677 604.9926118 646.7330248 976.3887307 987.0430642 652.5033182 717.4164357 519.6635401 612.6759219 893.0830192 512.5764175 619.0081641 579.4796673 811.7381184 722.180157 696.715657 1052.424741 1621.424978 No_result_found_in_bank_inhouse +M432T910 M432.3201T15.17 432.3201288 432.3174825 432.3229034 15.16525832 15.14553062 15.18652266 0 123 0 123 [198][M+1]- 7 Inf 44.22791879 0 0 0 0.381742054 0.231999044 1 256.7392886 98.00818338 0.381742054 243.2286719 56.42881929 0.231999044 0.607737715 0.887180473 7.64E-09 141.1781789 410.0285749 268.8503959 0.376924009 0.377507193 0.853058507 0.347571443 0.82588821 0.097995596 0.993606802 0.298379218 0.993690738 0.262137661 0.097995596 384.2562287 299.3565933 303.0080212 318.3018014 266.9937184 250.4356516 234.6308434 316.5493707 214.4040466 230.5854841 209.3473474 134.508199 282.163816 202.2679685 191.1432302 207.3246677 362.2714196 298.3452535 160.5846926 181.6136405 263.8177093 153.8936638 341.2424718 195.9515594 290.5818247 230.362565 251.8236208 228.4508425 345.8782261 322.6174097 194.9956982 113.2700623 286.2091754 259.9942642 281.9790733 204.2906482 235.6421833 193.1659099 242.7887614 372.7858936 390.3771792 186.086531 346.9776394 144.6215975 368.0065872 201.2566286 315.4342176 567.3616516 215.4153864 276.2439057 266.6852931 185.4370855 1019.90397 200.2452888 259.9143395 352.712807 151.7009764 201.2566286 224.517445 278.1184567 179.0071521 221.7598136 223.5061052 121.3607811 292.2772144 190.1318904 211.2453397 184.4812242 354.9802847 385.21209 241.8329002 261.9370192 246.7669215 210.2894784 238.0094551 168.2315827 165.3639989 136.688161 274.0730973 616.9173039 544.1008352 192.1545701 255.2149579 239.6875426 206.4660334 139.5648982 209.3473474 166.871074 205.301988 158.6729701 319.2576627 174.9617927 294.4052698 189.1205505 304.4132926 313.5224951 229.4067037 311.4926715 174.9617927 136.5308787 312.5666338 182.5695017 249.4797903 214.1129235 173.9667503 162.8257146 278.1556283 230.5854841 488.4771439 181.6136405 197.2112693 232.2742875 163.8370545 232.6081637 370.1503823 230.362565 220.4720856 217.4380661 325.9486915 274.3321832 209.3473474 371.1617222 300.3679332 No_result_found_in_bank_inhouse +M436T932 M436.2833T15.53 436.2832872 436.2811196 436.2853387 15.53322364 15.52085482 15.55071116 0 134 0 134 711 Inf 35.41117867 0 1 1 0.483291166 0.218669098 1 615.5182228 297.4745198 0.483291166 574.9419002 125.7220265 0.218669098 0.452458296 0.979215897 9.79E-17 359.0153815 923.0853506 564.069969 0.086259509 0.084672238 0.828852751 0.084195005 0.82588821 0.895228214 0.328446625 0.443813322 0.330584935 0.440994795 0.895228214 358.2033117 276.593456 362.060197 838.4864258 820.822491 447.1617171 501.7260963 648.1257317 480.9582553 424.9409774 191.791992 197.691551 466.5884053 265.6096825 196.9911185 649.4162851 259.0746164 336.1364095 828.8749299 727.8485651 714.916941 835.1328162 787.1979725 545.5272475 533.1918181 817.1565457 687.8150339 1080.548875 476.1205842 119.9856397 379.0142135 1226.279949 327.056075 757.9031323 302.8039567 565.3704597 281.6473633 487.39197 504.4649761 911.0738775 746.3810161 350.7758173 635.1387472 510.143855 699.2099991 830.6207686 601.2929164 461.6888375 977.6232509 509.9413966 300.8654261 541.0411355 433.3713345 676.0397407 435.9452422 488.5905162 243.0886126 446.2873222 281.179846 1035.906575 614.2321474 594.9436527 626.2535666 445.1603838 1409.672635 725.3489369 791.1252655 287.111141 550.2986339 567.0949275 215.1241603 571.3142292 365.842748 742.7000975 287.0427061 371.4432462 554.4705298 930.449697 820.2407539 389.240191 758.1796485 466.2408732 771.5445931 412.7141912 658.9810802 384.3174667 473.9122798 449.763543 389.4093569 350.8946588 584.3827626 712.5163868 369.5205475 475.4566799 957.6585897 549.5704151 571.0682265 394.3404803 192.381552 545.5207034 287.1537449 836.7667477 700.6419879 394.8386155 467.5790106 783.301225 761.0069653 1150.189052 1344.857434 422.1609272 340.0194736 670.3849819 668.6465904 711.4259323 616.9499442 326.9340146 489.7802909 449.514378 361.8443643 305.5158342 601.2569424 1120.203882 691.7892697 No_result_found_in_bank_inhouse +M439T1125 M439.3429T18.74 439.3428762 439.3406553 439.345721 18.74321124 18.58413106 18.91294646 0 200 0 196 1135 8.707429219 17.62388785 0 1 0 0.691775511 0.171081605 1 801.748964 554.6302996 0.691775511 805.3067208 137.7731661 0.171081605 0.247307981 0.951380143 9.87E-13 539.9365595 1150.299627 610.3630673 0.800950374 0.804513848 0.828852751 0.807619313 0.82588821 0.966714196 0.640005896 0.89950894 0.643109369 0.898680587 0.966714196 1136.847903 746.1241894 1000.4729 598.1680769 2095.687464 922.0514249 1030.008094 199.1646242 1697.358216 274.9660857 798.1448002 487.5074385 863.5421395 526.1513208 1328.75503 630.1925424 166.7842027 453.3224656 1730.647078 1050.566693 930.4282776 842.5351211 1236.999765 865.0166814 816.410382 258.6479718 572.2267189 282.4510036 321.0414839 807.0626192 773.0474403 506.8293796 927.4531756 516.1049551 375.3462119 2220.53693 844.2201983 700.0487912 332.8804244 329.7474651 1845.988532 457.7813751 821.7783729 671.8090311 188.3023856 2815.058196 716.3948906 135.2535881 1618.584148 845.5491006 400.4277252 1264.54532 489.6078775 399.8155517 1670.604759 2237.229081 1028.521791 749.0967957 755.0420084 554.3910809 286.856511 366.5738733 836.7886825 304.692149 850.165411 234.8359002 513.7687914 482.8597891 1304.97418 877.9507508 131.3050927 2800.195165 1565.077234 481.6448466 444.1555618 297.7055894 1088.965775 1151.535553 936.3709946 1169.720592 2563.872961 735.7200672 458.6730742 1030.008094 516.2991998 506.8293796 1056.761551 2098.66007 1354.022184 1534.674122 467.1873156 1502.652501 1165.304542 2813.571893 1838.557016 856.1219359 875.5495157 350.7675472 353.7401535 221.4591717 916.0232754 1819.482802 501.7621103 428.4218703 528.6848043 481.5622258 926.9149983 436.9731308 1037.43961 434.9798633 346.3086377 349.8325207 695.5898817 398.3292485 976.5011801 873.1051766 1609.666329 432.5142213 1240.735998 646.7044067 151.6029229 1666.145849 1135.535619 No_result_found_in_bank_inhouse +M439T1091 M439.3428T18.19 439.342845 439.3410749 439.3452818 18.1879302 17.87522935 18.37866829 0 120 0 107 515 13.35933761 18.46311049 0 0 0 0.747847764 0.213844893 1 545.6789486 408.0847814 0.747847764 511.1260018 109.3016852 0.213844893 0.285947092 0.960634947 1.01E-13 279.00618 768.7592556 489.7530756 0.246320125 0.247988332 0.828852751 0.248581488 0.82588821 0.896173123 0.327015996 0.90187697 0.330584935 0.901901873 0.896173123 897.5135003 496.9977628 709.8085679 948.7774524 912.2789123 387.2400076 434.0357821 219.6971243 1098.485621 154.0559103 217.017891 301.4137375 456.8092645 581.3936093 1111.881787 1129.296803 300.4856271 286.6779548 1410.941698 182.1841991 358.8476649 840.7288149 545.7639211 712.1745965 420.3644074 263.4178463 266.5837057 228.7160941 486.2808299 326.8664532 895.9361479 620.242491 456.8092645 385.6626552 336.7647317 1382.484343 329.5456864 204.9613415 953.5095095 216.8859513 696.6006379 360.3568684 675.8954919 672.4875389 200.3237514 2706.025555 481.0924738 278.6402552 2227.782425 1761.902601 447.968074 710.5972441 623.0541874 282.659105 977.9201263 2537.959968 959.1654937 935.0523947 885.4865801 659.0913728 180.8482425 212.9425704 527.8089449 273.2817887 688.5629382 206.3009581 526.8356926 238.1802083 510.3939289 641.9824159 223.1953608 1233.786899 768.9399349 472.4170357 254.7424083 301.2743033 455.0661596 308.3723889 1144.032586 525.1297116 1413.295525 509.0543123 344.6514935 1430.710541 448.7567501 278.6402552 594.7897754 1560.653352 880.1281136 1077.331671 533.1451021 850.6565482 1246.108375 1015.429391 929.6939283 606.4919875 611.2240446 239.7913734 292.0364213 183.5274758 1093.893871 362.0023696 253.1650559 227.1387417 803.6610341 373.7530346 443.2360168 258.546006 1265.937698 244.4896178 115.2070286 243.7009416 384.4699675 192.904792 423.3188492 505.5414356 1012.750158 203.6217249 760.2838438 409.3229408 151.3766771 1322.201595 432.6961655 No_result_found_in_bank_inhouse +M439T1212 M439.3795T20.2 439.3794755 439.3764213 439.382223 20.19905138 20.15781519 20.24209225 0 102 0 102 764 3.212687286 19.03131255 8.88E-16 1 0 0.515420647 0.225327671 1 280.1951587 144.4183699 0.515420647 267.5613966 60.28898632 0.225327671 0.43717238 0.944996349 3.72E-12 148.3744419 429.2967187 280.9222767 0.98418722 0.984412683 0.907981747 0.984532799 0.905542086 0.897437208 0.878882639 0.913056964 0.882245831 0.913037985 0.897437208 471.5536959 472.9834802 413.9644343 326.5025531 999.2745247 276.3955441 183.1841757 250.0609383 705.5983065 130.8458398 174.4611197 158.9534646 249.0917098 278.1685631 302.3992742 256.8455374 209.9994809 105.6459003 449.179854 312.8267002 276.607683 295.7134043 418.3079507 288.6887921 356.5743455 195.9236769 401.2605754 130.2256426 263.6301365 332.4453559 400.2232642 398.3528901 318.8761577 190.3764091 184.9636469 607.7062337 313.0607871 180.2764904 313.4975734 85.88369787 518.537217 204.5072015 248.2131653 276.2301062 313.8884422 441.96817 293.1689254 113.3997278 243.2763392 216.1690314 276.925993 683.96477 213.1326651 163.7996069 575.7216951 709.4408191 370.2452652 302.3992742 351.8299248 139.5688958 142.4765811 188.9390268 334.3838128 168.6457491 358.6145239 240.3686539 394.1365317 281.8112904 345.0453257 241.7060322 223.5047195 469.1065664 427.4297433 166.4309673 205.4054875 271.6749489 327.7421778 320.615932 355.7068386 228.7379125 475.8911655 261.6916796 313.8179989 618.3677466 272.8028123 179.3072619 292.7069898 641.6292292 729.8290175 505.1748575 256.7620739 348.9222395 420.2678574 976.0130421 221.9533134 544.2001084 303.1221941 173.4918913 277.1993347 154.1073224 474.5333631 263.4834797 272.7580519 98.81726224 426.9692079 118.24587 289.5051528 232.6148263 246.1840245 205.2080379 68.81521945 259.4844159 270.4147356 242.3071107 258.7839943 244.4440825 330.506899 207.4148868 320.8519553 156.4323908 96.9228443 621.2754319 416.7682305 No_result_found_in_bank_inhouse +M441T1197 M441.3951T19.94 441.3951043 441.3931816 441.3978612 19.94386589 19.91943552 19.96399857 0 178 0 178 1091 7.552805893 18.27291719 2.55E-11 1 0 0.568581273 0.227860659 1 418.6359601 238.028567 0.568581273 412.5075789 93.99424897 0.227860659 0.400753015 0.951975387 8.64E-13 209.9570988 630.8344022 420.8773035 0.919528832 0.918758244 0.812332331 0.920144612 0.810685871 0.897437208 0.701085511 0.560203897 0.70256633 0.559144944 0.897437208 312.8753757 402.102386 373.373201 471.8201191 816.7985828 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1165.743299 188.1422681 764.6242239 378.5616463 602.7038 408.3992914 623.1019661 479.7720433 195.2040666 134.9336866 289.6576472 454.1200139 245.0198206 359.1756987 192.3308599 560.0945772 354.4258167 175.3604531 170.0164451 1050.683639 301.0113292 115.1434125 129.8250179 624.2931899 272.5660469 555.0272308 537.9263357 395.8054806 451.5780711 601.6957629 296.3036688 190.706277 799.7069825 286.0594155 No_result_found_in_bank_inhouse +M443T853 M443.2652T14.22 443.2652401 443.2621672 443.2679467 14.2166737 14.18979439 14.23218165 0 85 0 85 62 Inf 26.9997144 0 0 0 0.676408514 0.260809248 1 625.5839267 423.1502944 0.676408514 585.0131682 152.5768447 0.260809248 0.385579488 0.926756007 7.97E-11 192.450806 954.9325318 762.4817259 0.862828901 0.859991744 0.787240672 0.860312789 0.79517269 0.931912603 0.667163611 0.505346476 0.667490761 0.505318217 0.931912603 246.6555534 190.8830934 239.8668684 489.9167643 907.3484027 248.9184484 256.2540157 682.4724297 278.0443232 635.4053656 359.104267 577.8789539 421.8603525 599.6692613 199.5992163 442.7790476 219.5008136 254.5107912 549.8834814 372.2462251 247.7870009 504.6255817 1045.457483 446.9217596 770.5157425 369.9833301 335.5707349 825.9566696 361.7191039 445.3938845 268.1530558 1174.061766 222.2611361 454.841892 288.5191106 329.4694488 161.2482752 289.3752831 244.3926584 148.2196215 249.2811174 293.7333446 307.753718 302.4494676 290.7820056 259.7404649 364.3260926 295.4765692 743.4852906 819.1679847 523.8601891 263.6272658 419.7670198 432.3197 278.0443232 272.6788457 335.5707349 224.875973 546.5009111 1318.749408 253.6391789 277.2046357 221.3895238 579.6221785 847.2071541 344.2868579 343.9600378 277.2046357 320.7533258 898.3693092 347.3543802 272.8146494 423.6035771 252.3127909 332.6455628 291.9134531 549.8834814 589.4841437 518.6093176 421.8603525 251.8959543 505.5351331 1305.690407 317.2668766 319.0681929 450.6235583 447.1371091 286.7604462 631.0473041 634.7420434 299.8335856 1235.946239 254.5756858 230.9772591 448.0087214 185.5573888 793.1446923 173.4508474 835.8761942 1214.155932 287.3876631 819.1679847 459.367682 379.03491 415.2412298 1032.860574 554.4092714 774.8633333 599.6692613 218.3693661 99.36380203 653.9766507 244.0514436 583.98024 977.9489989 502.3626867 287.6320585 1344.026164 294.1763481 196.8718637 673.7563067 370.4352268 792.2955793 No_result_found_in_bank_inhouse +M445T1106 M445.3325T18.44 445.3324549 445.328969 445.3340187 18.44079586 17.90343636 18.63852251 0 251 0 195 [202][M]- 1189 16.41160928 30.78502766 0 1 1 0.547151405 0.15870929 1 1286.250568 703.7738047 0.547151405 1147.079522 182.0521769 0.15870929 0.290064668 0.952293627 8.04E-13 799.6231011 1612.596349 812.9732475 0.963670929 0.964303484 0.907981747 0.963828739 0.905542086 0.903641073 0.845680178 0.878439607 0.845821483 0.880198188 0.903641073 1212.0805 1552.50055 1084.633487 1107.629601 3772.679071 1012.811895 1890.75214 516.2866594 3285.478455 797.9258163 2016.895583 966.2933496 1447.750317 703.8987346 4032.596658 1188.431462 683.9503754 1372.390455 1387.051204 1018.517429 1005.639125 1552.705212 970.9894439 1175.729894 663.9577236 437.0346749 904.2381811 337.859066 491.3067175 1875.274586 1212.719164 1891.705435 1145.666147 1204.360828 1297.780629 2861.07082 841.6386086 991.1275758 665.9991523 1154.444904 1675.953815 768.7178132 1416.842208 746.1505122 955.3851402 2698.439001 1299.234734 197.976971 1585.600955 1506.829704 903.1804382 1619.253604 1329.190642 1496.011741 1521.997731 1643.930168 1359.003436 1707.530729 871.7812117 765.2617604 672.6126934 911.6115687 1105.738251 604.0134753 1187.461641 874.9633814 703.0603994 746.1711945 1264.478093 1019.003389 605.4528828 2246.038968 2479.984938 1181.012536 628.1890138 787.142452 928.6287717 1156.858113 2404.283824 1477.87755 2635.508825 1033.606162 919.035072 1370.57877 954.5720267 1316.197558 785.6983668 2142.530111 1109.419379 1139.523343 532.2301973 1530.890902 1725.674545 1758.710422 1651.733824 1414.08687 1137.117068 490.6504944 719.1355916 836.570567 981.9005486 1701.182153 828.6748274 1264.220435 671.6561285 390.5005468 1642.596717 975.3098448 911.312616 714.8334887 392.1731974 854.272091 647.0619464 644.0578293 2322.754705 891.6331488 1957.128281 722.2182903 1631.414437 1102.902629 471.0240506 2332.820109 621.4673385 No_result_found_in_bank_inhouse +M446T1106 M446.3357T18.44 446.3357414 446.3307237 446.337774 18.44057919 18.32686907 18.61529612 0 94 0 87 [202][M+1]- 1189 9.253755917 18.25847088 3.66E-11 1 1 0.578538076 0.250709222 1 451.4007127 261.1524999 0.578538076 395.1768855 99.07448963 0.250709222 0.433349563 0.945093165 3.65E-12 173.8427186 604.4466806 430.603962 0.870450776 0.872776752 0.924153787 0.87185289 0.924071385 0.9676708 0.876521482 0.989714906 0.875327914 0.98888698 0.9676708 436.2736623 425.206796 301.1259713 522.3172813 1347.138099 432.1369886 408.511179 264.7540303 741.599754 106.4235324 509.3621026 211.4688018 873.3963414 278.9274222 1538.240811 339.3866963 259.5464063 642.2640451 570.908269 353.3264619 458.4564707 658.0037265 584.6567949 347.7728657 230.7569779 200.7271288 199.7252962 176.9168755 234.1828861 994.3614508 534.0423187 515.5175848 353.804058 385.5544908 467.3564566 1121.963181 392.3175441 478.5491137 407.914578 334.0862297 613.4628637 332.4114731 541.4701477 172.6526855 244.8674131 1266.741322 621.849211 93.00651769 866.7671689 312.3915448 210.3275943 600.68741 331.5637184 408.5135399 645.1659428 709.7741209 409.7218449 571.8351982 424.8472269 250.5472719 238.7654421 329.6204986 321.6523975 178.2193933 461.9380869 365.7424005 271.5630106 307.4278153 419.3906818 297.2160826 178.1589897 849.3976799 617.8284454 400.0070204 293.636849 315.3198435 343.1556462 347.669956 951.8417907 548.1719222 768.0767475 372.7781703 332.0863324 500.4599373 415.8397828 246.4387394 390.9253795 713.2338418 371.350404 339.6164075 211.1799677 515.8715135 483.5006867 829.8801499 576.7430089 579.4924981 290.0603615 270.7972303 381.4146773 285.1940134 335.2352936 558.0401775 232.0706967 264.9107417 207.1928843 196.6820095 496.3773953 334.6804026 303.9750248 213.6659319 156.0939063 221.6138392 243.6849248 216.5894226 1075.283368 354.9568732 816.3781287 247.1554621 500.8484338 378.1937869 77.78211689 534.4595499 163.7031864 No_result_found_in_bank_inhouse +M447T47 M446.9056T0.79 446.9056425 446.9040458 446.9074655 0.788866667 0.769987258 0.806396541 0 255 0 255 [M-H+HCOOH]- 401.915 16 Inf 56.48364364 0 1 0 0.293369534 0.260914949 1 1787.191722 524.3076018 0.293369534 1613.919695 421.0957743 0.260914949 0.889373022 0.833863574 4.16E-07 747.0493451 2797.298911 2050.249566 0.832271597 0.831446759 0.828852751 0.832691108 0.82588821 0.877941452 0.581407636 0.902843964 0.578730534 0.905553463 0.877941452 2338.324845 1227.809825 1632.198648 1420.870994 1035.040396 1985.646982 881.7010784 1305.574764 1267.239935 2413.998977 1096.376124 4143.447428 1467.676329 1394.292513 1796.260582 1581.585537 1668.407155 1797.355863 1968.21466 1697.827645 1850.871197 1172.293649 2112.654282 2368.728728 1406.941771 2665.092728 1401.959479 2484.038124 1099.661966 1625.396771 2006.572266 2399.760326 2504.907287 2372.434085 2569.748151 1744.782382 1673.589128 1193.856119 1480.135691 1726.862167 1861.977433 2728.344579 1590.608947 1683.446655 1930.731167 1704.256991 2016.67516 1307.765326 1796.260582 2170.799414 1823.923711 1602.903828 1784.658407 1348.290717 1130.32983 2160.630186 1296.812518 1681.256094 1394.292513 2237.658762 1526.821495 1976.007608 2535.575151 1565.156324 1578.299694 1049.279047 1278.487072 1851.888659 2117.177869 1858.254507 1970.781365 3870.722498 2179.608877 2102.812591 2187.487513 2551.406851 1397.969707 1704.485883 1306.670045 1330.766224 1799.546425 1405.245321 1919.610016 1304.479484 2536.299942 1951.790462 1855.405748 1454.532959 1578.299694 2130.420338 1478.387589 985.7527584 1548.315557 2578.291104 1560.775201 2283.75852 2186.441248 2280.374715 1405.245321 1052.56489 1657.321208 1949.146216 1442.220767 2542.318945 2480.931385 1637.44486 2294.520613 1835.690692 2775.441655 2086.256627 1170.855221 1540.899565 1684.541936 2006.554504 1739.305978 2634.360609 1847.738782 1717.400361 1639.046609 1811.545258 1326.385101 1188.379714 1912.360351 No_result_found_in_bank_inhouse +M447T1134 M447.3479T18.9 447.3479471 447.3351253 447.3496159 18.90267247 18.63567071 19.1680506 0 316 1 216 [203][M]- 29 13.87646237 26.53783386 0 1 0 0.545927266 0.15480481 1 1496.771597 817.1284256 0.545927266 1472.540651 227.9563755 0.15480481 0.283563067 0.972057359 2.46E-15 648.5966033 2041.457809 1392.861205 0.915886435 0.916493726 0.907981747 0.916148009 0.905542086 0.942109723 0.826793348 0.949139883 0.831417985 0.949936104 0.942109723 1805.685886 1443.85345 1076.074113 1600.494385 3918.056006 1000.790731 1420.653536 848.8438995 3273.917227 771.0559537 1619.899853 893.879026 1752.275831 994.8668854 3886.667887 1318.300976 822.0358926 571.8096365 2342.875806 1263.378092 860.1747662 1954.303074 1521.754342 1508.835665 1176.205735 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1015.946808 368.4692168 916.5109855 1345.594992 603.1977549 1798.675658 1199.373492 2463.284949 889.7849236 1817.402803 929.931561 360.281012 3885.303186 764.2324497 No_result_found_in_bank_inhouse +M447T1169 M447.3479T19.48 447.347864 447.3439306 447.350527 19.48371559 19.33495023 19.85860555 0 145 0 129 1188 10.62708948 24.21775769 0 0 1 0.491383951 0.178676189 1 692.4775312 340.2723453 0.491383951 631.3303706 112.8037049 0.178676189 0.363618285 0.973677396 1.28E-15 333.2938744 910.0046232 576.7107489 0.830550204 0.831096638 0.924153787 0.832691108 0.924071385 0.966714196 0.859653827 0.990076385 0.859809465 0.990475666 0.966714196 782.7053339 1038.56823 627.2589599 871.3754486 1117.46305 642.5846587 927.1601109 298.6623748 1580.620081 356.4526852 863.7349301 271.2378298 866.1528528 261.9184657 1545.40965 698.130877 391.9000133 717.3535225 734.5388518 623.9748816 595.5128694 1106.734395 452.1081159 874.659527 322.9343685 268.1997298 492.8193357 347.0176096 391.8165887 696.2083224 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1102.698817 446.6346521 1043.743067 682.3025399 712.6449963 575.8083995 154.0201694 1952.138654 439.7898752 No_result_found_in_bank_inhouse +M448T1134 M448.3512T18.9 448.3511979 448.3463983 448.352946 18.89869339 18.68050367 19.16307779 0 80 0 72 [203][M+1]- 705 10.01816488 22.85725431 0 1 1 0.515165607 0.210015597 1 526.5665564 271.2689794 0.515165607 500.5418009 105.1215849 0.210015597 0.407666183 0.905107036 1.24E-09 259.2492811 781.9038756 522.6545946 0.912306543 0.912049334 0.907981747 0.913769063 0.905542086 0.933686579 0.859653827 0.949139883 0.86071785 0.949936104 0.933686579 632.0035888 729.0895078 342.0493401 595.0597827 1146.193379 336.7607312 543.1790991 305.4958243 1234.932957 176.4529414 479.1540041 243.9030464 551.5361496 445.8760373 1208.369815 545.485494 324.0264653 273.2864484 599.2312523 430.346327 317.5643555 524.4830651 430.9718445 637.7355299 403.1877368 237.0380191 753.0292644 249.024843 759.2004585 1071.505906 294.1317965 664.6248245 566.9373803 435.7549683 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668.1791174 336.7064118 127.542472 947.1591085 311.7909942 No_result_found_in_bank_inhouse +M449T882 M449.2546T14.71 449.2545581 449.2528459 449.256782 14.70520458 14.68833555 14.7183418 0 116 0 116 [204][M]- 967 259.594924 18.39313864 0 0 0 0.913697837 0.229742041 1 2436.569475 2226.288259 0.913697837 2325.584099 534.2844364 0.229742041 0.251442032 0.958385687 1.84E-13 1445.884588 3754.310023 2308.425435 0.98418722 0.984412683 0.944945777 0.984532799 0.943247809 0.897437208 0.963117998 0.89950894 0.962082819 0.9004885 0.897437208 846.3220299 2634.318396 3297.011468 2002.01728 2636.833258 1647.290918 1820.7604 2082.306092 2083.563524 1051.212496 915.4099247 1251.144059 1334.134519 518.0616607 1189.52993 3118.429414 4415.452351 2004.345357 1251.2608 3220.073101 2042.511157 1794.68863 12268.83486 1158.934761 1403.517778 643.8526448 1379.402043 1697.503325 3273.093453 520.5765231 1510.421613 1712.621315 1478.739109 11057.25806 691.6354197 4071.562275 1290.124427 899.0633189 1990.678995 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4530.524668 No_result_found_in_bank_inhouse +M449T1149 M449.3635T19.16 449.3635042 449.3588392 449.3656629 19.15608702 18.9012593 19.28352344 0 135 0 101 1138 17.88616802 28.31828849 0 1 0 0.523034526 0.161751572 1 866.5980504 453.2607004 0.523034526 849.2902768 137.3740373 0.161751572 0.309256013 0.975809715 5.11E-16 583.880145 1162.608406 578.7282614 0.892731184 0.892721899 0.907981747 0.894219149 0.905542086 0.896173123 0.954571933 0.777947408 0.954462699 0.77864789 0.896173123 1454.632341 1104.096198 634.5707834 1094.673693 1695.576303 723.3324989 850.1540721 440.0611987 3380.111645 662.4577185 1509.45723 566.2436213 1563.08476 577.2845833 1962.136671 753.9399749 444.112994 432.1747973 1421.746325 1059.50651 567.4424705 857.1690376 754.0433497 803.6039487 623.7064016 342.2718418 547.3162579 338.9511513 414.8247142 1148.260045 1074.708772 1086.746114 659.303158 826.9580617 791.2560673 1987.373156 599.3665072 1895.890899 427.7711407 470.8537581 1089.900675 834.3812693 1066.740925 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M450.258T14.7 450.2579717 450.2550125 450.2602393 14.70377584 14.68410549 14.72076466 0 111 0 111 [204][M+1]- 969 Inf 19.44835623 0 0 1 0.916080729 0.219715248 1 668.8434424 612.7145882 0.916080729 682.5162339 149.9592233 0.219715248 0.23984267 0.956708675 2.82E-13 328.6496235 1076.792022 748.1423985 0.975939116 0.975977533 0.907981747 0.975955476 0.905542086 0.896173123 0.906045885 0.7878054 0.906273386 0.788005285 0.896173123 153.9871257 572.9650046 1231.897005 753.377873 902.498537 417.2554373 576.0640235 531.3812631 271.2863423 372.4523333 434.2991459 232.738802 259.3041191 277.8391915 326.384613 635.474053 1313.857895 360.2074349 410.6323352 803.0511393 913.9881008 673.072759 3809.111641 303.8348125 435.4689683 312.1136902 275.3906818 436.2968561 726.1595411 198.564429 250.8499951 392.4796057 402.2101339 3026.757696 408.9765596 884.7840703 357.9654234 276.1279418 586.1445429 423.0506518 566.6188432 325.4805675 596.0791962 229.8752829 518.2577456 772.6212537 512.4625312 375.6034299 366.1188817 943.7920607 1177.256413 260.7846483 2660.003413 509.2281654 282.4484097 457.8219382 1938.359001 747.5983066 392.7536288 453.9544472 697.9821926 145.708248 909.0207578 333.544263 589.653218 747.2890794 1384.228356 324.5320068 1264.830765 904.0534476 686.3189634 439.9975931 2014.104765 258.300985 606.0138495 2273.379823 509.9788679 1383.400468 245.499455 524.8206091 842.1606562 571.5612454 400.6976819 973.0684581 604.3580739 378.8214291 250.3787125 397.1138708 380.4312856 174.68432 740.9595564 214.9981117 143.2245846 678.4048738 578.4932396 771.591404 524.05296 355.4564617 471.07054 778.7073729 650.7197892 256.6452095 1379.261029 401.5255697 87.75610389 1737.825147 481.0027958 918.3043193 1457.594229 465.2729282 436.3200688 444.5757338 2167.339917 383.2589278 128.8724853 170.5448811 593.0907894 56.9931114 119.2158392 235.9480152 1318.884235 676.8681917 1019.144092 No_result_found_in_bank_inhouse +M452T907 M452.2783T15.12 452.2782931 452.276432 452.2798933 15.12477201 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4224.397312 1084.849606 1539.080768 1177.921855 1411.945993 1730.798545 2628.069136 2214.131543 3485.603919 1778.075519 3046.047113 4639.47624 2317.260899 2816.888434 1267.4608 1673.23148 2150.823007 841.8068884 1552.233488 1787.479013 2401.285335 1767.972833 937.4065215 2447.340916 2777.484393 1661.208818 1410.213676 2188.670215 1163.11884 2440.137853 1801.468291 2094.016013 1259.935924 3033.141208 1986.834237 1643.144105 1119.150796 2721.237139 2025.960023 1288.919602 2421.844512 5814.460447 1452.909533 1053.847227 1631.635593 788.057077 1712.187746 1716.30905 2544.560559 1510.873362 1758.156583 1346.62633 2622.435305 1031.343341 2425.063252 1593.497993 1628.416656 2506.582643 2895.758329 2152.844204 2813.450543 1821.955655 2016.376256 1507.711103 1414.325469 2170.738119 1310.137371 2819.010158 7078.503211 2289.445452 No_result_found_in_bank_inhouse +M452T829 M452.2782T13.82 452.2782264 452.2758245 452.2800847 13.82156559 13.76948082 13.83681787 0 88 0 88 1036 62.22961014 24.36327986 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173424.0987 187769.2661 179691.2129 174870.2797 186280.5358 181898.8713 193661.7374 176663.1494 170822.8263 185224.8573 173976.6723 178602.022 177143.1954 170326.7288 188634.4219 188125.3409 175271.6123 178231.1927 175191.5435 180242.798 190869.1871 184658.4446 168665.1363 177324.7347 189090.8957 188234.8514 192741.4403 175999.0701 178319.131 181755.2088 186254.3604 183972.4229 177964.2967 176452.8778 178288.3533 173499.2249 175153.9803 188915.9305 181150.9396 181550.4718 189211.3488 176881.5389 165522.7599 188735.0343 169638.3856 189302.4355 191495.9255 183183.6277 177301.9991 189440.0849 180546.2687 186885.5437 186289.4759 172709.9031 183562.1938 189500.1363 180750.1013 186167.3727 180292.2232 174074.5342 186547.4754 No_result_found_in_bank_inhouse +M453T907 M453.2818T15.12 453.2817906 453.2790379 453.2851655 15.12374721 15.10440655 15.14643718 0 100 0 100 166 Inf 35.33783645 0 1 1 0.426272207 0.21564797 1 534.0376163 227.6453933 0.426272207 463.4349695 99.9388102 0.21564797 0.505892634 0.950867285 1.10E-12 303.607193 744.3332025 440.7260094 0.723119995 0.720593782 0.828852751 0.720956819 0.82588821 0.896173123 0.548745815 0.999878042 0.553480231 0.999878616 0.896173123 420.6298109 207.2635182 673.5878687 667.5261472 1196.721622 286.8051964 299.3260011 985.611196 509.6360464 224.8338985 192.748382 550.453528 560.709798 277.5663665 333.671014 549.2507997 223.9814113 314.8430549 671.2014596 721.2330298 461.4843877 887.8618092 396.6384976 340.7081875 411.4056854 335.5581343 387.6694439 786.8569619 334.9346149 108.3696989 573.0594431 994.0005323 618.5525933 185.1157743 525.5140183 355.9799323 309.9283645 352.3285278 748.271784 614.1993221 491.6804375 735.7720583 461.7167251 365.532653 540.9790977 534.7052157 469.1870205 332.5424642 747.1694875 264.8831676 624.8007833 282.2220439 462.7899577 945.216533 306.947304 363.0441027 292.1299369 446.5175055 516.210615 739.2219904 511.0941919 846.8914648 513.8518139 836.6422849 783.9505299 352.7016421 690.2190029 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605.6290588 272.2039 174.7141634 217.3397919 395.8677385 395.665546 543.4548872 250.5058716 405.0412852 489.3558536 355.0905546 418.5188963 312.3266748 78.864516 148.4995453 410.8091336 195.1667263 276.8074383 102.7251419 571.3365506 339.6581646 790.1275655 335.3853786 340.5714926 234.6962323 122.99999 243.3004468 238.0448204 371.9347416 433.0423329 305.5180979 163.9677922 238.544509 120.1252587 374.7061412 199.2813255 303.6589502 194.0217986 90.10561781 185.9750089 311.9778877 234.5109846 350.4675672 130.6001906 289.2407145 247.9479781 523.5799696 276.9113468 62.6793087 345.1954963 138.5597112 No_result_found_in_bank_inhouse +M454T48 M453.9262T0.81 453.9261611 453.9254534 453.9270748 0.805848958 0.787083333 0.823266667 0 306 0 306 [209][M+1]- 16 Inf 280.7769449 0 1 1 0.054855236 0.042458819 1 14913.45408 818.0810464 0.054855236 14951.08254 634.8053064 0.042458819 0.774015789 0.772346067 9.78E-06 13516.44217 16344.36693 2827.92476 0.122882297 0.113122686 0.745030178 0.108344953 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16046.37408 14551.75786 14681.15052 14448.11822 14779.44839 15484.13156 13940.15094 13924.67737 14010.58196 16059.18091 15715.63728 16144.40556 14989.3938 14355.53486 15410.80183 14525.9622 15954.26238 15118.18942 16031.31781 15514.25902 15013.1755 13987.97752 14434.97201 15625.6932 15146.6248 15693.57221 14683.8622 14259.59927 15656.15484 15268.18084 15245.36362 15557.01547 15696.92133 13913.72961 14541.71523 15139.49888 15653.85342 15070.54271 15139.51267 14358.03385 14255.70335 13942.3818 15479.48151 13806.04664 14785.26524 16110.38089 No_result_found_in_bank_inhouse +M455T48 M454.9272T0.81 454.9272318 454.9261769 454.9282137 0.805866667 0.787083333 0.823266667 0 314 0 314 [209][M+2]- 16 Inf 235.4041504 0 1 1 0.070337145 0.069383438 1 5674.057738 399.0970194 0.070337145 5763.494186 399.8910437 0.069383438 0.986440931 0.821317909 8.71E-07 4835.465401 6561.970514 1726.505113 0.975939116 0.975977533 0.755557592 0.975955476 0.747075902 0.91798044 0.433660029 0.778601981 0.440657879 0.781111551 0.91798044 5620.627536 6012.104629 5631.071608 5515.23114 5389.353451 5697.954713 4841.306771 5869.296684 6649.23011 5479.118906 5678.04353 5488.631183 6372.11638 5754.15235 6235.510734 5531.660211 5656.278959 5780.893398 5877.827223 5510.596676 5280.424777 6236.051417 5279.170807 6332.273034 5715.702896 5896.128274 5484.348141 5434.036399 5474.401923 5246.567619 6178.80255 5487.023574 6088.882497 5978.673369 5248.29584 5410.981546 5789.814438 5349.303204 5261.831468 5681.927833 5544.621036 5319.161346 5216.592376 5796.22448 5711.112752 5508.925979 5474.064945 5755.503777 5490.951083 5949.035557 6371.512542 6630.835913 5568.853045 5712.46657 5726.61796 6053.092138 5841.661323 5252.678813 5681.280475 4890.55786 5807.826955 5798.833721 5539.785316 5653.82327 5832.844859 5790.347075 6012.384187 5907.330103 5657.251229 5436.380882 5636.376312 5875.081099 5200.26401 5331.459098 5928.880661 6375.321197 6050.801116 6043.596925 5353.208008 5630.793084 5411.709212 5813.318259 6172.768721 5665.046664 5905.615891 5438.994636 6006.111406 5584.102044 6656.143999 5604.382148 5282.449724 5425.18858 5574.253467 6039.38871 6024.947057 5689.663848 5871.140544 5235.141941 5324.797122 5474.108736 5042.666498 6441.851771 5773.606987 6084.542144 5156.932247 6218.895069 5647.550261 6194.142358 5847.524589 5103.449136 4932.137614 6084.83357 5328.714741 6313.310041 5516.59548 5498.71566 5282.9373 5191.032857 5168.856103 5602.730881 5739.587988 5517.270316 5057.196572 No_result_found_in_bank_inhouse +M464T934 M464.3146T15.57 464.3145902 464.3118767 464.3169892 15.57053123 15.55595453 15.60017818 0 116 0 116 1178 65.49838118 29.71316936 0 0 1 0.486950374 0.212941071 1 499.1195032 243.0464286 0.486950374 445.3211935 94.82717199 0.212941071 0.437295221 0.949731567 1.41E-12 257.2517563 648.7524641 391.5007078 0.009174736 0.009778296 0.907981747 0.009853634 0.905542086 0.896173123 0.183362278 0.172733506 0.182392719 0.171445965 0.896173123 295.3499219 200.9477767 371.7934311 403.0657758 477.5972478 344.8644677 609.8169192 898.5335254 241.9578602 263.9248879 245.1605944 328.0219709 382.2429886 222.1354077 223.4936271 551.2497186 194.583478 324.4933115 606.3360162 521.2057446 432.600768 840.8786012 556.8214704 373.5307836 443.0248829 524.6804495 723.1573154 673.2240867 279.5115607 140.3620552 355.2885825 1017.616056 492.6257438 326.6222666 378.7428411 285.9135673 463.1050288 406.6710225 446.4995878 340.5210865 808.6783878 290.9304584 641.0830658 277.713599 492.5394286 655.8129929 243.2293475 279.9561662 982.2040524 257.1281673 395.2476896 328.3596191 419.5706244 590.8985402 336.7855789 211.0883265 316.9191876 329.8993796 500.6660526 660.9927404 520.7382196 571.5889665 537.3180761 476.3227633 1136.33911 555.6623248 745.3242147 263.208901 432.2127609 418.7019481 186.7653918 212.1851178 461.9898707 514.2563346 317.0668279 308.3800655 604.5986637 635.8710084 542.1806798 327.8550482 639.2401122 623.3800213 499.4888385 444.1241793 345.7331439 420.5161786 894.5354003 473.6573551 330.4780145 284.925807 644.5577708 545.2741847 201.5328879 352.0518693 612.2223747 614.1541023 559.4274992 325.3644892 144.3856639 304.1571761 189.3714205 648.901152 512.5189822 235.4112613 344.8644677 1046.084323 505.5695722 946.1214082 939.9374635 377.0054886 507.9895184 824.3737527 794.9480329 646.6827553 448.24954 217.1690602 459.2753305 291.9747456 182.4220106 219.775089 521.7172401 791.4852693 856.8256977 No_result_found_in_bank_inhouse +M465T1054 M465.3584T17.57 465.3583814 465.354932 465.361512 17.56958107 17.45224499 17.59504678 0 140 0 139 531 27.24761062 21.39693116 0 0 0 0.690063765 0.212617328 1 474.814942 327.6525866 0.690063765 450.7182775 95.83051583 0.212617328 0.308112581 0.948495676 1.84E-12 184.1868106 660.4081896 476.221379 0.073946303 0.070022797 0.748298881 0.071576364 0.735276384 0.91798044 0.059730293 0.840052954 0.06062989 0.84094756 0.91798044 514.2298077 560.0359873 226.8660916 510.8688285 797.9911921 319.2930178 487.9283494 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747.5158457 993.1693344 1254.672899 503.5516709 495.7444224 378.1101527 120.1793964 300.448491 224.7354713 646.1482387 256.274659 349.54183 252.9136799 353.743054 302.8520789 588.1713486 298.0449031 382.1704806 240.3100082 76.9148137 272.2393099 398.9955961 340.1076918 435.049415 450.3712041 542.0090778 243.9641747 657.0714209 205.859972 97.34531109 603.30057 222.3318834 No_result_found_in_bank_inhouse +M466T932 M466.3302T15.53 466.3302235 466.3266388 466.3341608 15.52531469 15.50706722 15.54452373 0 130 0 130 1164 26.08036355 27.24249156 0 1 1 0.446505103 0.226803096 1 331.1242513 147.8486679 0.446505103 319.7886045 72.52904559 0.226803096 0.507951857 0.950184929 1.28E-12 176.8005749 543.2272812 366.4267063 0.013106231 0.011659983 0.715391897 0.011763316 0.695696123 0.895228214 0.010204339 0.699823706 0.010656664 0.697507398 0.895228214 270.6455491 368.2123834 288.069471 273.4990041 450.0786907 243.1338334 267.5292037 549.5606579 264.4819442 212.2074127 101.366332 199.7050494 161.37666 84.76842832 156.1304941 199.94567 189.8855737 155.8132463 279.1544816 736.3780687 522.6612123 623.9535921 375.3786779 297.0713472 372.4616388 239.4017741 274.54367 835.1083508 412.0439797 156.3949478 231.1663073 549.1498929 276.3617923 401.7819199 316.7609407 225.8214393 191.7644179 317.3383809 427.8817693 617.8533362 526.6177189 276.036844 288.2049414 280.8958654 323.7021001 224.2251162 313.2435544 235.4932617 366.1771253 246.7372268 265.2907623 199.099631 333.3014818 377.6494612 200.6054552 150.9675727 123.9873217 218.8797479 413.0666154 509.1355226 318.0674398 380.677805 490.8343583 328.6414545 575.7737096 183.9234883 606.5008916 236.2854388 259.1080256 422.0110306 138.799125 191.9695482 321.9627449 313.7501353 204.126941 265.4514987 444.1876092 381.579288 485.2334627 195.452382 290.8522586 336.0785641 253.7384929 347.5367684 478.5262723 396.0377027 398.4801217 448.9712687 203.644761 163.6299135 291.1131193 241.3827903 237.157579 292.3521805 272.2255687 359.4490389 298.431573 411.4754373 140.960153 341.6074857 162.4778121 284.1131168 316.8283528 207.6631166 216.2029797 662.9993458 271.7827313 488.9428271 641.3704735 204.2418189 343.800278 264.0965391 498.7793123 580.4720417 458.7993223 197.2871135 301.3457688 322.8707881 144.0097322 217.0167821 472.6976497 345.2542001 647.8605864 No_result_found_in_bank_inhouse +M467T1107 M467.3144T18.44 467.3143796 467.3113238 467.3170578 18.44443794 18.32177003 18.58128684 0 195 0 127 139 6.916273647 28.10985676 0 1 1 0.531507031 0.223430982 1 400.8967087 213.0794195 0.531507031 383.262872 85.63279978 0.223430982 0.420372579 0.943561919 4.91E-12 196.5245358 591.9271789 395.4026432 0.975939116 0.975977533 0.9963236 0.975955476 0.996349689 0.915966112 0.993606802 0.989714906 0.993690738 0.98888698 0.915966112 374.2028653 439.9451054 203.1691514 510.2437456 1245.571474 332.5673116 669.4590941 135.0543959 1071.573932 402.8956323 480.8000897 228.70231 522.3570437 205.0457239 1387.483682 296.4151422 386.286804 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767.7707611 242.8098687 357.0672356 294.6590463 146.3419609 400.9677851 251.2946975 376.2990663 182.8351253 68.39217838 272.1329217 260.7286437 310.2314108 788.1367826 343.9434022 495.7807912 247.1803224 303.8507415 447.994646 75.97525915 762.1667427 246.1960821 No_result_found_in_bank_inhouse +M467T1129 M467.3742T18.81 467.3741803 467.3715369 467.376455 18.81361888 18.67523332 18.83223506 0 390 0 328 [216][M]- 90 48.07219166 29.22877761 0 0 1 0.51700205 0.130483105 1 3884.672444 2008.383618 0.51700205 3512.934383 458.3785877 0.130483105 0.252384116 0.983202917 9.58E-18 2629.842254 4334.041949 1704.199695 0.975939116 0.975977533 0.907981747 0.975955476 0.905542086 0.95806807 0.911300213 0.825522489 0.911952536 0.826905887 0.95806807 4563.778585 3912.359435 1897.981182 4020.633711 8286.3618 1489.487823 6461.140654 1369.202788 3785.922323 2197.528725 3587.835651 3169.316823 5155.265291 2682.518392 8593.788294 1906.625223 1339.706924 1501.031259 5055.483555 2422.970795 2519.798851 5068.343531 4382.98245 4075.099493 2641.590389 1621.86993 1978.894524 1869.991822 2472.79092 5709.844967 2348.080346 5386.170426 3410.186616 2981.245053 4152.259349 6638.686011 2938.551092 2469.969046 2250.495821 2789.858349 3927.280195 2479.724573 4609.923205 2080.209235 3545.571064 7666.619425 3283.832726 514.3582253 5932.155774 2399.520251 2019.016251 3258.112774 4490.401074 2936.799904 5292.377405 7046.510446 5185.303786 5367.303479 2244.716111 4379.064808 2088.978525 3179.439979 3236.317974 1613.08503 3258.969737 1744.853372 2314.039233 3613.65329 3988.26403 2926.779272 1576.481779 7038.797008 8661.360343 2916.188703 1777.702582 2658.232711 3956.333831 3096.984838 6577.41793 2816.401644 6521.728473 2778.616648 4167.388733 5752.031258 3846.645799 1891.562524 4445.571395 6064.673536 3170.006223 3126.487136 1796.614311 4311.746886 3414.701895 4321.899966 4259.821037 3547.084002 2679.413849 1881.634712 2063.220703 3102.184126 3108.331876 2458.524847 3407.137203 3319.386778 4283.128518 1983.19349 6701.560498 1639.716456 5016.043193 2506.182406 1047.588365 3073.534293 3804.780746 2088.262215 5415.819904 2224.775869 6606.485667 947.6306045 5960.977167 3881.443381 572.2449102 7041.755863 1191.812361 No_result_found_in_bank_inhouse +M467T1145 M467.3743T19.08 467.3742696 467.3716185 467.3764819 19.08484318 18.95262108 19.14162825 0 272 0 267 190 30.68493082 25.813316 0 1 0 0.565160094 0.13579387 1 1846.231026 1043.416101 0.565160094 1768.906281 240.206629 0.13579387 0.24027505 0.958500493 1.79E-13 1120.466587 2355.576117 1235.109531 0.970352632 0.970573672 0.828852751 0.970869742 0.82588821 0.91798044 0.789342171 0.65442335 0.789874767 0.659018736 0.91798044 2532.995916 1875.524595 1703.46105 1788.34427 3067.313641 1226.253672 2356.671833 810.3532426 3798.530825 1277.25599 1331.06851 685.3182696 1736.245131 1232.939797 5066.290488 1866.028268 810.4818746 786.612425 3512.117802 1427.750886 896.5739724 2252.629883 2350.010944 2007.09309 1376.218865 676.1057547 1049.34414 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376.6876401 1802.861441 1601.713831 794.5260308 1870.776431 1238.998418 2807.747368 701.1454814 3054.024155 1595.507041 390.9321307 4070.758867 764.4543285 No_result_found_in_bank_inhouse +M467T1199 M467.3743T19.98 467.3742806 467.3694725 467.3779458 19.98417679 19.9364111 20.00551924 0 127 0 127 1134 3.145446233 11.41781348 1.38E-06 0 0 0.588496422 0.215362133 1 294.1220599 173.0897799 0.588496422 281.3789072 60.59836173 0.215362133 0.365953174 0.845478697 1.99E-07 139.7141167 419.8045813 280.0904647 0.019451558 0.016775913 0.715391897 0.016789343 0.695696123 0.897437208 0.013639741 0.766801523 0.013839283 0.767818023 0.897437208 183.7431529 209.8293945 271.2913611 205.3599945 368.6452206 180.5006267 340.732136 132.8277818 447.5718736 169.4035478 213.6794751 205.9793139 325.3318135 109.727298 579.4371352 517.8358451 221.5726256 133.790302 300.4740972 265.8871507 208.6025207 220.4917835 284.261466 343.7077802 241.027783 154.5604169 200.2041929 124.2968388 212.716955 221.3796364 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293.5686483 377.2138846 485.1101597 194.429072 381.5372529 216.1684152 95.28949566 648.7385866 198.2791526 No_result_found_in_bank_inhouse +M468T1129 M468.3777T18.82 468.3776667 468.3743512 468.3799982 18.81551036 18.67053701 18.82941222 0 306 0 286 [216][M+1]- 90 23.75044248 27.96115866 0 0 1 0.504639322 0.165339393 1 1228.712521 620.056654 0.504639322 1119.509318 185.0989914 0.165339393 0.327638743 0.961865554 7.16E-14 790.3497725 1524.764864 734.4150919 0.786431532 0.787082975 0.828852751 0.791662897 0.82588821 0.91798044 0.701085511 0.664873869 0.70256633 0.667400811 0.91798044 1354.555576 1305.032989 929.2012037 1389.690296 2082.020894 691.4811854 1706.854833 552.3219764 1117.323848 689.6132348 910.1370347 1195.793357 1795.84139 1035.467885 2656.729764 700.4062821 424.6068252 508.7870128 1668.525412 935.1815816 692.2287326 1344.089915 1406.883882 1224.482359 872.3876145 494.8762646 1133.849441 297.5237965 957.1228225 2051.790334 730.3536412 1908.542771 1109.662737 975.5491319 1521.258608 1983.647483 1040.176925 868.1877424 1042.080835 665.3170325 1370.308704 958.0893981 1568.354083 630.0285075 1089.17631 3319.052898 1163.183486 133.959478 1703.069129 784.9245888 679.5204298 1155.708014 1191.590281 1212.669921 1355.965103 2046.784309 1490.161217 1268.727336 956.7640241 1871.049667 755.2070068 882.8532756 1153.61737 477.648549 711.1779556 669.6098937 854.446481 962.840829 1238.256963 845.4759143 530.7585315 2666.314065 2782.767373 1116.088011 553.1849483 910.5125231 1509.297852 1252.141606 1815.283605 1116.93372 1330.11224 868.3980882 1646.846542 1387.100532 876.8728978 743.8515659 1544.674799 1780.74665 726.1662202 1492.104266 646.6283518 1472.667254 1109.360086 1324.110043 1175.254415 1141.504616 1082.448385 501.627228 819.8300479 1000.380852 811.0887418 727.3634523 1187.852544 772.216286 1428.562752 661.102057 2071.453367 690.1076162 1858.489289 876.8728978 232.6140195 1029.372532 1370.378027 543.1821864 1789.074587 627.1921239 1964.541709 334.4729029 1906.24543 1358.293312 158.2264826 2133.815681 444.0381215 No_result_found_in_bank_inhouse +M468T1146 M468.3776T19.09 468.3776461 468.3730962 468.3798291 19.0921736 19.05539521 19.14099796 0 146 0 145 156 11.08785585 22.82580669 0 1 1 0.533367744 0.176634056 1 639.9358465 341.3211387 0.533367744 607.7147296 107.3431179 0.176634056 0.331167489 0.943841208 4.65E-12 405.1043484 878.5338372 473.4294889 0.952060287 0.951524026 0.825939361 0.952287767 0.818499383 0.91798044 0.646752256 0.70112841 0.648342483 0.701953625 0.91798044 999.2238518 563.2651713 611.0754807 545.8941599 967.9437604 429.5745872 721.2739114 185.2319524 1139.379909 365.9619277 477.1391193 349.5478312 815.0972852 555.4900093 2083.680308 678.8540706 293.8138123 191.8489662 1156.046688 542.9966718 399.822658 868.1902749 789.266954 688.1699036 476.3232359 245.7112052 435.7843249 372.7560316 444.1446717 1012.426425 594.2388787 735.4524182 544.7798141 606.4255827 569.8600516 1184.151379 625.386393 338.6871704 532.9628012 323.2452253 1122.084195 475.3782075 665.7452833 644.5837306 346.6563763 1787.553631 473.2452837 184.9388244 942.2494717 589.8707188 475.0211766 677.1002472 658.0684965 404.9573454 1319.114075 1264.062605 580.3230846 634.6926503 793.9718475 659.3409574 388.2197802 757.4516488 801.0587443 348.8740124 516.6674789 247.0829834 351.8396775 463.7466558 855.5151403 527.2965486 218.6546686 1554.927129 1149.267188 524.6666566 443.6725033 308.0264931 645.3151584 551.5228907 911.1401547 542.2133595 1055.922253 513.2807792 523.0441103 908.062053 486.5571713 299.9354938 715.936494 1793.037267 959.6137128 970.6100328 365.3912442 896.0632395 650.0319033 1771.528647 489.980607 786.6739386 701.6750173 170.8956189 231.4494973 365.4402575 641.9045139 622.2087345 412.03341 326.187912 703.8793896 351.8585023 677.2714638 504.5747203 1118.524885 379.2506149 306.9666912 538.030649 523.4667124 389.6142301 613.1665242 526.2337743 752.1503528 275.022155 878.1712555 549.1052221 201.4995629 1547.838229 521.1325246 No_result_found_in_bank_inhouse +M471T47 M471.0197T0.79 471.0197483 471.0180024 471.0214019 0.788876515 0.771699645 0.8062 0 321 0 321 [220][M]- [M+Cl]- 436.05 [M-H]- 472.027 16 Inf 69.04163979 0 1 1 0.241624063 0.159671282 1 1859.884661 449.3928889 0.241624063 1688.790307 269.6513134 0.159671282 0.66082525 0.877032163 1.88E-08 1204.749083 2364.531431 1159.782348 0.057693618 0.056622378 0.828852751 0.058189596 0.82588821 0.930722271 0.147741299 0.610518283 0.151555808 0.60997047 0.930722271 1929.116197 1685.739506 1989.632896 1697.918721 2478.332596 1740.891297 1116.573376 1784.761715 2175.922929 1521.311939 1557.767226 2090.356906 1838.948187 2333.516437 1634.713225 1775.865629 1361.930417 1333.11399 2681.921689 1478.254061 1928.862604 1952.148959 2058.90114 1574.094518 1900.791092 1827.762317 1284.302518 1315.285323 2617.823867 1530.158331 1923.52067 1971.570791 2380.399215 1639.959509 1379.233062 2033.410938 2269.376122 2043.997881 1389.096062 1787.904518 1911.16558 2227.683799 2702.95339 1520.325913 2128.110266 1396.408936 2749.640081 1801.016354 2397.078054 1157.76575 1514.96346 1522.463574 1761.160291 2131.902961 2005.265948 1601.268852 2457.095718 2479.210454 1264.904197 2380.546184 1139.487849 2243.114476 1738.817675 1896.863691 2158.050119 2187.974461 1739.381423 2086.920165 1458.926203 2608.313548 1992.732472 1817.602093 2847.012551 1909.236775 1611.336771 1436.199495 1351.224849 1514.682305 2220.908692 2109.676719 2467.944549 2330.34454 2186.01736 2032.03184 1544.044592 1257.12077 1483.39464 1605.632718 1585.72508 1747.296147 2050.711003 2057.597348 1425.275143 1775.100677 1744.565905 1679.861595 971.364306 1438.012549 2070.04179 1426.848695 1817.370963 1079.829342 1611.589404 1456.357284 1902.41306 1223.004384 2580.055676 1913.597037 2051.052687 1482.798524 2156.68748 1800.640803 2332.279038 1519.983771 2283.862634 1590.726378 2351.815167 1575.268984 1069.525372 1563.097975 1340.499232 1987.080902 1323.816522 No_result_found_in_bank_inhouse +M471T912 M471.2962T15.19 471.2961933 471.2938821 471.2993305 15.19405376 15.18286774 15.20475376 0 76 0 76 955 79.57894737 33.51840026 0 1 0 0.480506455 0.246594643 1 522.3717901 251.0030173 0.480506455 498.932689 123.0341283 0.246594643 0.513197357 0.964962994 2.86E-14 236.5314209 731.8322596 495.3008387 0.975939116 0.975977533 0.946954697 0.975955476 0.94468685 0.926511606 0.966176257 0.89896038 0.967031738 0.8973999 0.926511606 264.0325516 289.3968469 291.7302774 552.3910953 378.7544698 326.9375818 214.2552094 425.4641363 317.8288178 611.2873748 288.3814193 352.3533539 397.0321653 630.5804979 359.4613466 599.1022444 379.8419082 400.0784479 469.4769004 336.4221464 491.6597609 384.7544266 705.0493244 588.2799625 432.0043234 660.4144756 463.034955 837.7730393 372.6619046 385.8624625 319.7082187 775.7866351 336.1065134 235.7547417 414.8315147 376.7236147 102.5581808 156.3758401 190.1781081 173.409165 209.1780718 414.2944334 265.6429399 628.5496428 178.8557355 308.68997 371.744899 483.3435056 399.0630204 676.8255809 327.03556 470.0033088 317.5326065 611.2873748 364.5384843 299.7751381 315.7979627 325.952238 511.7754766 947.3938882 137.0827169 389.311775 237.6100427 435.6184116 652.9199036 451.8652521 552.3095281 272.9600147 182.7769559 488.9968145 435.7260219 672.2130268 456.9423898 361.482245 235.7790986 418.613701 428.6766534 544.1400981 416.3252885 501.6212012 362.5076292 265.0265861 632.845328 354.384209 539.1327672 320.8751004 702.6758527 366.5693394 182.7769559 378.517379 405.3412321 528.0223171 325.8923061 311.7362526 315.7979627 465.783326 311.0348483 514.8217592 411.2481508 1037.766939 189.6938119 560.9034025 292.5755536 413.4801079 507.4654555 708.7684179 671.7868547 505.6829114 469.1275202 346.999284 227.4557674 757.7199382 560.5159981 651.9044761 1086.50746 549.5197826 549.3462953 396.0167378 445.3161704 191.1096804 489.4360708 247.764318 702.6758527 No_result_found_in_bank_inhouse +M472T47 M472.023T0.79 472.0229733 472.0202593 472.0258363 0.788876515 0.7871 0.806116667 0 73 0 73 [220][M+1]- 454 Inf 55.0850308 0 1 1 0.324048447 0.256243566 1 259.4020755 84.05883978 0.324048447 242.1353163 62.04561681 0.256243566 0.790756962 0.772050162 9.91E-06 111.7787417 402.1094841 290.3307424 0.944873018 0.945782364 0.907981747 0.946659897 0.905542086 0.970545484 0.853760516 0.902843964 0.854180076 0.905553463 0.970545484 305.7512934 203.1923873 351.4811352 214.1016381 251.8499156 313.0442291 149.3455184 174.6901151 325.5468414 214.4394281 309.1038205 314.0337556 307.9940917 373.0273639 195.8667452 165.5061241 161.7090269 316.5889515 450.9805749 221.4618935 192.4074028 228.0235983 295.5690008 175.3126119 196.4817312 237.9574178 363.3815901 206.965544 630.7444037 274.2008306 292.1850235 292.358848 266.555646 151.7415213 342.4047499 345.2056647 166.9098747 259.2054665 178.714075 340.6091468 340.1848192 365.3664954 486.9100774 265.6765351 268.0564877 260.4215357 293.5873728 215.7603334 265.2811105 150.6895177 135.4436449 148.5994901 272.4507583 212.473624 253.7199291 238.8855959 294.9255638 320.8758481 216.659359 383.035579 339.5184795 281.5441212 237.1280784 220.5065381 193.0945501 356.698356 192.2348017 211.7118961 222.23415 426.1574755 240.6480386 296.3404675 442.976285 184.7879711 276.7502638 199.4878035 121.9694274 156.4450067 343.4293734 278.4644398 356.9774141 203.0616103 184.7988449 211.613168 332.7387773 270.6967318 232.4807609 387.4867452 263.5965157 139.8904968 291.7695288 328.1660263 193.3097604 183.5860897 221.0532435 182.478962 198.5562504 261.5933354 262.5906724 291.5479951 251.0284602 148.1519156 217.0980193 234.84289 299.2391984 148.7987454 255.8814952 249.2075966 356.3243098 329.4838939 207.7223929 316.5113967 308.1512651 211.5765672 205.5949009 246.0628723 198.7143293 280.0179523 117.8650359 259.2347483 221.1842074 263.3162333 210.1874625 No_result_found_in_bank_inhouse +M476T877 M476.2783T14.62 476.2783256 476.2767086 476.2798297 14.62396626 14.60158952 14.64429936 0 314 0 314 [222][M]- 964 606.4627671 29.25027907 0 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2549.43886 3487.88896 2603.241953 4779.262245 4045.57871 4252.513683 9127.901633 3874.857358 11070.94597 2078.205388 4635.343382 6682.416461 2963.953483 2679.807893 2646.698297 5754.723386 2187.762545 3744.075868 7100.850922 6486.154381 3473.403512 1933.807317 2844.321196 4944.711166 6890.773766 3097.816537 3260.877146 4264.929781 3654.471613 3778.632596 3565.489574 2064.905577 4097.30365 4668.452977 2202.054783 2692.223991 3739.314951 7010.522924 2270.070166 2496.670442 2102.45932 3503.409083 3330.237293 12653.12506 1373.322133 3684.714783 3759.304608 9406.229171 5015.036054 3496.166359 2113.840743 2074.06955 2707.744114 8251.266671 3333.722405 1899.663047 1127.7956 2727.364326 3061.602917 5095.773695 644.0077541 1595.909398 8889.926414 16880.72037 7621.415034 No_result_found_in_bank_inhouse +M477T877 M477.2817T14.62 477.281698 477.2794406 477.2834821 14.6243539 14.60235929 14.64817714 0 216 0 216 [222][M+1]- 964 183.6873156 28.74434501 0 1 0 0.620583212 0.16682894 1 1267.525597 786.6051061 0.620583212 1099.7484 183.4698603 0.16682894 0.268826061 0.960603288 1.02E-13 671.3461968 1661.856979 990.5107821 0.211979724 0.207176457 0.787240672 0.210967857 0.79517269 0.91798044 0.176994367 0.913996348 0.176569102 0.913037985 0.91798044 1287.61753 1136.997487 2250.90111 3942.136211 1086.229227 938.3152945 822.8688791 1335.839839 1185.650403 666.3334111 352.204803 864.1180903 446.3376183 984.6927076 329.9936893 604.9884304 1206.172536 759.4085543 2697.024937 3129.308309 1696.873554 2806.124131 1740.102907 761.3901355 718.8443472 677.7135919 670.5640995 1368.320853 675.8524599 422.0111604 1224.912164 1340.070527 456.9143391 980.1984612 881.6595009 547.874138 1188.823419 681.1408203 2321.883071 1359.056614 418.8381441 803.8307817 933.9737666 593.3540375 1008.899027 1753.620311 777.4449635 521.432336 1160.266273 649.5570937 911.925242 1346.051861 431.3460274 1813.907619 397.6847025 837.9568876 396.6270304 491.8175177 626.141872 803.8307817 741.4281289 1301.857963 1109.498013 1177.189026 2478.125686 1006.903821 3042.840189 765.2736338 1207.861517 1480.782418 816.7512548 581.7196446 937.0974639 1830.330433 569.0771838 1036.988067 1955.115076 1424.739831 972.0006426 422.0111604 829.2149116 1594.969498 2343.7442 737.1974406 1041.221949 1206.803845 758.3508822 805.9461258 823.9265512 752.0645447 1017.799883 1372.858361 636.5139365 752.0048497 932.8667756 1771.493767 655.1290334 710.7556385 613.4498071 950.847201 1069.046576 3384.544997 398.5638585 1016.785971 897.7277331 2568.027813 1189.382847 832.3879279 574.3159401 653.5839529 630.3725604 1532.549181 911.713334 533.0667289 343.7434264 881.1825374 631.4302325 1419.395933 291.8205576 457.6560156 2184.092848 4722.505842 2070.921935 No_result_found_in_bank_inhouse +M478T929 M478.2939T15.49 478.2938708 478.2914413 478.2960944 15.49030883 15.18535583 15.65917353 0 263 0 258 [223][M]- 122 313.0051234 30.04383042 0 0 0 0.611327729 0.161788002 1 2091.601224 1278.653826 0.611327729 1979.768397 320.302774 0.161788002 0.264650194 0.968469459 9.12E-15 1267.259879 2704.463134 1437.203255 0.838093795 0.840061433 0.917465563 0.841627699 0.916454701 0.94309074 0.847848538 0.989714906 0.850440292 0.98888698 0.94309074 1416.038538 1737.783583 1492.659802 1244.368113 2121.308148 1782.656735 1493.361192 2427.33293 1412.880649 884.2923894 997.5613022 875.3501068 777.9785853 966.7601066 1106.855867 1679.161953 1207.512315 2538.614668 4660.318614 1969.845391 2759.335371 4009.52282 1931.049815 1014.504323 1501.388806 832.1651135 1062.144454 3304.413219 1245.958041 596.1521726 1262.796011 2404.48043 1072.080324 1311.290482 1320.019487 2104.417169 1031.343259 1865.9563 2687.563554 2124.057807 1643.392823 1398.970432 588.7228717 1175.413367 1196.843532 5247.132706 1832.121095 876.3436938 3999.187491 1833.090984 2139.576038 1348.14628 1364.634399 2650.889994 864.4206503 1533.395157 1675.187605 1042.272715 1212.176084 1724.866953 1251.919563 2320.945357 2439.255973 1525.155975 5258.062163 1484.41891 2107.569687 983.4678615 1682.142714 1702.155914 1530.485489 1693.07217 1292.656628 1078.517024 782.7007536 1040.691337 2579.90583 1632.323877 2057.718583 765.0619549 1733.809235 2004.064887 2114.358913 1456.598475 1980.514175 1371.149997 2196.820756 1403.938367 2542.589016 1156.108176 2598.333729 4745.371294 824.4059983 1399.964019 1313.521954 2280.210002 1872.85645 1166.471084 1027.368911 1086.984128 1514.967258 3250.099412 942.7325063 1029.052664 917.5153816 4708.608577 1852.488773 2574.383799 2097.462061 911.6960451 1175.413367 2543.050032 1332.400106 1116.791737 1309.547606 1052.33001 1549.002062 1512.239345 337.5215146 911.6960451 2599.223473 6704.724768 3144.702711 No_result_found_in_bank_inhouse +M479T930 M479.2974T15.49 479.2973643 479.294903 479.3002855 15.49229975 15.4728548 15.64207692 0 121 0 120 [223][M+1]- 122 Inf 29.83718142 0 0 0 0.618144423 0.215370755 1 575.532757 355.7623641 0.618144423 533.8581673 114.9774363 0.215370755 0.348414944 0.969182845 7.11E-15 321.2370709 850.2290405 528.9919696 0.86493003 0.865640056 0.858784823 0.863835953 0.860184011 0.998376079 0.701085511 0.907772571 0.70256633 0.908172131 0.998376079 447.3350122 494.3244264 395.274472 284.404803 539.2630106 454.0836008 322.5591712 623.1483678 635.1319903 169.7679848 443.394031 388.4690947 256.6492476 313.5714543 247.6615308 430.4117733 265.1231215 937.7184573 1150.152305 782.8362714 798.2616167 853.2144091 952.5150691 278.6202986 697.0327885 233.3083469 462.3680998 972.7608348 419.426786 216.7038395 313.3273254 703.0391842 212.7092986 413.5920695 288.2611393 458.373559 337.5386992 555.2411739 827.184139 550.4920086 351.5195921 387.4704595 206.3139927 390.4663651 325.8604184 1442.029236 470.4730301 111.8471429 847.8412889 441.5505078 779.9440192 244.8773558 327.7885865 678.0733041 323.5578064 282.4766349 590.1934061 248.660166 386.4718243 430.4117733 372.4909314 717.2785541 507.3066841 341.5332401 1599.813598 377.4841074 417.4484058 272.8357941 391.4650003 567.845522 385.6336312 575.213878 305.5823727 309.4709891 299.8301483 205.3499086 745.2369924 408.7716491 569.2220668 265.6369645 485.3367096 664.0924112 480.1138709 279.6178574 314.2914095 464.3653703 691.0555618 585.20023 635.1319903 342.2498477 486.8624594 1017.609274 195.7090679 395.4595411 308.5782783 599.6602966 465.6526097 244.6656252 180.7529721 256.6492476 453.1195167 700.8891248 302.7224005 271.87171 180.2837226 1463.000575 403.9512287 474.3517223 576.2125132 348.0343522 421.4240564 950.586901 207.7161226 462.3680998 330.5482528 314.2914095 348.5236865 606.1715693 132.0795187 226.5597583 816.8835976 1467.993751 1106.487807 No_result_found_in_bank_inhouse +M480T910 M480.3096T15.17 480.3095562 480.3059212 480.310938 15.16690758 14.91147749 15.37244897 0 271 0 266 [224][M]- [M-H-CH2]- 495.333 7 7354.50435 80.80533677 0 1 1 0.137962425 0.036705713 1 151292.3017 20872.65287 0.137962425 146208.9357 5366.703285 0.036705713 0.266055872 0.990165261 2.74E-20 135202.2479 156549.232 21346.98407 0.20589226 0.204774797 0.828852751 0.207241951 0.82588821 0.913150866 0.397776808 0.560283294 0.400476147 0.565425423 0.913150866 138082.6623 133463.0731 172376.1597 171259.0015 161678.3311 121001.3229 128034.664 169151.7718 144366.9517 127346.3278 133710.5475 154768.0572 136717.2087 115619.6104 118173.9192 157231.2172 116372.5669 128863.3153 167712.9141 179675.028 155555.1173 177121.7572 163604.6871 150479.6034 162959.2143 156214.8532 163877.4057 169563.9408 148231.9255 97515.81701 153714.024 177511.1038 117871.7616 145996.2594 156363.4257 141668.0822 154791.6163 135307.6625 166869.0437 144872.9184 146392.469 171959.3565 144910.1326 152540.4299 153863.2207 156545.3028 139339.4614 150507.8814 172346.8734 130967.3828 161264.7851 141517.4554 144140.2541 180525.4944 131800.2214 156512.7848 123565.5399 168230.7131 168865.6184 184164.6697 152919.5989 170400.3734 154699.8053 161076.0627 195879.5603 157282.0955 172905.1565 134523.855 143481.6363 174467.9226 116603.8789 135858.8427 157203.5702 161991.2312 154214.8048 158334.7164 160562.8048 177061.009 157783.1176 142902.9004 163645.3286 152510.048 162367.5524 142337.8405 181151.3526 153607.4077 173362.5872 147177.8789 129447.7537 129219.3186 153253.4603 157943.9401 100576.2674 156182.3304 175079.0937 133673.3895 155588.2156 176001.4964 121749.9123 139075.7733 110808.4619 167765.7881 157314.2413 153498.7321 155380.9573 177016.1903 139372.0713 172329.5049 166908.938 158976.8184 151503.0922 175321.0344 167669.9081 179151.757 148809.6209 151464.0503 147751.3268 140491.0475 134235.6005 141346.4553 171339.6556 200503.0281 148074.4849 No_result_found_in_bank_inhouse +M480T995 M480.3095T16.59 480.3094967 480.3051049 480.3115325 16.58665479 16.29453053 16.62687974 0 285 0 284 [225][M]- 47 18.44703674 32.58532687 0 1 1 0.333423944 0.133602089 1 1514.789067 505.0669444 0.333423944 1442.042543 192.6598962 0.133602089 0.400697345 0.953988527 5.45E-13 965.2351636 1869.74905 904.5138868 0.174429974 0.174242765 0.828852751 0.174858126 0.82588821 0.896173123 0.993606802 0.140155645 0.993690738 0.133501766 0.896173123 1104.170801 1014.476942 968.016925 2137.59049 1277.408779 970.9149079 962.3983735 1949.716819 1755.565546 806.0032228 1124.706345 1336.72868 1462.140475 849.2226215 763.0404941 1569.646119 786.8913144 925.374532 1966.3928 1740.941454 899.6470137 2549.889303 1151.163039 941.6083392 1253.869043 1209.192022 1165.582426 1588.445823 1017.68361 522.8673217 2084.931342 2378.033666 685.8476833 1114.778258 1028.924091 1593.923581 1436.596362 1065.808622 1404.286451 1286.181965 1470.663959 1356.139223 1191.151259 1432.908921 2419.49468 1842.137251 1167.141116 1515.381515 2078.37376 1141.784612 1071.042991 1016.722339 1303.505081 1748.928927 1314.353493 1274.042811 1025.770175 1112.225298 1354.387175 1695.563401 1509.360161 2382.367415 1145.415173 1968.980213 1889.618397 1552.998043 2241.854372 831.6984631 1172.897425 1189.494568 912.1565046 1081.489666 1270.814034 1544.283625 885.4324995 921.2801698 1089.090546 3038.309844 1674.725186 1157.087305 1996.412934 1090.70406 1324.38983 1400.850015 1770.414088 1370.131043 1740.789024 1646.281325 1589.316498 1062.987062 1804.161216 1501.896803 880.2986903 1135.80098 2490.939 893.0396619 1055.120817 1376.487273 1094.737513 890.8513996 1145.307955 1412.488186 1077.525739 2094.938566 1163.341849 1921.041628 908.2841708 1778.54114 1820.358761 1059.360254 1263.315324 2617.477623 1785.698772 1372.239035 982.9593348 1382.413122 1074.849366 807.2343834 1122.800236 669.1679182 1549.499709 2716.168797 1665.959927 No_result_found_in_bank_inhouse +M481T910_2 M481.313T15.17_2 481.3129696 481.3117752 481.3143729 15.16600384 14.89127871 15.17901807 0 188 0 185 [224][M+1]- 7 Inf 73.75853942 0 1 1 0.171112609 0.052943767 1 38050.69821 6510.95423 0.171112609 37204.33483 1969.73763 0.052943767 0.309408917 0.831575851 4.78E-07 33169.75718 44395.84854 11226.09136 0.276232099 0.276032126 0.81438186 0.282069563 0.810685871 0.970545484 0.34919896 0.641771252 0.353686146 0.649215236 0.970545484 34681.71201 33733.30391 45631.0637 42789.53878 40902.16704 31578.41626 33340.45878 42419.064 38293.60417 32869.03438 35056.54725 39895.32137 34577.65074 28273.70088 30035.14161 40118.66765 28540.31341 34291.15519 42390.99372 43920.16315 37070.53628 43327.60659 43196.58614 39285.28438 40423.14221 39533.45924 41666.24515 891.745034 37958.20014 26769.0571 36266.83119 45683.75173 28366.26425 40918.73407 38526.88823 36272.45985 36564.83615 34883.91711 41984.75002 39738.15886 39327.08417 43518.6701 36225.39447 942.0089019 38091.98403 39220.88065 33685.2957 40288.85895 44111.1209 30942.78296 39950.27635 34128.0468 37767.80432 46178.8791 32653.43737 38035.33724 30733.07091 40474.15691 43889.72339 51244.61175 36903.96539 42640.93949 39423.34264 42604.86547 49098.75589 40840.70024 42748.70664 33601.25408 35512.44725 47694.95981 29259.30447 36097.13308 42121.41165 37895.87264 42059.70684 37279.69146 38217.70737 44665.92919 42229.35826 35174.81249 39832.27586 38016.45998 40936.78537 35807.11584 50143.49258 39618.48632 41533.22395 35038.99048 33149.34348 30921.35002 42080.39295 41185.25731 24126.2701 38518.27797 46267.07407 35736.11828 37551.31443 41549.57328 29146.77817 34122.15833 27854.33621 40057.14131 48191.9878 42283.91912 38463.17821 46003.19835 34816.50484 43429.05651 42428.75218 46584.92502 41089.22849 47095.24859 44894.17974 45914.96509 39399.36754 37692.00451 38467.69049 35982.18315 33318.86017 33720.50996 46585.03823 52235.66603 38772.14978 No_result_found_in_bank_inhouse +M481T995 M481.3127T16.59 481.312734 481.3100131 481.3156154 16.59118988 16.56495552 16.6290235 0 109 0 109 [225][M+1]- 47 10.00042994 25.51566488 0 1 1 0.34957577 0.193875025 1 439.4102994 153.6071938 0.34957577 413.0306405 80.07632569 0.193875025 0.554600866 0.953504701 6.10E-13 299.186337 591.1782539 291.9919169 0.230424206 0.233970932 0.907981747 0.237322043 0.905542086 0.900381362 0.548745815 0.65149319 0.553480231 0.655384851 0.900381362 282.4071135 212.5352136 364.2220788 585.9344155 294.3460015 208.479385 353.0920451 629.6448464 445.1145306 457.497103 277.8940329 430.0968924 438.3546401 381.6925679 176.2817595 336.4926201 292.2010506 243.4837481 562.83492 455.0682111 403.5291038 827.9700927 518.851666 265.6424259 377.2302658 359.0463072 327.6219034 387.9341081 297.0352253 184.1246553 494.8064263 614.6730495 244.377972 299.0663868 327.4359148 405.2191898 415.0647204 306.0914245 691.0708295 631.9495043 278.3080605 418.1228468 361.7366991 278.9554604 427.9264589 486.0423424 276.424065 521.4205087 507.3958212 357.065892 395.1797591 297.6922407 391.582896 697.9595859 205.9369385 367.0792047 261.3406576 398.3851722 520.1118102 550.1322411 574.9309589 577.0821406 349.8558163 626.4521663 390.8467177 545.9228267 667.654713 330.0905787 324.2211365 368.1496668 355.2155731 289.3000443 519.1840287 715.2705369 294.943939 241.1023801 244.387621 759.6974514 638.6116302 313.3864883 553.4552267 412.8314393 542.2736664 251.0985205 632.8670985 410.4101778 569.6806153 529.9735554 371.2806469 256.5437166 556.8463438 485.5847088 150.1884073 316.0016949 806.4449803 191.1697628 310.5715007 329.4798088 299.0700395 235.0165996 565.6302539 351.4984323 295.7550288 440.2131731 218.3592842 428.4287928 357.4898425 429.5587574 395.6087362 260.6892747 616.3401001 670.7606254 528.1299711 586.082504 267.8040992 482.8374043 481.6211551 252.3707018 275.3213767 262.505954 445.9016534 839.4414858 324.7900472 No_result_found_in_bank_inhouse +M482T910_2 M482.3156T15.17_2 482.3156098 482.3127402 482.3182587 15.16618986 14.89548263 15.18218899 0 119 0 116 [224][M+2]- 7 Inf 76.87188681 0 1 1 0.162645498 0.056058132 1 6723.220793 1093.501594 0.162645498 6511.007321 364.994906 0.056058132 0.344664515 0.989819738 4.00E-20 5811.412353 7305.777511 1494.365159 0.154086233 0.151324815 0.812332331 0.155031366 0.810685871 0.931912603 0.25438009 0.563548455 0.259600809 0.571032088 0.931912603 5489.802855 6546.58687 304.2608258 7804.799704 7311.165817 6194.623079 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6260.178064 6449.900112 4618.932737 7998.778306 8225.811769 5896.375878 6282.516117 8806.413415 5143.534364 6393.414696 5333.688616 7294.778151 7405.014197 6456.349508 7098.697082 8016.662186 6247.766241 7584.638971 6651.782706 7434.824264 7043.833121 7209.326359 7633.835781 7601.138901 6550.215831 6387.347593 6453.947892 6219.630939 5810.73119 6095.474828 7639.482491 8512.986685 6991.067497 No_result_found_in_bank_inhouse +M483T910 M483.3182T15.17 483.3181533 483.3160733 483.321668 15.16701999 15.15045751 15.18218899 0 214 0 214 [224][M+3]- 7 161.3729456 62.03708034 0 1 1 0.201478844 0.148473523 1 940.8004962 189.5513964 0.201478844 938.0556523 139.2764275 0.148473523 0.736918676 0.980361118 5.27E-17 670.049586 1327.692138 657.6425515 0.091061537 0.093024247 0.944945777 0.091232201 0.943247809 0.877941452 0.650737349 0.293683965 0.648342483 0.285285457 0.877941452 899.5597027 947.7646474 804.305599 985.2361941 1302.328875 746.9994362 1153.532177 833.7038088 990.4159891 775.64339 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796.5971732 1226.098011 1040.209276 783.2129166 1362.611207 527.6219088 953.1171074 814.5789018 1229.275126 884.2006792 755.2673526 711.8059454 1137.481215 793.6847021 1187.707583 1059.749784 1160.635637 769.4802869 1336.522986 1052.120551 1357.690505 870.8261511 883.6139411 900.1551895 856.8307331 705.4345286 829.4303032 1057.674278 1131.553952 850.9153236 No_result_found_in_bank_inhouse +M483T1090 M483.3694T18.16 483.3694056 483.3656839 483.3719829 18.16378448 18.13884586 18.47675261 0 70 0 69 516 9.987530169 15.87782193 4.48E-09 1 1 0.563205542 0.262493967 1 236.1901071 133.0235774 0.563205542 218.716916 57.41187096 0.262493967 0.466071349 0.865788742 4.65E-08 101.901932 358.5220908 256.6201589 0.633583193 0.63874534 0.932203586 0.637042687 0.931646358 0.896173123 0.779898447 0.949139883 0.778449673 0.949936104 0.896173123 263.8249304 352.1617887 252.046495 281.5682476 455.8692264 205.7416231 195.5771098 82.27492175 492.9561772 246.2095174 129.1218046 158.4902519 344.2781426 161.6267759 630.0331889 190.8431612 98.79609501 148.8977416 558.9280849 184.6999766 204.1522386 308.055594 265.086946 243.4136899 335.0822806 161.6890743 182.8526384 86.898588 232.1497454 335.3513828 222.4617012 330.3052626 361.3971694 171.8990553 133.0308604 459.2256576 264.7167758 188.422115 160.2253363 93.13458431 502.4151311 193.1172257 213.4955011 269.1227748 171.105959 374.0768718 208.3580978 118.5398687 295.3474089 271.9698125 213.5196031 345.2013106 189.0637866 95.2601538 768.051319 675.7999661 260.3270703 237.8462257 252.4814621 232.054889 126.7796997 115.2864166 129.7801488 59.63563688 125.7831862 189.6726486 132.9480074 254.9605828 282.2808233 207.4580829 78.89571315 421.5945218 569.7228877 234.7854019 110.5988448 132.3503359 348.0628036 192.8830265 260.3090462 193.5828725 439.2377142 392.092573 206.0820155 363.7415214 247.0236374 101.5612213 241.408987 441.5173391 332.1178569 438.5231047 136.5714761 440.1565134 223.63124 534.4365225 219.3531774 474.4353748 224.8396675 107.3791259 122.8864973 234.6669766 364.8279547 221.4468026 242.2061343 72.36029016 205.1243749 136.7712917 257.0451698 136.7136361 239.5019104 124.062567 78.2657817 188.8423223 236.875598 100.7122026 195.8445383 182.2581496 295.0971629 114.9328824 418.5621288 220.1979919 73.03061728 384.6887067 173.4805849 No_result_found_in_bank_inhouse +M485T47 M485.0354T0.79 485.0354233 485.0339834 485.0366818 0.788876515 0.787083333 0.8062 0 317 0 317 [231][M]- 16 Inf 83.1559709 0 1 0 0.184476311 0.139769925 1 3982.055046 734.594825 0.184476311 3737.983515 522.4576741 0.139769925 0.757657847 0.895857174 3.30E-09 2584.713081 5287.791509 2703.078428 0.625294838 0.623882635 0.81438186 0.619582214 0.810685871 0.87636963 0.448077924 0.949139883 0.440657879 0.949936104 0.87636963 4028.05298 3948.729327 3779.208673 3631.527886 3319.277463 3684.366623 3660.430764 4782.873172 3931.431413 3709.441519 4911.64653 3302.940545 4098.64458 3622.95195 3870.888715 4320.634474 4874.931632 3264.500736 4799.020525 4485.323521 3759.036814 3420.009723 4536.329455 3734.991919 3173.871831 3316.106635 4722.330473 4306.609887 4598.362091 4019.842973 3702.460826 3399.040066 2864.726728 3923.111488 3979.724739 3824.760945 3882.420658 4096.72259 3046.581495 3945.99115 3582.590151 3726.739433 4560.542001 3558.565271 4621.135796 2564.896222 5310.878174 3067.496718 4038.101882 2916.10012 3806.935021 4000.935064 3747.638096 5470.945744 4488.808637 2684.761117 5224.930969 4483.042665 2953.138287 4127.474437 3504.749539 5650.241652 4413.85101 3022.329943 4380.216178 3562.409252 2875.922839 3563.477687 3326.965425 5134.295203 4192.317465 3169.36221 5056.756807 3912.348969 4752.578692 3997.54374 2996.060793 3671.659226 5437.310911 5051.951831 4026.569939 4159.187279 4046.79065 3969.871222 4667.083337 3534.540391 3518.203472 4242.793862 4327.361441 5230.90348 5876.417118 4018.881978 3761.290914 3280.837655 6623.179003 4034.118757 3311.184339 3493.217597 5048.10785 3927.587433 3426.274213 2820.820243 5639.956453 5031.107122 2778.356046 4073.658705 4859.808885 3608.537022 3580.668161 4456.849085 3895.874591 3734.113253 4456.134799 3050.198804 3228.943913 4985.280141 3311.589502 3130.922402 3352.298833 4970.592639 3944.885346 4224.534953 3817.072983 No_result_found_in_bank_inhouse +M486T47 M486.0385T0.79 486.0385322 486.0358165 486.0420724 0.7888775 0.771699834 0.8062 0 261 0 261 [231][M+1]- 16 Inf 68.6861957 0 0 1 0.240522053 0.18090518 1 585.4212481 140.8067202 0.240522053 539.8843175 97.66786969 0.18090518 0.752135524 0.896733534 3.02E-09 318.8029641 733.1078537 414.3048896 0.226827324 0.217061923 0.745030178 0.211480655 0.708600713 0.858832892 0.090914322 0.878439607 0.085271213 0.87895311 0.858832892 595.0955842 610.750116 603.9482458 577.390261 497.1952539 475.0928383 742.5326671 669.4156229 548.1006848 741.8704845 543.3397946 782.9953121 408.2846374 610.9334968 498.7763455 732.3708719 788.8705099 563.1445409 872.4789804 563.6194541 410.17332 524.2742915 623.6208271 406.2388037 509.5198555 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518.3725171 822.7148658 463.2892895 606.5000417 518.257391 512.6052285 538.0450984 541.7235867 665.2507149 393.4516259 705.2620394 562.6169358 820.2452095 674.0462759 No_result_found_in_bank_inhouse +M489T1129 M489.3565T18.82 489.3564638 489.3533368 489.36043 18.8206667 18.68505283 18.87745202 0 170 0 167 1074 18.75344596 27.00857605 0 1 1 0.448739178 0.162643623 1 539.968223 242.3048966 0.448739178 512.4346284 83.34422448 0.162643623 0.362445783 0.949905239 1.36E-12 355.0340026 718.4582922 363.4242896 0.786431532 0.787082975 0.907981747 0.791662897 0.905542086 0.979529007 0.864754546 0.825522489 0.864537561 0.826905887 0.979529007 641.4229484 483.2090635 363.0055743 609.5742396 1103.162908 426.6667599 1076.975225 190.9467735 489.2592278 257.8430939 463.076041 478.1598213 780.8155489 336.0655861 1318.922732 289.8243511 337.3559287 240.5410296 692.9337294 341.9514302 456.8796498 646.8285165 464.9319419 445.0483519 356.6215042 170.305595 282.8822748 505.2443078 488.0594043 729.9209009 485.7106767 687.1202483 510.6744831 433.8694456 715.4948326 658.3632033 460.7244187 174.0130136 344.829623 347.4931789 546.3067071 284.0970968 583.8628804 351.1867401 669.3147581 1332.544188 502.537016 107.250735 609.1810536 498.9665765 363.2615559 438.6647076 700.9369375 362.8763337 756.6987406 870.3970288 857.3589088 597.5593492 515.0179953 636.8846778 278.4307204 531.7133531 600.7042002 255.2493251 343.5172398 297.2574733 490.2638751 613.2454157 679.6451419 367.2001288 269.4679902 816.3471768 941.5088544 419.6623429 272.9427619 378.5689507 595.0477329 411.4957165 589.6011521 369.5892623 594.4712276 586.8997647 645.6424073 504.1930131 542.3116533 569.1028349 570.4836925 860.7290378 360.0594697 623.0620239 286.5702003 734.2085131 525.8923631 573.089985 499.0059653 494.945075 364.3720147 230.1826813 300.6057622 349.9170676 442.9852927 461.9914441 563.059942 447.5198194 619.3076535 356.3802065 573.2922543 460.8751633 587.8586099 331.3239106 141.3481665 425.0492813 763.4538153 279.4932102 697.8279788 412.1477117 866.9900805 299.4832435 704.7936652 509.9380181 93.71550807 885.3448365 332.6988652 No_result_found_in_bank_inhouse +M491T1176 M491.3742T19.61 491.3742261 491.3717045 491.3777996 19.60819583 19.58821625 19.8515741 0 242 0 241 [235][M]- 355 11.48040813 23.69918711 0 1 1 0.636196564 0.165516074 1 696.5992882 443.1740736 0.636196564 668.3198919 110.6176844 0.165516074 0.260164991 0.967783336 1.15E-14 492.3340707 973.8690923 481.5350216 0.777170825 0.779899273 0.907981747 0.784356747 0.905542086 0.973919844 0.764042473 0.989714906 0.767698266 0.98888698 0.973919844 347.7581237 837.8787194 371.9832805 705.289921 1546.331574 358.3056004 871.5050195 182.6679157 1292.699964 455.9985775 605.9347891 248.1430752 756.4447503 322.7542315 1980.39898 646.5237432 141.1502075 203.5334199 1705.712844 627.999029 795.885029 1242.413977 845.7694975 366.7209061 395.7301873 307.0087586 202.7804996 313.4433197 384.1695776 749.2691761 582.0045305 873.8673671 990.3687678 635.9028802 614.0588779 2000.620004 305.1298947 753.4296901 367.6236602 200.4736381 1177.42507 345.9522208 655.9130837 357.2474772 306.2025482 1665.475039 387.7132136 96.24448048 1114.214557 725.0561239 527.6654036 443.3163678 375.3223238 553.397886 1676.119904 1463.201816 664.8251406 717.9795132 664.3592145 716.7095376 445.2711088 508.8784228 520.2344977 286.988968 628.046665 445.8835714 407.213306 560.1345793 1337.017401 364.6160494 221.837693 1738.323078 1526.025205 547.6532146 236.338168 322.3537462 649.9703349 623.7829136 1117.694614 956.0516738 1112.408318 798.854031 407.6915737 801.7462862 499.589825 333.2773676 702.5004201 836.3028075 616.061895 787.2306247 242.7049591 845.6888414 895.6041394 1302.852509 687.9067657 877.6704279 664.2628963 221.2759175 516.8277647 341.6602688 540.9358486 1413.986196 349.713329 307.8884526 466.9201963 561.6832094 705.9414037 294.2972249 645.0842165 340.9748615 216.886495 512.726985 393.238908 407.6315056 1484.240459 548.4647696 779.6319525 615.5686997 989.6193057 509.0203371 85.27493191 1059.83909 551.8085801 No_result_found_in_bank_inhouse +M491T1133 M491.3741T18.89 491.3740957 491.3688816 491.3777452 18.89151128 18.55510588 19.17320142 0 119 0 114 [M+Cl]- 456.405 29 9.400263095 21.82055328 0 1 1 0.529683982 0.214126873 1 500.1527424 264.922896 0.529683982 460.889544 98.68883673 0.214126873 0.404254008 0.952369236 7.91E-13 259.2127344 759.5239543 500.3112199 0.443631735 0.440967132 0.858784823 0.44635688 0.860184011 0.926511606 0.513515662 0.902843964 0.519777289 0.905553463 0.926511606 524.5789241 717.4937952 303.1622575 490.8551494 1563.39342 517.8287602 704.4886835 324.9320584 823.6373095 325.1359585 383.7685143 201.99945 534.5227741 271.8911441 1201.243255 461.0784973 231.5865883 95.03453441 941.3879799 461.8361517 184.6024156 391.8388834 822.9715333 521.0569752 443.7585252 151.4444998 203.6585057 151.4401065 204.8331569 964.642645 366.9587833 803.2644857 973.0582206 376.5460939 414.8842615 1549.686022 271.0289641 289.9510939 394.6878915 278.5961821 442.1006181 437.7390291 423.108697 248.9050753 485.566172 903.6500203 603.7731612 93.89262375 666.3799616 667.5161633 379.7979528 511.7089418 635.0868602 369.6863641 852.8076377 837.0232505 453.6936621 706.4715093 322.1120004 362.2716355 222.1403447 377.05675 448.1657106 456.7172099 488.8310758 245.9604712 316.5297123 503.813905 677.2477082 499.0282662 231.1779944 840.2078693 747.1527073 283.3567582 263.1011771 268.3990994 600.5722118 346.0495546 504.7532409 377.2088604 1108.394631 509.4799284 407.2626364 534.2381029 280.0468669 225.2363097 330.6642356 695.9497507 543.7437897 881.6912196 258.3010424 614.9564783 712.6282455 1316.137136 514.0085465 518.2710438 452.5323826 154.1204263 193.8532745 414.5174583 485.4585604 566.6149088 391.3941612 264.8461764 460.0675621 296.0280932 622.8870632 241.3860373 396.4338348 218.6792819 188.6397696 385.3619474 841.7491894 247.7610656 367.13727 541.7465815 1048.055995 179.5028779 728.7472849 335.5780689 115.851642 744.9514018 292.3949569 No_result_found_in_bank_inhouse +M492T1177 M492.3776T19.61 492.3776412 492.3735783 492.3801133 19.60855674 19.57921573 19.62603145 0 71 0 71 [235][M+1]- 355 15.48179911 18.08329998 2.56E-10 1 1 0.640959748 0.228818645 1 265.6359495 170.2619511 0.640959748 249.4206681 57.07209923 0.228818645 0.356993782 0.898214919 2.60E-09 160.9498088 443.9131747 282.9633659 0.975939116 0.975977533 0.795261023 0.975955476 0.799360927 0.924056199 0.614309001 0.613010568 0.618512841 0.617404813 0.924056199 202.765113 304.6012071 149.3481029 212.4685277 695.0061877 146.5262675 325.6458993 136.2388953 588.4879583 134.4679855 464.1613788 50.74681407 337.460212 124.3643805 968.2219336 270.1608505 53.72333389 85.1799236 299.7222012 220.5850036 160.298193 566.7251504 288.3910155 241.4652834 115.5717008 156.6529712 226.7739251 86.46355328 151.8975209 254.3329873 240.8933673 305.0899112 351.1567976 170.74202 170.2304486 752.7823672 242.8626445 224.2167362 115.2345484 110.1286428 376.1110192 154.8144147 275.2973327 175.5742373 127.687666 516.9573377 115.7100136 89.38685012 373.1452795 195.5905622 161.7867553 136.1863207 128.9675862 106.7104024 799.5526284 355.1584439 345.6634425 251.3554204 213.0422918 143.3958563 129.6557431 120.4613973 313.7447622 109.9540399 244.7699796 122.9971503 87.34675219 114.2550249 531.7418509 261.0676182 66.85894647 546.8401131 496.4697097 165.633287 107.4167832 171.782585 172.5080247 124.9506937 376.1994608 514.5392749 355.3174404 232.847772 268.5649455 414.8943896 202.583358 138.9602861 295.0993813 384.8432645 214.4101227 266.6706441 126.2406294 374.9179507 343.8166792 426.8269746 351.1668208 333.2868941 223.4592329 73.2798179 276.2375092 137.7595913 175.0876377 555.3674705 132.3818085 103.7900309 117.4913436 184.2450068 332.2580969 91.38374655 234.1164612 105.3981729 83.29739425 228.634019 148.7997514 200.4180154 463.9154635 162.4140036 324.2976202 225.4503969 474.8987913 210.4239354 51.22857985 356.6167976 223.5398173 No_result_found_in_bank_inhouse +M493T1175 M493.3899T19.59 493.3898586 493.3868937 493.3913487 19.59020185 19.43706529 19.61453033 0 85 0 69 [235][M+2]- 355 7.357754632 26.97377371 0 1 1 0.526783168 0.189481797 1 480.8087297 253.2819458 0.526783168 453.0069945 85.83657931 0.189481797 0.359695997 0.957405632 2.37E-13 280.6587893 771.0411668 490.3823775 0.997345783 0.997340401 0.853058507 0.997357946 0.852698807 0.935378395 0.775003295 0.778601981 0.776963517 0.781111551 0.935378395 584.2903415 440.022525 364.9812046 744.9894857 1377.889092 206.5156267 885.1730012 230.7531762 711.3893848 363.1201903 384.2031076 455.353368 543.8712738 259.4132888 1327.569305 589.2740904 248.0880947 210.6903445 679.7970973 453.622637 332.6954818 719.5197377 391.6737203 295.8012289 291.1623443 244.5504142 312.837629 152.7305639 172.6665834 787.9756443 478.7149801 483.9209149 595.9595198 400.2384277 239.1274207 1003.810575 365.9325534 400.1860508 513.6913821 298.7700096 767.5778876 304.0804404 268.5394342 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M493.3899T19.24 493.3899152 493.3852728 493.3925892 19.23873952 19.22171445 19.34409356 0 104 0 103 1209 7.471305055 18.36118908 0 1 1 0.481612164 0.193745336 1 578.2581953 278.496181 0.481612164 540.5334576 104.7258364 0.193745336 0.402284972 0.968900483 7.85E-15 345.1585746 843.10293 497.9443555 0.527638918 0.526731249 0.828852751 0.530428359 0.82588821 0.970545484 0.448077924 0.999878042 0.448648926 0.999878616 0.970545484 521.1026532 892.8769905 380.4235059 681.4455249 1315.225728 335.9711102 489.2326633 205.8486571 1248.573471 358.3109694 505.2877999 354.2348672 740.0964632 297.2979176 1165.120647 514.8101145 261.5645875 193.1532633 923.4620123 493.1722727 522.8686697 786.7502905 877.2487207 572.8063717 340.4460523 241.8875621 520.4766824 337.0683209 234.3798765 881.5095137 436.7288152 663.2161748 675.4812116 724.2015527 823.6142018 1036.116113 533.4199704 347.4689682 352.8468704 531.5137842 567.9151145 505.2258017 641.1381012 362.291361 545.5180992 970.0509899 817.4800239 134.7295874 749.3273496 529.5293723 318.9784923 511.274316 545.3909912 425.368515 650.5400214 1214.390823 595.1395512 1408.700178 430.0548383 634.8024561 255.514876 641.4481093 680.6763362 239.1829435 646.4381011 222.2217802 466.2802257 784.2414956 685.9248589 397.5303126 227.4490857 1530.625339 809.4483942 465.4610119 367.9629857 349.1188906 535.8887857 510.2445746 735.7428129 618.5380005 654.3387582 540.3094474 511.6670833 553.4006137 499.0254828 279.6616365 389.2093058 725.8120047 559.1554282 629.243816 320.2820089 564.6108878 534.0100062 797.2108969 1227.078882 725.4959974 320.5718046 313.003932 290.6797269 351.0476846 507.5944275 332.227207 477.7869612 366.7477935 352.7665837 204.3824943 1117.995151 366.6434855 440.6261351 225.5423232 211.835965 455.6774872 556.814287 388.6481396 571.1918622 410.4312802 900.6938138 295.6704358 676.4381041 539.8518377 233.8205324 879.27204 363.482834 No_result_found_in_bank_inhouse +M493T1238 M493.3899T20.64 493.3898826 493.3868071 493.3934307 20.63922654 20.61234756 20.66627128 0 80 0 80 770 4.019627231 13.99408773 1.22E-09 1 1 0.631909003 0.247758555 1 235.6748395 148.9250529 0.631909003 235.1846572 58.26901088 0.247758555 0.392079483 0.896227126 3.18E-09 123.9721023 369.4538186 245.4817163 0.881028527 0.879790463 0.819596024 0.882024684 0.818499383 0.953173798 0.764042473 0.549936396 0.767698266 0.554407338 0.953173798 317.0635382 457.5797543 203.3765906 173.9865848 494.95357 210.0199294 199.0363978 52.36023506 652.7664679 94.09571712 221.5846583 98.56409731 171.6423044 104.2269974 444.0533572 213.7606968 107.8705622 110.3834124 376.0767558 223.325636 216.5483004 630.2977517 160.2465782 208.1541455 211.3613153 127.5640513 145.6363815 146.0195587 140.2640492 221.9832435 319.3390765 185.1321283 202.817905 300.3026022 112.43991 735.6280756 229.3375883 329.2328474 135.4948498 212.9085339 340.4135403 126.752275 218.7125424 199.2617461 84.67999761 760.3531492 168.747106 57.92837357 283.5332268 255.0202883 144.2587786 227.2690435 69.93472067 85.79177536 421.2621578 475.5657728 233.7670453 254.9518955 236.8322807 124.8940773 56.94545208 203.2156303 235.3630068 180.9768299 209.4886236 73.42916519 135.8461894 161.2915769 334.5949155 123.4257142 154.0426934 548.071776 399.7292675 164.5461037 148.0603457 159.9817112 348.4499391 158.6818639 271.1562973 245.9578645 546.6853804 279.2811858 263.2131241 136.5206076 189.3166257 193.469056 320.2319502 596.3425487 399.3406371 244.3734479 131.7647435 360.214794 388.8280893 727.7869243 304.106226 502.8376519 288.6386268 119.0363439 150.1719384 131.6026449 185.3135473 440.857207 187.7708148 94.09547922 83.74774233 166.7102986 289.4902317 80.70312275 215.1508354 257.8740414 61.16046363 156.4879295 193.1047224 169.4464409 398.9076632 177.4221373 258.6690847 199.1279561 390.5572302 165.6219474 40.67347991 295.6128034 160.6004452 No_result_found_in_bank_inhouse +M495T1224 M495.4055T20.4 495.405529 495.4024157 495.4084899 20.40262881 19.97157345 20.43547724 0 377 0 311 [237][M]- 388 17.95632218 29.69988227 0 0 1 0.613892031 0.158943876 1 932.8760373 572.6851655 0.613892031 859.3467643 136.5879053 0.158943876 0.258911775 0.964214617 3.60E-14 560.6392609 1215.51977 654.8805089 0.501463329 0.497466197 0.81438186 0.498395912 0.814503953 0.897437208 0.391396089 0.999878042 0.391724153 0.999878616 0.897437208 989.3628635 744.9959284 930.0010917 889.3851425 2168.608678 797.7388984 1680.016956 339.8335841 1947.048956 852.9363613 555.1135357 473.8965154 969.8503174 510.1252131 2155.202179 1366.540437 382.2064957 457.400817 2462.992813 763.3715568 314.5132471 1397.605224 1204.939824 866.4735815 624.8607559 275.9801672 515.6644024 331.1762006 449.6155048 815.3425292 1058.097547 954.5407586 1202.491008 574.8718954 586.3276759 2319.430338 693.1072307 717.8368128 1071.636196 635.2751018 978.0864567 595.4315503 1093.506323 638.1024767 211.4112224 2774.21377 668.6010088 434.5794595 1389.090245 930.0010917 606.1149332 842.5205859 659.2280975 307.0975581 1560.243047 2819.163444 1347.000568 607.3808025 1468.980159 457.4374677 273.2598428 936.2496992 1039.214217 757.563916 892.7534565 396.8145952 646.7308823 684.2225277 1224.173249 644.6480132 401.993753 2413.9594 1190.119695 794.6145946 506.1372123 404.0766221 783.158814 842.5205859 1200.796138 852.4090145 1416.992398 1458.534515 658.1866629 1061.762701 529.0487733 356.9806617 585.8213378 2272.602008 1130.401244 1666.295349 445.7340059 995.9393448 1324.704802 1809.69515 924.7877456 945.6226106 1001.860079 374.4041691 571.1204135 451.4206298 1193.484044 1031.020247 789.4074216 395.7451454 1237.224297 516.5114383 912.2967036 537.0767722 1879.476347 496.7643009 415.0018025 491.557128 1245.349746 713.4748671 1748.923333 837.3134129 1335.442635 701.7771007 1372.610794 697.7611774 226.190144 2624.756935 352.068039 No_result_found_in_bank_inhouse +M496T1224 M496.4089T20.4 496.4088567 496.4052614 496.4135102 20.40335514 20.10570414 20.44191302 0 197 0 192 [237][M+1]- 388 12.50559359 24.13810464 0 1 1 0.553221003 0.221454623 1 332.9550133 184.1977064 0.553221003 321.1762048 71.12595547 0.221454623 0.400300462 0.954043379 5.38E-13 163.7299269 484.9786018 321.2486749 0.830550204 0.831096638 0.864302739 0.832691108 0.867627357 0.897437208 0.69721233 0.972147899 0.698784991 0.972068942 0.897437208 497.2159739 331.2325183 364.5508951 264.8980548 508.5198477 352.5318127 582.8548648 179.8895171 547.2330915 382.9591456 185.6759949 219.3026501 290.3188857 195.5267723 714.5314785 539.4137523 160.3527542 149.6398461 737.3706815 344.4881162 182.329895 667.455317 306.4788494 315.8176136 224.7422239 79.69421209 343.8051016 199.6178253 225.7036147 332.1873667 436.134188 354.0971435 552.8697072 214.476323 247.4852091 651.9333522 221.9481369 300.942011 297.9280874 212.8300482 593.068374 312.313672 228.1715231 274.6946169 149.7962811 801.1625294 267.7782285 126.0394091 499.8627052 272.7521145 231.7866732 330.322625 217.6793625 136.3314809 603.4155918 720.8774352 449.6975395 268.0506009 475.8238306 209.0274679 145.6643215 264.8669146 408.3288739 232.7617571 248.9678096 130.633609 183.0886321 207.4414143 433.4327055 272.6874896 100.2108036 839.1336932 577.314994 212.9303652 200.097278 193.7588973 270.3154041 312.3509368 622.6959097 295.8425372 446.9987738 440.0679885 221.6875822 346.127562 152.8712683 152.3274488 259.2509471 748.8947858 439.2842227 445.3362992 185.6482388 470.7750667 456.2040788 663.6494307 305.9855062 441.5624162 337.3145068 121.2771325 152.5016281 123.8590594 206.8301199 327.9687007 365.5203122 142.896928 349.9052899 227.0704238 409.8962893 235.1792213 435.4748863 191.6385185 186.6949756 193.4852874 541.1354142 282.5503318 439.3274444 208.5611023 590.3870187 328.653051 411.5463413 374.076622 88.98429131 813.5303294 132.7534684 No_result_found_in_bank_inhouse +M497T52 M496.8078T0.87 496.8077537 496.8062539 496.8104313 0.872379638 0.852276805 0.891465529 0 91 0 91 [M-2H+K]- 459.847 33 Inf 41.52196924 0 0 1 0.309228952 0.25195913 1 1184.849436 366.3897497 0.309228952 1096.761352 276.3390365 0.25195913 0.814797995 0.92183109 1.59E-10 495.1731738 1713.126815 1217.953641 0.630048285 0.630640002 0.87036886 0.633367647 0.872898576 0.970545484 0.640005896 0.999878042 0.643109369 0.999878616 0.970545484 1119.282558 1454.101304 1537.107382 881.3968916 895.1633419 971.3664705 1519.630741 958.1289552 1142.539359 1741.147397 1059.146247 665.5246509 1465.87863 468.9463276 1752.511865 961.458224 1172.654342 1189.478654 1059.811141 1252.712018 1342.681597 780.7529559 914.9448702 1212.301953 961.4545678 849.3738212 775.3898928 1454.762344 970.065273 1392.595658 1107.083293 1672.358633 1583.631886 961.4545678 1100.98366 1652.906057 167.2178806 787.3846693 817.3507507 891.3087944 1179.985727 817.8523931 1296.171899 814.9439046 975.9411949 1762.736437 1135.294093 1337.056942 606.6103895 752.5421558 1533.295112 1222.213856 854.7109996 1837.993251 495.6273522 907.3203296 1458.458817 961.3195221 2051.237872 1504.007191 769.8906932 892.8337025 1795.714824 1739.07038 678.6148164 0 1020.16353 1173.416796 1509.27167 1285.497543 1161.217531 1023.50219 1622.344166 1343.444051 1420.451911 1100.221206 822.6879291 760.9291504 1321.549398 835.0845223 1768.525919 939.696278 1301.509078 1315.660799 1228.313488 1665.017487 1456.685403 1514.591305 1369.02811 1537.869836 1668.24948 471.3877241 1248.899748 1651.954887 1614.089794 962.2170218 1354.880862 1059.842398 1066.160831 1111.299843 1312.183435 686.9711067 1556.168733 956.1173894 922.5694108 1339.512626 1261.861467 1134.560767 1088.563647 1266.436191 501.6050564 717.4692691 1963.513359 1670.908884 1343.111936 1257.286742 1520.547537 1170.832487 525.3308463 1241.275207 379.5226067 831.6313508 1508.894782 No_result_found_in_bank_inhouse +M499T47 M498.9156T0.79 498.9156416 498.9141633 498.9183974 0.787750325 0.769987258 0.794910119 0 143 0 143 [M+Cl+NaCOOH]- 395.959 [M-H+NaCOOH]- 431.936 102 Inf 45.53890196 0 1 0 0.289359419 0.260339765 1 1660.773311 480.5604003 0.289359419 1500.324575 390.5941474 0.260339765 0.899710699 0.926396088 8.40E-11 617.5491364 2290.774512 1673.225376 0.186738714 0.185421477 0.828852751 0.176406639 0.82588821 0.828457199 0.250977142 0.840052954 0.236584289 0.84094756 0.828457199 1370.056892 927.4461965 1539.687666 1135.650573 921.6058552 1829.584523 991.6899507 1909.791601 2218.161621 1999.732857 876.0511932 1145.874961 1559.371124 752.2359579 1807.001594 1204.278374 1217.743349 2221.665826 2390.726921 1744.860111 2215.141122 1131.120236 1585.148064 2374.844605 1413.594519 2278.960382 1211.286783 2669.509211 1073.454729 2017.253881 1967.705551 2327.960037 1634.127492 2048.893956 2373.764867 2333.800379 1561.70726 822.3200533 1392.946214 1943.027224 1705.379656 1671.505677 1431.107711 1444.900435 1293.534342 1147.043029 1692.167701 2028.934563 1104.992572 1853.275699 1633.146257 1677.316876 1489.046869 1435.555889 1490.455097 1755.852791 994.0260872 2247.363328 1172.740531 2117.707751 2116.539683 1326.319321 1586.236694 1990.388311 1201.942237 1513.816462 1237.137629 2217.610559 1917.968079 2883.956605 1303.315431 1705.379656 1971.699219 2200.179923 1886.713765 1909.822727 1417.448465 903.5419143 1224.135534 699.6728863 2099.018659 1780.136025 1753.478806 977.6731316 2689.286403 2534.708119 1561.70726 1533.673622 1434.38782 1218.944565 1448.728614 967.1605173 1140.939414 2017.253881 1630.623288 2300.846936 2224.587799 1884.094099 1126.0178 915.7655139 1176.002813 1645.653108 1537.230816 1825.793945 2646.834111 3028.800992 1340.476086 1676.17795 1888.766372 1456.70854 1137.698483 1551.812175 1846.715915 1951.842058 1303.564175 2060.317444 2075.657294 2463.455955 1685.673949 1484.707335 946.1352886 1623.614878 1735.749431 No_result_found_in_bank_inhouse +M499T969 M498.93T16.14 498.930006 498.9257838 498.9333786 16.14412687 15.89849939 16.19467207 0 109 0 108 1198 7.549552889 13.42879824 1.36E-12 0 0 0.587959716 0.2662897 1 247.866341 145.7354235 0.587959716 238.3663173 63.47449515 0.2662897 0.452904668 0.792477725 3.91E-06 111.9414066 406.128176 294.1867694 0.975939116 0.975977533 0.907981747 0.975955476 0.905542086 0.926511606 0.876629164 0.825522489 0.876467087 0.826905887 0.926511606 260.8655246 356.2983938 106.6896826 147.3921049 90.91752119 239.2809067 221.1507272 238.3513393 95.83198179 152.3482787 270.2953333 169.5488909 402.9857696 125.3187454 334.1833211 265.3808727 76.47121761 0 161.5762824 218.3129922 240.5143134 146.7754015 223.8633225 150.4756217 174.5270531 650.0053496 371.0417757 397.1569689 250.6374908 430.0153029 322.5358614 277.6670242 144.9765878 322.5358614 201.0452979 493.9032908 211.321806 248.1802605 176.9938666 1129.80057 253.0947211 216.2362666 279.983329 176.9205818 351.5209196 341.555012 294.7842098 105.660903 751.9124725 329.3195984 294.1675064 172.676943 287.3837694 258.0091817 292.410406 402.0905958 189.2067333 378.4134666 169.5488909 208.8645757 203.9501151 299.7178367 346.4694726 142.5193575 422.643612 471.7882181 286.1503627 165.2765026 174.4633515 122.1072668 117.1736399 459.5020665 879.6884482 162.1929857 286.1503627 188.7112305 280.6000323 185.6277137 132.6904363 253.0947211 606.9358847 302.2393272 265.1824481 213.7790363 171.4435362 115.4898242 181.8350424 100.7464424 120.4042848 203.5121114 271.9661852 213.7790363 592.0352331 262.9236424 147.4338181 487.1956606 162.1929857 149.8910484 302.2393272 127.7759757 305.2681671 153.5591386 387.289715 264.5657448 193.6448575 407.9002302 188.7112305 120.4042848 243.2657999 317.6022344 208.8645757 239.2809067 248.1802605 88.46029089 226.0651878 234.9639831 383.3279272 395.6140787 249.1481606 265.1824481 226.0651878 172.0061212 176.9205818 No_result_found_in_bank_inhouse +M501T879 M501.2818T14.65 501.2817731 501.2797575 501.2835585 14.65330065 14.63655924 14.66442077 0 104 0 104 [243][M]- 20 995.0570305 34.07332569 0 1 0 0.526586948 0.23711187 1 6447.745539 3395.298642 0.526586948 6053.734748 1435.412366 0.23711187 0.450280568 0.940274383 9.00E-12 3526.00567 8498.691611 4972.685941 0.269501196 0.276032126 0.946954697 0.270737797 0.94468685 0.860152552 0.820125453 0.503713383 0.817482418 0.500804441 0.860152552 5757.136686 4174.202715 5067.755023 5604.713546 6450.950998 6400.266076 8549.381912 10317.77792 8421.308664 4985.990073 2236.355951 4015.588923 7278.501218 5901.221209 3341.726601 12011.30033 3085.652668 7859.756729 11272.37911 5008.911811 6304.987257 7947.218571 3123.358523 3275.784984 4221.637406 7195.018725 4080.610726 9506.323722 3685.554014 3790.968149 4710.213171 8850.846635 1155.614771 7334.192048 16323.9083 3821.508693 4089.477335 4206.713617 7643.15593 4554.203751 4412.615993 6957.332918 4106.560568 3266.85301 6440.504727 7950.393182 5316.881636 3784.071897 7192.790659 5236.355498 5302.032846 5543.091616 4394.262163 3872.737992 4341.683117 5661.459822 6049.983213 3598.858277 7184.909229 15844.63117 5383.017143 4281.801861 5955.406045 5040.174909 5573.156658 4199.817365 5899.049159 3837.553808 3957.463372 9426.364372 6846.926762 5586.949162 10172.95663 7606.701057 8708.964254 3898.141861 5711.903724 6190.791692 4666.792132 5416.513223 8386.827405 5241.151391 4974.760089 5038.204552 11708.55925 3904.263715 7926.74889 3761.412784 5071.700632 2490.185152 8029.849191 4812.598599 4351.200868 5272.677114 4784.028413 5115.927927 5970.649384 5042.145267 2991.988116 10547.32459 3593.618526 7489.257726 3951.970243 6372.842455 6321.855808 9112.904205 12533.99458 7931.674784 9102.067237 9430.881199 2716.138042 6647.842081 4193.906292 7811.482966 11937.41192 2680.18733 8058.762853 1957.550341 3764.203858 4369.796553 5674.630078 8104.08108 8532.633872 No_result_found_in_bank_inhouse +M503T881 M503.3134T14.68 503.3133922 503.3098701 503.3162653 14.68470708 14.67113118 14.70495787 0 83 0 83 [M-H-C2H4]- 532.363 20 Inf 39.10344672 0 1 0 0.445099175 0.208888917 1 490.2814274 218.2238587 0.445099175 482.6342234 100.8169405 0.208888917 0.469308705 0.930444708 4.59E-11 289.2169259 725.8874918 436.6705659 0.800950374 0.804513848 0.907981747 0.807619313 0.905542086 0.931912603 0.793609926 0.989714906 0.792893059 0.98888698 0.931912603 469.1130764 333.1546885 370.23991 617.4720356 364.2361755 402.6799675 866.3964494 499.2463845 578.8926949 366.1787684 473.9926763 296.2454227 547.8112079 459.4232293 355.4945073 714.8742004 658.2441869 567.2371373 777.1495916 720.2926474 325.4793409 463.4404759 752.9303282 584.7370427 445.3670059 584.6415281 261.2787499 395.0570601 310.8148697 300.1306086 365.5950967 521.5862033 206.8861477 556.1309311 932.5692319 225.3407806 229.2259664 418.6287777 538.8120742 201.6627009 229.2259664 548.7825044 432.2712884 291.3889404 354.0229432 407.9445165 537.8502512 239.9102276 438.054707 291.2918409 376.6368625 471.8709169 377.5723323 367.1500649 335.0972814 304.3449146 359.3796931 548.7825044 382.6908084 894.5640469 213.6852229 296.6069415 300.1306086 372.0065472 687.6778993 407.9445165 448.7843852 306.0494657 368.1213613 650.6839111 283.9756821 323.4417238 796.4631037 406.4401892 512.3418777 433.9805219 459.8812529 400.1726124 666.309377 420.5713706 496.3324951 563.3519514 524.8895006 435.1408176 412.5278208 363.264879 751.7834662 255.4509711 372.0065472 420.530347 692.1238001 556.5528761 401.9330808 393.3750695 358.4083967 359.6500155 457.4623603 593.4621419 511.8732386 756.6399485 180.8097223 807.4940954 279.8311503 407.0178035 548.5261942 558.495469 639.5095917 498.275088 624.5436289 343.7649985 425.4278529 574.51185 364.2361755 912.0473834 536.1556503 366.6259673 473.9926763 568.2084337 305.0108259 367.9439506 445.8250788 356.4658037 545.868615 No_result_found_in_bank_inhouse +M504T880 M504.3096T14.67 504.3095995 504.3058378 504.3114207 14.66676298 14.45132499 14.67776889 0 104 0 103 [M-H-CO]- 533.302 20 7558.514159 42.4556655 0 1 1 0.399679293 0.210307578 1 53818.62623 21510.19049 0.399679293 50315.1934 10581.66645 0.210307578 0.526190827 0.987501361 3.78E-19 493.2764177 61199.39892 60706.1225 0.001750492 0.001484536 0.745030178 0.00143968 0.72890136 0.895228214 0.009834763 0.204049355 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57075.82273 51357.36364 63418.76939 62578.90015 79938.3908 70236.34159 70940.15566 64219.24533 20942.60576 46705.28476 46278.7295 30667.79219 60168.38631 54973.97141 75367.16517 34045.32751 43088.56618 39452.10514 51160.00383 31967.15293 102252.3125 30273.19074 40552.3747 41638.7992 88910.72606 61022.9988 73959.33385 57736.48796 40833.8049 51626.45157 66281.94895 60766.86163 56596.24899 47144.28554 26890.87561 48739.52926 32669.20499 17917.67809 30562.08716 59667.2837 77971.02036 66828.65443 No_result_found_in_bank_inhouse +M506T880 M506.3157T14.67 506.3157092 506.3132461 506.317319 14.66788721 14.65135857 14.68199159 0 170 0 170 [244][M]- 20 Inf 44.508591 0 1 1 0.378704557 0.129631863 1 2738.315797 1037.012671 0.378704557 2631.572206 341.1356085 0.129631863 0.342303416 0.977199312 2.68E-16 1933.972631 3480.474043 1546.501412 9.14E-05 8.51E-05 0.812332331 8.46E-05 0.810685871 0.895228214 0.006384934 0.064127356 0.006188023 0.060041042 0.895228214 2247.611711 3420.554443 3596.404823 5361.571579 1620.133502 2377.456617 3641.185831 3682.704746 2682.099788 1817.670842 1993.659097 1445.681661 2172.398279 1960.334155 1939.546836 3093.210841 2991.470414 3546.929658 4205.931716 4443.674072 3625.873714 3314.347087 3719.814178 2304.664568 1426.207983 2483.046554 2102.756815 2895.831142 1877.406019 1508.481311 1900.099681 3568.869801 1922.252721 2584.288887 2786.934604 1272.666738 1901.800833 2071.618475 3415.326016 2139.742148 2086.011295 2318.774136 3401.465767 1806.795609 2557.901785 5025.117292 2660.956041 1239.253384 2833.596146 1041.92281 1522.835982 2502.240834 934.8996722 3252.012398 1386.079212 2491.301294 1566.189323 1821.167706 2628.702821 2507.4755 2507.489406 2056.960386 5234.510421 1675.867049 3736.742146 3198.539438 4401.917712 2236.449868 3313.370787 3717.83761 2427.254052 2540.480091 3542.979893 3731.46338 2158.845163 3257.407624 3383.0864 3365.866616 4380.701305 1497.377593 3985.585762 2887.993383 2552.375895 2613.995679 2850.349074 4101.541882 3314.582765 3145.473674 2974.146202 1379.507389 2953.99427 2641.547495 1717.876444 3105.394839 2750.978609 3078.154063 2257.038496 2159.977573 2287.211151 2544.484703 1518.394416 4894.305044 1403.796984 1849.511914 2726.2072 4812.353087 3084.755874 3225.961266 2510.235978 2250.507398 2781.976887 3778.083253 2957.184337 2777.026394 2067.812541 1091.674729 2393.003068 1663.959872 970.0815582 1638.159445 2671.788087 3892.834436 3188.897073 No_result_found_in_bank_inhouse +M506T933 M506.3253T15.55 506.3252948 506.320922 506.327222 15.54553261 15.30712549 15.71172562 0 209 0 190 [M-H-CH2]- 521.348 30 Inf 36.78553749 0 1 1 0.479773223 0.075813996 1 19980.75733 9586.232337 0.479773223 18071.1161 1370.043522 0.075813996 0.158020482 0.977274617 2.59E-16 15118.95618 21121.49647 6002.540288 0.031228838 0.029946494 0.755557592 0.031373616 0.747075902 0.94309074 0.042082286 0.699823706 0.04476555 0.701953625 0.94309074 13275.01548 20056.14661 22110.70552 18551.86671 29425.19101 12360.95501 18812.82956 33158.3024 11956.91804 9965.173724 11988.00895 13121.72857 9446.676311 6601.89829 9288.060017 28153.70237 6843.350516 19262.94597 28440.10977 36406.20053 31209.21961 37493.11891 27317.17332 9508.166316 26366.17027 12848.65981 19621.07968 25833.43038 15477.98632 4324.194818 13005.88859 32201.10839 7989.062312 16764.43778 15299.11432 14105.55881 10339.38152 19197.66597 23502.64254 34576.9191 18457.15069 13308.66483 15944.65475 9128.136395 15896.01786 31271.80046 25477.63108 10537.69498 36210.26423 13057.26861 19364.78713 18133.46473 9276.214809 31505.60749 8321.879409 13076.66647 9710.54707 9863.37225 18098.17848 28477.00336 20694.87838 20764.0405 22287.75188 15182.1418 41166.5465 22689.65726 29391.63724 16219.13412 17451.95592 22077.23749 12570.13116 13865.80972 16758.85089 17078.9484 13711.71007 13383.6594 33699.40927 22686.83062 30493.349 13108.57856 16463.7659 24918.60999 27656.83314 16788.01627 22461.4783 12934.70203 37174.6073 17931.53651 18074.24417 8821.006995 20521.57742 35460.07693 8415.247638 14239.2371 21649.20917 26162.18156 28157.4648 18920.0091 11493.78358 17455.73281 7506.532445 34568.61155 17373.26215 6200.564507 13323.30647 42038.46825 12419.86244 26948.02342 22800.13419 15177.13927 26590.44778 33515.49229 16998.25679 28167.88263 25049.83617 11015.62651 8975.218426 26084.97118 6542.561919 11371.68892 23943.1426 40962.15539 30482.06643 No_result_found_in_bank_inhouse +M507T880 M507.3183T14.67 507.3182959 507.3146291 507.321057 14.66813607 14.6492868 14.68283047 0 122 0 122 [244][M+1]- 20 60.91238938 35.06961267 0 1 1 0.399443312 0.166386095 1 421.1716771 168.2342097 0.399443312 412.9175224 68.7037343 0.166386095 0.416544952 0.926279196 8.54E-11 245.5969081 624.1483263 378.5514182 0.008467751 0.006700885 0.715391897 0.00601062 0.695696123 0.835729189 0.005336933 0.590855389 0.004947546 0.582994349 0.835729189 348.5008712 490.6963323 473.6326322 767.147447 221.2138208 462.1297814 438.2438979 569.8669239 448.3775557 295.2752713 178.8427951 220.0653519 310.4267448 286.2516393 389.3361921 451.5364789 454.6643959 525.757704 607.4439596 804.6648507 510.2303918 512.1598597 451.5192805 464.6097045 322.3078932 378.2007861 368.8398825 365.6149936 455.3335255 195.8318834 207.4663154 380.1005538 270.4397576 398.8093585 465.6713934 188.7259393 385.5502635 257.9236861 569.5868083 307.1805972 168.9954969 481.3336812 332.9695317 195.2359383 447.8400905 803.2503691 523.3554629 150.3859666 431.7084239 276.1871625 284.0430718 653.579663 154.8806204 713.0767639 281.649697 316.4257123 304.7921561 164.2510983 373.9961623 306.1019627 283.7126704 328.8416688 748.2204133 212.684496 519.9916606 511.4798582 792.8132851 353.1709982 450.1285124 584.7491886 213.5954559 426.6738147 345.375099 607.2608798 253.0384008 305.2003752 347.2836355 411.7115765 659.1002641 323.4883998 685.185316 363.6584956 324.3682314 601.8083165 540.0528692 547.5516329 553.3591732 536.3021663 411.7747434 285.0323719 395.5858999 492.6510491 304.8802342 327.6923921 316.5962786 736.1274976 282.3608461 262.0676746 286.0925326 401.4885215 185.8440657 787.8359463 223.7126969 271.2735112 273.7391922 413.8550443 368.3472382 453.8292172 316.7451783 367.0251392 409.5299063 621.4089555 364.5032878 597.93074 299.4627028 185.6343788 289.2078084 362.3361585 207.3180544 241.4006395 494.8996698 567.8303444 544.6302304 No_result_found_in_bank_inhouse +M508T933 M508.3316T15.55 508.3316172 508.3288256 508.3347093 15.54801635 15.53674826 15.56231978 0 97 0 97 30 133.440214 35.33204117 0 1 1 0.470806046 0.146795099 1 1129.055528 531.5661692 0.470806046 967.5729803 142.0349711 0.146795099 0.311795271 0.956974451 2.64E-13 732.3449561 1487.715307 755.3703504 0.013106231 0.012120176 0.74917679 0.012403818 0.735276384 0.896173123 0.022822639 0.560203897 0.023254347 0.559144944 0.896173123 680.2792643 1066.990381 1101.805796 662.7202756 1508.601878 877.5289591 918.6211415 2068.097776 782.9629155 750.0485837 502.6232286 730.9695655 621.2411255 252.0472556 599.4902494 1298.25138 572.5858943 973.497955 1402.324559 1554.29327 2239.415496 2154.084677 1567.666812 600.212899 1458.860367 743.3387492 1373.612902 1190.149063 1187.61015 431.4489675 857.6849126 1850.738821 233.5597792 1026.984983 948.1827479 925.517626 593.7634411 1016.685044 1442.199162 1449.537535 1289.651532 760.4076419 727.9703081 568.9430901 800.8066776 1445.154921 1328.941235 409.0572295 1915.164016 775.6926077 1216.604169 1350.341464 460.2723227 1285.692441 559.215696 736.2169271 745.1370673 623.6089143 1020.523296 1816.051908 1260.730478 1461.613763 1665.465254 920.3424734 2083.360278 1347.552082 1888.606699 869.7939842 1530.949229 1114.260767 814.0950771 654.3580855 887.4378606 714.7121343 734.3979978 894.484058 1863.204563 1152.28075 1888.497631 541.9940675 892.1089876 1146.502914 1414.652612 975.1115546 1921.080327 808.2131882 2618.140633 879.28591 813.2121801 402.074632 1025.953887 1934.268163 449.4723627 992.2594698 1081.135475 1479.524387 1425.231057 1046.05111 577.864165 1070.036843 458.254411 1736.339208 876.3351418 387.2379637 816.289765 2423.983097 673.5160019 1991.064687 1684.893305 793.2748718 1464.862451 1692.750754 803.9479243 1333.406994 1424.159854 663.766091 498.4849018 1278.373908 459.6780101 561.7402239 1214.356124 2460.193694 1576.430656 No_result_found_in_bank_inhouse +M508T999 M508.3408T16.65 508.3408169 508.3380674 508.3424391 16.64709835 16.34945804 16.82847478 0 213 0 211 [245][M]- [M-H-CH2]- 523.364 39 692.1952612 46.07891624 0 1 1 0.363351743 0.050550448 1 15203.10822 5524.075867 0.363351743 14372.82155 726.5525661 0.050550448 0.139122624 0.979824974 7.08E-17 12720.09653 15980.77187 3260.675345 0.014282195 0.014747451 0.87036886 0.014358518 0.870403889 0.895228214 0.771359073 0.050187272 0.767698266 0.04893584 0.895228214 10613.84456 16385.23852 16109.22403 22906.42875 8612.287113 8641.390067 11145.01867 16643.23757 17181.34767 11616.60795 13722.56153 11751.84053 15288.05127 9139.148525 7391.454059 14857.66119 9406.308841 15584.50651 19281.30061 21566.03139 9371.388558 24711.36077 12065.65613 11465.92804 12833.14144 14875.42711 18383.50571 15592.30223 10441.27215 8304.842992 21448.67671 20765.46053 8830.39469 10916.52633 12360.88707 21086.82166 14696.62255 14822.39703 20168.00531 14793.8536 19988.32714 17867.7174 17613.9564 16805.96106 22010.73881 17844.80943 13183.61661 16806.04685 20000.77591 8761.023364 13746.69267 16170.36513 10452.26442 19356.41254 12805.81461 12340.94382 5233.283511 18235.70296 25753.0327 22322.85686 11289.52801 20531.92282 15300.92565 21155.66033 20539.2458 15084.56339 23999.28609 9452.692921 17309.95232 14278.38425 6443.353123 11524.23583 16506.1462 19932.45979 7937.041861 12843.80666 13479.79095 30582.4866 23800.04812 11776.05344 24196.15844 11940.13169 14630.40756 16142.97927 22685.92575 17301.22845 17878.16071 17815.16429 13410.98957 8609.632698 21686.66186 13053.86483 5479.444964 12381.406 16928.4155 10797.34144 10621.01025 15539.66368 7079.676179 11398.71294 12644.9118 10457.15146 11056.53801 13573.10077 12412.99112 18659.88972 14194.30675 20301.01624 23089.65869 17015.40023 14011.91415 22632.05117 19087.00544 17284.05698 14980.75497 12718.23294 14124.79678 8373.759547 9648.222739 7831.999619 11229.71823 20541.81549 11205.67257 No_result_found_in_bank_inhouse +M509T999 M509.3442T16.65 509.3441918 509.3423265 509.3461065 16.64734456 16.6356198 16.6644109 0 74 0 74 [245][M+1]- 39 290.1001511 46.23451269 0 1 0 0.350397109 0.087545675 1 4171.017288 1461.5124 0.350397109 3972.066126 347.7372091 0.087545675 0.249847023 0.975368689 6.23E-16 3197.411341 4915.449971 1718.03863 0.023084858 0.024086219 0.907981747 0.023548753 0.905542086 0.895228214 0.666869066 0.081368761 0.661663497 0.077074533 0.895228214 3149.536797 4358.051811 4546.970238 6684.590209 2715.873876 3010.71082 2332.543956 4947.002878 5170.301861 3072.221836 3483.464129 3138.281119 3630.469293 2316.726945 2258.110962 4222.211597 2668.092139 4545.995122 5633.559152 5868.586027 2647.758002 7443.422924 3419.32186 2731.837936 3922.283206 5066.593286 4704.165234 4020.792684 2777.281097 2530.721803 6072.921266 5900.675616 2286.953747 2982.507885 3309.541532 4612.054404 3581.157434 4622.288941 4521.381035 4305.71876 5147.971962 5027.948759 4393.648571 3973.791479 6065.466479 4665.087912 3779.315233 4043.572411 4860.474522 2630.590187 4625.864937 3946.371894 2999.545866 5060.513194 3514.167739 2949.714955 1600.309376 5379.644657 7013.44888 5369.41012 3083.386785 6056.522333 4394.337896 5095.868866 5627.134363 3687.224451 7534.00755 3104.186237 4498.544088 4027.072329 2002.549726 3200.618751 4840.005449 5571.144835 2098.321517 2966.267953 3427.035868 9445.060534 5973.247786 2962.43317 5839.268396 3106.647096 4221.393381 4484.587901 6135.889666 4313.392015 4623.219353 4745.103381 3496.489903 2366.56899 5961.536659 3507.654852 1908.944178 3311.33783 4123.587879 3289.260287 3102.443879 4570.185845 2779.141921 2781.933159 3460.571798 3143.720988 3281.022071 3710.855158 3245.498777 5757.392102 4124.045454 5084.703917 5667.142097 3912.304239 3587.670321 6129.312701 5379.644657 4875.361121 3317.850717 3748.490159 3256.443497 1955.726923 3379.539879 2613.144278 2888.930588 6288.657599 2850.783678 No_result_found_in_bank_inhouse +M510T999 M510.3472T16.65 510.3471643 510.3444866 510.3497866 16.64968279 16.63666905 16.6635918 0 128 0 128 [245][M+2]- 39 120.9846297 41.45383474 0 1 1 0.378625464 0.174558447 1 832.8738388 315.3472433 0.378625464 764.9768767 133.5331752 0.174558447 0.461031978 0.961820442 7.26E-14 528.7124123 1076.151251 547.4388383 0.01205481 0.012349451 0.917465563 0.012439627 0.916454701 0.896173123 0.499120463 0.073196877 0.501632992 0.072909482 0.896173123 776.218532 923.3696141 928.530389 1367.383392 455.5956559 538.0511111 612.8197878 1128.184589 1138.872968 411.8820742 669.6826847 637.9562244 862.6747686 541.3313134 345.1445377 514.8175861 551.8488878 798.2625359 1147.396288 1122.750242 741.716405 1256.055084 606.0145347 441.5374724 673.6033225 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562.1826173 1039.274953 489.8913391 1469.951852 250.3590895 1044.472594 806.6023836 217.9635666 2489.245564 435.4994247 No_result_found_in_bank_inhouse +M511T1106 M511.4003T18.43 511.4003301 511.3980116 511.4045665 18.42933892 18.21796487 18.61837011 0 212 0 210 [247][M]- 430 27.28322552 20.84342255 0 0 0 0.839660393 0.194871889 1 1055.238564 886.0420278 0.839660393 968.5659014 188.7462665 0.194871889 0.232084174 0.901915339 1.76E-09 599.2844251 1532.31668 933.0322554 0.767136029 0.768555237 0.924153787 0.771041897 0.924071385 0.897437208 0.826793348 0.993331005 0.829506773 0.993591413 0.897437208 1683.496744 1236.204971 1602.41689 785.5155702 3944.691686 966.8554576 1324.588393 187.2333023 2578.237461 302.3643391 666.3644858 315.1566765 1073.393404 772.1920045 2220.052013 1647.885648 175.2371028 211.6550374 3886.602011 1356.56185 775.0536536 1524.824342 2169.104038 843.9279378 1493.438592 260.6760882 634.9651121 334.7813307 357.0225081 1725.802612 1006.959471 1108.281597 1167.591525 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1617.649214 298.8755198 1545.748175 600.6883772 186.0703625 2994.569897 1397.853599 No_result_found_in_bank_inhouse +M512T829 M512.2997T13.82 512.2996784 512.2973083 512.3029381 13.82173043 13.76788189 13.8506991 0 117 0 117 1036 Inf 26.27351757 0 0 0 0.641663479 0.2338754 1 948.5331147 608.6390581 0.641663479 883.999048 206.7456309 0.2338754 0.364482954 0.944850377 3.83E-12 487.631095 1471.98148 984.350385 0.864208718 0.860632681 0.715391897 0.861845609 0.695696123 0.970545484 0.139997991 0.989714906 0.147464278 0.98888698 0.970545484 899.7744533 463.8737092 2202.937722 438.4135927 894.2547318 803.1543778 360.883698 914.3503438 409.4480935 984.6849856 676.552269 1043.297187 525.8351794 662.3178772 708.3703213 551.7920115 336.9625134 215.1905113 655.8087626 856.2954193 240.3424379 804.3621287 1536.259201 1827.327178 956.5387477 704.1188004 1256.813064 1285.047004 830.6186273 897.6040005 710.1575551 2253.22049 561.0025003 1068.859585 541.0724229 459.6871234 729.3032504 444.6154144 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265 0 265 16 225.7199607 52.07609084 0 0 0 0.305410176 0.218559853 1 1743.780033 532.5681672 0.305410176 1689.502369 369.2573895 0.218559853 0.715627277 0.745874609 2.87E-05 1140.535423 2494.42758 1353.892157 0.472809518 0.478805493 0.924153787 0.474481204 0.924071385 0.895228214 0.861977106 0.611067583 0.86071785 0.60997047 0.895228214 1783.108318 1187.837946 1483.477041 1635.451406 1471.386359 1301.280501 1032.378971 1997.976269 861.5930542 3021.596988 1142.951904 4452.476431 1290.747409 1297.316098 1366.287334 1555.684536 1352.226453 1689.247881 2582.700716 2202.764803 2274.434532 1195.934635 1211.477467 2263.209153 1399.718442 2372.008983 1588.527982 1736.47982 1441.827258 1880.834647 1862.549463 1944.331975 2060.378816 2156.136305 2533.481746 2169.856967 1897.25637 1488.902864 1224.429828 1225.293319 2280.429901 2388.813271 1770.155957 1287.463064 1574.143566 1596.191452 1893.635129 1367.382115 2167.667404 1970.485802 1773.60992 1442.892978 1714.892552 1331.254325 1417.742065 2124.187149 2034.104059 2156.719589 1265.567434 2237.733422 2042.862311 1265.013891 2084.464009 1401.320342 1099.160643 1058.653727 1166.57595 1480.886569 2262.913396 1874.638333 1538.740447 3411.339208 2014.397992 1898.816073 1985.165144 1719.210005 1199.388597 1152.760099 1535.978469 1042.232005 1699.100915 1387.088183 2124.187149 1126.530181 2384.097853 2360.348952 1278.704812 1106.824114 1638.887932 2489.443719 1791.743225 955.7442647 1171.756895 2362.538515 1554.589755 2062.879308 2523.119857 2470.921885 1485.618519 893.3417182 1223.566337 1625.953009 1311.64239 1908.314471 1887.590694 1751.650428 2106.053844 1103.53977 3042.397837 1423.896182 1731.944361 1328.048713 1645.456621 2561.788751 1399.130779 1874.638333 2464.353196 2607.769574 1661.356128 2109.507807 1116.677148 1543.64194 2230.069951 No_result_found_in_bank_inhouse +M515T910 M515.3226T15.17 515.3225935 515.3206314 515.3248322 15.1737674 15.15901821 15.18801113 0 287 0 287 [250][M]- 7 Inf 44.34192648 0 1 1 0.399865323 0.126040442 1 1887.084454 754.5796353 0.399865323 1754.601313 221.1507256 0.126040442 0.315207234 0.984878943 3.04E-18 1405.989507 2411.568781 1005.579275 0.975939116 0.975977533 0.755557592 0.975955476 0.747075902 0.915966112 0.384850043 0.917774791 0.386955566 0.919056159 0.915966112 1889.203863 1615.091974 1046.750892 2146.246214 2624.775412 1175.538885 2784.419955 1731.98607 1774.592096 1683.417762 1368.072179 1969.730551 1834.094201 2337.670483 1347.002533 2292.957176 1891.292791 1674.38054 2190.265198 1571.910724 1187.577567 2309.964637 2192.544108 1718.394232 1394.208984 1974.951676 1591.376345 1631.097398 1651.134043 1982.61506 1265.349699 2904.341276 1054.744074 1657.657462 2834.370802 1365.68153 747.5373148 1385.244154 1353.433041 1047.208792 1927.299626 1738.362854 1227.695821 1410.357486 1431.741926 1361.39188 1757.374615 1564.890859 1419.550761 2154.987915 2404.989884 1277.409248 1773.374327 1447.179397 1438.172789 1286.793926 1286.344582 1587.645829 2157.452466 4109.594164 1344.335981 1699.667702 1002.628652 2092.187733 2483.165732 1536.614587 953.4221605 921.0940983 1266.822617 2470.511541 1624.787467 1457.387218 2918.766193 1756.898025 1937.548128 1660.109995 1708.042206 1770.251608 2695.491843 2058.947022 1899.695431 2460.652394 1992.605503 1656.684731 1956.48495 1480.482293 2568.847314 1144.757845 909.680209 1708.962468 2035.213328 1481.322714 1191.331191 1562.968931 1175.46222 1287.436424 1311.633256 2076.472277 3199.250441 3571.52963 931.5710762 1681.489134 1177.804422 1623.136467 1748.794052 2191.967376 2736.024843 1924.3809 2438.724378 1602.71101 1576.765216 2484.744593 2130.932876 2636.715941 4730.265785 2059.15202 2072.752024 1508.833447 1642.199109 1714.285115 1989.339492 1785.484452 2362.374443 No_result_found_in_bank_inhouse +M516T910 M516.3259T15.17 516.3258896 516.3227023 516.3288194 15.17353362 15.15208001 15.19727186 0 199 0 199 [250][M+1]- 7 Inf 47.81258771 0 1 1 0.375593822 0.146151877 1 610.2152891 229.1930929 0.375593822 560.6463044 81.93950973 0.146151877 0.389122154 0.972387332 2.16E-15 403.6378771 789.1880094 385.5501323 0.987900144 0.987645351 0.787240672 0.987919003 0.793198186 0.996694631 0.433660029 0.96357216 0.440657879 0.963872974 0.996694631 593.1457671 457.1819395 347.6157501 591.2813213 710.4100717 513.7614363 933.7281972 651.0874493 456.0478603 697.9663391 598.2199357 597.0374959 548.7843113 732.9401797 241.4792615 793.3434791 416.2139424 524.7670512 782.1066675 522.790205 416.9123528 788.1242059 819.0354059 503.6630579 555.5490366 570.5958748 684.8377101 662.24024 489.2861321 591.6826965 403.9472057 679.6243059 412.5962237 552.3409091 1021.061841 494.1385162 340.2983408 539.1626588 496.9509531 343.6821636 301.6008788 729.8198173 394.3570109 443.5575983 377.982623 469.7734897 509.9644697 510.981366 479.7925969 572.3532809 531.1914054 569.1961862 617.7988932 398.017402 478.7397367 414.8430066 539.4690645 558.1131228 599.5932591 1243.301906 556.7042778 457.4710031 384.0562707 943.801826 604.7651585 582.6271759 358.2800212 304.3832909 437.4133681 987.007551 623.6717273 624.7480508 709.4139381 543.9608615 925.6529049 661.5617508 517.9489368 628.4480262 736.7447039 929.9796552 571.5899236 740.1718637 596.8158423 475.1704937 655.2531114 434.6261974 665.9159341 452.4005444 361.8678464 607.5687451 564.5196118 485.420371 461.3408869 452.7419043 548.8524406 323.5345611 597.0190925 869.569455 1086.411539 922.6017686 431.0170156 630.5536313 352.1117864 663.8827797 579.4846272 470.1502579 768.2367279 617.0885019 690.0683074 436.6504519 420.9721365 751.8210875 667.8726373 891.1804313 1685.147877 725.7626587 820.6697344 565.002202 731.2714405 528.7662815 686.2080326 625.2031752 697.140263 No_result_found_in_bank_inhouse +M521T48 M520.9101T0.81 520.9101099 520.9092002 520.9109649 0.805816667 0.787083333 0.823266667 0 279 0 279 [254][M]- 16 9558.437004 345.5785109 0 1 0 0.040702825 0.033038322 1 154550.1714 6290.628571 0.040702825 154223.8903 5095.298561 0.033038322 0.811696047 0.771930009 9.96E-06 144825.6686 164539.8136 19714.14496 0.227587871 0.225410087 0.828852751 0.228435906 0.82588821 0.897437208 0.682015887 0.255579476 0.679887139 0.251806317 0.897437208 163000.6855 155677.9468 163189.6412 153647.5091 145638.5083 148605.8929 151505.7901 154446.3946 165030.9789 150839.2797 151367.5141 148551.2586 168446.099 155552.603 166610.7082 151004.4151 150911.3352 160332.5774 147262.811 153772.4808 147025.427 161055.0188 149676.3069 157664.7279 152812.2986 148022.4487 159339.7752 151403.6901 147871.8158 150298.1129 150178.5427 162906.1037 162125.1922 141732.0755 150057.759 151308.8214 157072.6448 157584.9626 164013.1655 156407.5922 151636.1079 151306.8318 150009.8269 159453.1815 156405.2858 165944.1977 152983.403 163435.3329 153857.4779 155936.4943 161432.7424 153795.2966 147941.8149 154384.7175 152387.1756 149470.8808 150919.8578 151695.7954 145705.1594 151723.6495 153569.983 155190.6455 144243.8103 164456.9841 153880.3581 149919.0973 159813.7537 152253.0793 162827.5152 149814.3529 147433.225 156265.8687 152234.9725 158360.9782 153527.5571 152316.8695 157691.0648 160771.0567 153625.6914 157228.8271 149253.5816 152623.9361 158514.0106 160320.6399 140866.4869 149787.7848 162361.9526 159562.6086 157516.3219 154352.9874 153238.6071 154245.4466 155031.8094 155532.7072 153604.8008 152930.4339 154210.7845 148480.6284 152189.2121 160709.6035 152217.4881 155453.064 161246.0625 157380.8116 147570.5598 154952.7436 144378.9172 162555.937 162334.0984 156743.1191 150146.9046 160752.1407 150269.264 160127.6503 160889.6608 156307.0461 145487.3 164533.583 159563.9625 167011.2435 152824.884 157476.5303 159156.7336 No_result_found_in_bank_inhouse +M523T48 M522.9147T0.81 522.9146733 522.9133704 522.9159491 0.805791667 0.787083333 0.823266667 0 320 0 320 [254][M+2]- 16 Inf 232.5016538 0 1 0 0.076038469 0.053367583 1 5635.09397 428.4839204 0.076038469 5635.398265 300.7475833 0.053367583 0.701849776 0.703544184 0.000125318 5137.454498 6342.79895 1205.344451 0.617675633 0.609375856 0.787240672 0.602225028 0.792975851 0.765470316 0.453678077 0.610518283 0.448648926 0.609071017 0.765470316 5305.497658 6286.154534 5668.324415 6477.169518 5363.370293 4989.965184 5607.842991 5539.711256 5277.203687 5715.050281 5914.435801 5493.62214 5905.418365 5538.709318 6952.442829 5312.271492 5499.015862 5440.519464 4627.555674 4962.22031 6018.527585 6430.828631 6278.877799 4757.301919 6243.790831 5738.231203 5955.515229 5661.895428 5709.038657 5449.5369 5309.505174 6536.638855 5627.881737 5298.816385 6181.170007 6036.67215 6044.687648 5754.125835 5764.754567 6199.865185 5553.738378 5698.017347 5691.433684 5813.240135 5925.472961 6604.770591 5757.538501 5378.399353 5408.457471 5863.657092 5536.666859 5865.607468 5769.52795 6325.230088 5256.163004 5456.693458 5782.180079 6455.481935 5502.639576 6188.966617 5817.247884 5748.216545 5913.433863 5575.780998 5036.738738 5637.90111 5927.847607 5577.731969 5287.223059 5008.35927 5040.615377 5877.364121 5831.275006 5321.821976 5257.61087 5096.719971 5621.260776 6296.274939 5843.298253 5765.147145 5026.719365 5522.678322 6802.120632 5320.28699 5191.014051 5141.942153 6146.885251 5370.383854 5331.3083 5885.409916 4871.030133 5409.459408 5684.075718 5445.529151 6041.681836 5235.076754 5613.023251 5207.068077 4867.411337 5507.649262 5590.894067 5552.517917 5501.869978 5710.219818 5263.762615 5229.110697 5384.033871 6090.776763 6169.929809 4613.835603 5263.176565 5646.135612 5527.688008 5766.149082 6013.627592 5503.711961 5851.313752 6066.730268 5746.313709 5643.068698 4966.603128 6067.732205 5422.484593 No_result_found_in_bank_inhouse +M524T877 M524.2784T14.62 524.2783527 524.275109 524.2809815 14.61910193 14.45129326 14.64083979 0 190 0 189 [255][M]- 965 155.7146781 31.02024815 0 0 0 0.551636522 0.164615298 1 1590.517825 877.3877209 0.551636522 1507.564808 248.16823 0.164615298 0.298412617 0.985066527 2.65E-18 1083.547986 2060.388439 976.8404529 0.546137033 0.549625314 0.97449334 0.545916669 0.974581749 0.896173123 0.864754546 0.778601981 0.864537561 0.779756726 0.896173123 1662.530137 1068.644136 1458.285505 3377.973391 427.9937634 808.5124281 655.8401302 2179.283484 1037.371105 1037.371105 730.0018888 1865.659662 724.6407978 819.3534051 607.5903113 1456.429717 659.2974381 748.7657072 1899.580901 3628.781565 1502.732523 1971.54274 622.2582562 1433.945471 894.2316777 1324.94445 1275.046139 735.4923266 1100.810682 713.9186158 1587.393511 1488.596263 469.095461 713.2688175 596.85996 1079.366318 1271.472078 1152.634561 1745.074599 1423.362848 545.0442499 1151.741046 1561.995214 618.3124933 1210.652117 1773.6276 1095.301522 1189.268683 2475.037004 756.6575734 1044.50493 1055.087553 366.1587698 3936.827811 978.3991043 832.8524619 2047.04324 1926.418693 1048.093287 2471.462943 1913.909481 3092.242559 1343.846806 2805.637614 3113.900346 2506.310034 2785.34648 742.900163 1361.71711 1221.234741 628.6078302 583.4654019 613.8449175 2159.913437 1044.50493 1226.526053 1759.890272 1697.452794 1537.739597 829.1820719 718.3861916 770.2100711 1441.353308 1270.578563 1454.052456 1271.472078 726.4278281 1035.584075 1099.023651 527.0146455 1832.910374 715.7056461 1016.990109 1077.579287 3560.657927 2155.680387 1680.520597 1166.037289 896.1957092 1388.522564 1181.020772 2553.587027 1152.447689 1209.593855 695.2783577 2132.820696 471.9850038 1543.100688 1089.194985 849.7846594 939.9779522 1440.295045 984.6537104 1049.880317 669.2428576 816.9785268 1425.156686 831.8626174 1095.301522 829.6776749 2039.895119 5317.308739 1503.786021 No_result_found_in_bank_inhouse +M524T934 M524.3356T15.57 524.3355774 524.3330438 524.3381133 15.57104277 15.55691043 15.5859383 0 94 0 94 [256][M]- 130 Inf 32.97107397 0 0 1 0.488911532 0.156531436 1 1502.332756 734.5078084 0.488911532 1360.440184 212.9516551 0.156531436 0.320163108 0.967963965 1.08E-14 863.9889754 1913.145714 1049.156738 0.003691982 0.003805239 0.907981747 0.003778548 0.905542086 0.877941452 0.111794976 0.129234825 0.111369972 0.125646757 0.877941452 1070.591597 1068.861209 1554.48897 1162.52374 2129.819985 880.8770829 1527.323039 2278.835678 1250.417699 622.9546673 553.9588627 589.9335705 857.0394218 512.5740336 798.5899705 1599.982517 437.9313012 1219.784118 1434.977184 2387.728488 1987.405791 2594.993684 1504.344164 1035.490233 1616.33423 1279.528287 2529.214107 1698.237412 965.757668 237.0506257 1195.953611 2122.140134 473.5920871 1052.205168 814.8530891 1103.14498 784.5019791 1161.533456 1705.759133 2158.733876 1736.284564 983.7419429 1693.222932 1039.525562 1883.773193 2388.606674 1262.813351 838.9472834 2881.06945 620.9598412 1319.644131 1201.803838 1282.871274 2255.070653 700.2465335 835.746758 647.9732297 1249.23663 1123.374915 2016.770315 1618.470014 1378.146404 1625.637021 1008.59329 3895.363561 2011.77966 2264.873714 898.4277649 1055.84079 1462.556827 690.3268221 678.7999032 1078.141458 1677.343743 1210.997052 983.6739342 1979.88407 1908.009849 2322.708532 886.1044154 1132.073587 979.0791749 1780.976341 1150.076708 1999.106245 1082.041964 2818.785919 1582.262795 1282.075929 585.8584774 2115.275045 1211.373374 488.9118534 1249.445413 2158.310959 1938.932479 1480.107508 1451.621189 589.1621168 932.1030063 498.9408145 1810.227478 1666.479035 917.6499403 1194.282117 2745.530549 941.8865963 2459.293849 2942.610293 1076.441824 1449.877929 2458.766962 1446.21211 2572.365736 1870.908075 891.7417908 864.7985654 1057.042203 613.4381204 768.8870174 1202.797591 2350.252455 1632.008335 No_result_found_in_bank_inhouse +M525T877 M525.2817T14.62 525.2816757 525.2785201 525.2846833 14.61838798 14.58850139 14.64425864 0 113 0 113 [255][M+1]- 965 Inf 32.2837374 0 1 0 0.552330454 0.222421983 1 556.425169 307.3305662 0.552330454 489.3097985 108.8332556 0.222421983 0.4026973 0.961203877 8.63E-14 244.9401029 833.4325581 588.4924551 0.230424206 0.232849316 0.907981747 0.237322043 0.905542086 0.91798044 0.569050709 0.610518283 0.575583808 0.60997047 0.91798044 541.8452036 406.0348772 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365.8056152 406.0348772 345.2232021 208.1961866 579.6326054 351.7721517 324.8062129 421.9394692 980.4713164 608.139055 906.8836449 312.4784539 594.0832881 311.5428897 355.5382018 892.2187967 426.3773185 460.0271779 403.5959322 704.4798676 181.3766004 337.7386882 551.0473334 481.3463892 452.8130889 591.8958878 278.7981415 392.936978 223.5998517 475.87757 387.3235926 295.6382977 416.8466931 349.8634149 595.9544166 1725.180446 409.7771342 No_result_found_in_bank_inhouse +M525T934 M525.3393T15.57 525.3393256 525.3349057 525.3420534 15.57128964 15.55493849 15.58469396 0 105 0 105 [256][M+1]- 130 44.44061481 25.24731579 0 0 1 0.525847587 0.25134215 1 475.6433367 250.115901 0.525847587 419.588212 105.4602035 0.25134215 0.477975285 0.960216872 1.13E-13 243.2644539 666.5665507 423.3020968 0.128668802 0.129718264 0.87036886 0.131120504 0.870403889 0.896173123 0.333207751 0.641771252 0.330993197 0.648669738 0.896173123 348.2876956 469.6897999 414.1124037 347.4544715 917.7292137 170.8109512 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679.0776841 412.5107156 253.3001423 413.8747346 670.7850302 489.9358015 530.763785 369.7992328 66.78240566 239.7773759 339.9554541 503.2673879 784.0639272 189.1418826 403.2804897 701.7349459 334.122885 897.136126 781.7223837 312.4590571 491.5501805 709.0737535 555.4608689 522.5613431 827.8689611 261.6323838 394.8139981 296.6808676 269.9646253 325.7906435 512.931161 1178.101675 648.4552651 No_result_found_in_bank_inhouse +M526T868 M526.3151T14.47 526.3151057 526.3113712 526.3174339 14.47451208 14.45938326 14.49137358 0 119 0 119 972 Inf 34.13144021 0 1 0 0.513290986 0.191293526 1 829.5760654 425.8139167 0.513290986 777.1676704 148.6671442 0.191293526 0.372680471 0.962493144 5.99E-14 514.5842404 1122.345878 607.7616373 0.356897093 0.360560463 0.92833449 0.361280026 0.9292692 0.896492805 0.758781127 0.610518283 0.760992341 0.60997047 0.896492805 567.0809619 517.0114441 2038.777801 946.6424439 438.0496963 1107.900969 449.329946 967.2814109 328.0672618 333.7073866 450.2699668 580.932859 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946.9972167 682.4551062 626.9938786 1209.806779 459.2328705 513.299834 939.690555 425.4417071 687.4249371 1097.944303 724.6462857 1237.067383 1076.323825 597.6974644 752.016646 1177.422061 669.2948149 1071.62372 359.0879484 388.9156075 387.2885727 267.9059301 705.1005264 802.0108776 713.4757928 1563.254603 616.6536497 No_result_found_in_bank_inhouse +M526T932 M526.3513T15.53 526.3512957 526.3482499 526.3555598 15.52777672 15.50498415 15.54188285 0 142 0 142 711 134.4784971 35.51753819 0 1 1 0.455422178 0.150563701 1 1465.494302 667.4186071 0.455422178 1280.195598 192.750987 0.150563701 0.330602478 0.963961085 3.88E-14 932.6177443 1826.448022 893.8302778 0.039863216 0.036673709 0.745030178 0.036920077 0.72890136 0.896173123 0.036171362 0.766036807 0.036715152 0.765757639 0.896173123 782.9552358 1194.59785 1693.185594 1138.773476 2000.946562 597.0787567 1078.412298 2700.868449 926.4754069 894.4185379 734.5840851 758.2605315 1319.944576 565.2339283 1080.144186 1178.119964 574.7777724 893.5023469 1351.787217 2762.544702 2455.419853 2078.762854 2330.015441 1201.447816 1702.889251 1481.268196 1377.733238 2525.039879 1223.36232 519.4039157 1695.408707 2682.96339 715.1034792 1409.976192 1208.840527 1292.866183 806.840763 1275.696694 2099.077528 2032.53677 1559.620481 999.3155992 1634.753313 1401.524707 1075.904794 1532.902868 2395.621827 1201.217469 1784.800217 579.4903019 1118.376115 1736.788092 1454.703004 2221.793276 568.9493931 860.1522228 624.6117733 1180.859502 1155.999869 2168.407289 1315.110852 1318.888645 1667.60927 1228.895399 2816.740864 1258.377141 1645.900743 950.845225 1506.647152 1264.963346 382.7639987 1023.264324 1317.826412 1761.142163 873.3268517 1164.60737 1780.340547 2549.634123 2005.404579 1257.775279 1496.917253 1233.547857 1568.333012 1543.815162 1233.948702 1360.826777 2179.692108 1567.32193 824.6901389 600.0103903 1049.627437 1692.321893 955.3266311 979.3224306 1812.511895 1765.435015 1305.751023 1310.99318 468.3583694 1191.867007 1003.391054 1909.021511 1135.536492 697.855107 995.1569785 2569.104468 1033.083531 2223.953662 2371.471552 908.6126677 1394.379312 1352.292636 1568.339662 2197.538352 1688.7547 835.7175669 854.7775721 1265.998826 691.3689221 645.5780036 1427.112528 2889.895441 2079.395277 No_result_found_in_bank_inhouse +M527T932 M527.3549T15.53 527.354903 527.3502088 527.3585154 15.52616142 15.50691115 15.5449255 0 117 0 117 1165 34.88924645 24.40663783 1.78E-15 1 1 0.474742392 0.248195721 1 445.2654856 211.3864015 0.474742392 384.0841892 95.32805241 0.248195721 0.522800841 0.964503736 3.30E-14 217.6669364 612.8159691 395.1490327 0.088321555 0.083789396 0.748298881 0.085422377 0.735276384 0.953173798 0.072970069 0.838977714 0.070626021 0.837982462 0.953173798 260.1806395 468.1284007 778.3004531 369.2448582 550.3260062 257.0117712 304.8149872 695.144791 327.3982349 349.0339762 285.4827024 169.7305445 302.4021519 139.3514075 238.0315137 481.1813588 132.366893 328.4702317 343.7497795 593.1476656 734.4885206 628.1066642 506.8252435 482.5810582 383.3021047 363.8666625 417.9062601 1042.924596 445.6993551 180.9822685 468.9547485 615.386864 184.8765188 285.2176411 358.0528068 456.6801473 244.3672646 472.5925832 754.3678185 783.003092 448.4078602 543.528621 428.8120786 472.8377595 559.4967025 543.1283741 537.8107777 295.8687672 584.530967 216.7522543 422.1276141 381.0746024 260.3238951 849.7934732 155.2117288 255.4064229 230.3354746 288.3103697 334.9695795 973.7664465 358.7719808 474.2481538 568.7944769 179.3256729 723.6051693 338.2671594 483.5264363 326.8468034 233.2125184 783.3034981 134.085018 200.59665 640.9347779 485.4234048 234.4769794 281.8915367 733.2148483 455.4652671 738.6116681 247.7740974 298.6538395 476.3853975 214.2007889 332.7355215 612.1305541 374.4111671 538.7737182 443.4539857 220.9245698 278.6171828 308.360657 434.6544322 369.1472531 303.1951147 529.5238184 332.8077215 410.172417 520.2131744 144.4704422 333.25606 325.9410378 463.9792619 381.0460511 209.1132912 345.8718267 809.2829973 383.4614363 499.9617545 813.8596169 343.2845866 370.0762252 469.1686909 603.5147678 712.3300807 687.7623883 256.9068897 207.6353078 498.211353 288.7375805 346.0423456 558.5076009 815.6580189 838.7110904 No_result_found_in_bank_inhouse +M529T881 M529.3129T14.69 529.3129412 529.310345 529.3146279 14.68994806 14.67177055 14.70422119 0 151 0 151 [258][M]- 71 163.5785925 35.14996579 0 1 1 0.489984737 0.148646373 1 2448.607046 1199.78008 0.489984737 2312.354256 343.7230736 0.148646373 0.303369395 0.978987146 1.10E-16 1619.404711 3210.60514 1591.200429 0.027394222 0.02839889 0.907981747 0.027436936 0.905542086 0.883975713 0.448317409 0.158842223 0.445731387 0.151362868 0.883975713 1500.471498 3149.254318 2112.886652 4234.475577 987.5422719 1718.253976 2028.680424 4558.776322 1827.926463 1050.898845 1565.709031 1415.408678 1483.249353 624.9370483 1961.315297 4911.943485 2461.1037 3988.64729 2821.578751 3373.339854 2562.003946 2960.708127 2189.551617 1787.40449 1944.768736 1695.291761 2033.225251 2630.741372 1353.078972 756.6966906 1685.054406 2317.76197 804.2953072 1343.869634 2682.372502 1645.480687 1594.238071 2865.232349 3485.581584 1357.246214 2880.415274 2347.051418 4330.512838 1317.938899 3300.356469 3616.673917 3600.505225 867.8971264 5251.13536 1371.645218 2199.054116 2452.758422 1019.934016 2287.208753 1152.026943 1639.868095 2471.906096 2348.710006 2006.926026 2260.004469 2331.116193 1211.11384 3323.541121 776.1618133 3903.941999 2779.05426 2860.371495 2006.331305 1860.043226 3624.117955 1669.583816 2596.651651 1393.039694 2043.115288 1211.544274 2622.700152 3482.052417 2798.096143 4586.57514 2281.063017 4180.022423 1708.507194 2869.844532 2841.765451 3873.680497 1327.179564 2892.325074 1723.276937 2505.004807 1116.775431 3474.639864 1723.920861 1097.454555 2499.911495 2752.226551 2694.602235 3082.657793 2179.523376 1717.863155 1260.312466 1545.016517 4442.89689 1713.822638 1775.146143 2450.79701 4608.514746 1869.958074 4375.547214 2538.637825 1945.252023 1309.775967 3337.753516 1971.250743 2588.835208 1554.568595 818.8048032 1418.774332 572.6886261 914.6045433 1985.8219 2505.769172 3482.023514 1723.352905 No_result_found_in_bank_inhouse +M529T938 M529.3381T15.64 529.3381354 529.3361558 529.3396213 15.63754551 15.62516073 15.82253994 0 106 0 105 [259][M]- 103 121.5563119 32.10862613 0 0 0 0.567138111 0.172768013 1 2489.790456 1412.055056 0.567138111 2353.537872 406.6160628 0.172768013 0.304631288 0.988737535 1.21E-19 1547.285299 3227.268214 1679.982915 0.949586024 0.948427111 0.745030178 0.94905084 0.72890136 0.991394684 0.306751248 0.990076385 0.309390892 0.990475666 0.991394684 2224.643486 1390.928084 1134.724476 1528.595782 1449.196693 1607.786838 2673.777296 1978.313254 1519.682913 1576.071889 1702.00727 2178.49412 2488.63349 3065.680682 1229.279685 2361.758293 2393.445474 1524.381994 2431.999014 1661.970192 1296.232551 2904.019389 2614.346841 2356.975909 2406.991313 2774.812929 1182.288871 1623.416651 1879.632545 2439.763044 1050.323482 3308.15328 1037.557165 1795.344602 3705.307839 1053.534042 1070.450735 1355.215065 1744.287211 874.2275806 1254.654724 1404.085511 1473.37044 1824.183385 1776.588826 1391.8679 1619.248701 1268.751968 1604.266378 2554.953549 2179.83802 1165.984103 2370.521747 1510.28475 2046.919842 1485.874291 1545.057952 1710.465616 1913.465931 6370.074696 1233.978766 1794.302615 1282.849212 1837.340813 3343.866298 1139.057323 940.9147858 1178.487954 2010.267007 4216.923741 1622.374664 1254.654724 2470.776981 2238.189324 1673.432055 2449.712803 1904.753298 2426.789077 2011.206824 2190.711732 1500.886588 1635.280315 2777.938891 1622.122887 2104.814914 1271.571417 2156.878346 1132.478609 1441.678162 2274.65889 2288.204728 2505.550183 1727.61541 1076.089632 1522.502362 1099.296898 1698.439757 1686.030393 3343.866298 4824.076928 1429.606961 2255.903113 1573.401248 1751.581124 2161.082243 2650.281889 3767.827094 2913.430445 3142.745616 1859.947832 741.5150392 2280.910815 2194.470997 2255.559054 5560.892886 2299.666592 2289.39244 1720.803595 1832.856155 2130.864604 2074.174514 1684.150761 2915.310078 No_result_found_in_bank_inhouse +M530T910_1 M530.3023T15.17_1 530.3023104 530.2997189 530.3038809 15.16759881 14.90624416 15.17970849 0 180 0 179 [260][M]- [M+Cl]- 495.333 7 447.4556539 81.13916452 0 1 0 0.135919884 0.074334338 1 3474.372713 472.2363373 0.135919884 3353.733966 249.2975942 0.074334338 0.546898185 0.949905411 1.36E-12 2731.168981 3852.371413 1121.202432 0.91856069 0.916493726 0.87036886 0.916148009 0.870403889 0.996694631 0.772141184 0.875157643 0.772707488 0.875416782 0.996694631 3007.244479 3704.902352 3115.49036 3875.237809 3698.353282 3062.676978 3848.981888 4262.508868 3363.41514 3214.657697 3397.096071 3322.249559 2758.093973 2825.455834 3272.663744 3554.273746 3288.104479 3122.97072 3727.277145 3575.799902 3801.579212 4502.281164 3864.534836 2960.60764 3806.836121 3549.799645 4168.950728 3428.775122 3846.175144 2969.53537 4090.05291 4025.806773 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3196.303373 3755.423748 3514.043746 3220.095361 3500.540653 3843.3684 3730.16305 3413.936536 No_result_found_in_bank_inhouse +M530T881 M530.3155T14.69 530.3155255 530.3130509 530.3188809 14.68870563 14.67122594 14.70368921 0 107 0 107 [258][M+1]- 71 Inf 34.73235462 0 0 1 0.501315716 0.270476318 1 483.0497109 242.1604118 0.501315716 471.4167719 127.5070729 0.270476318 0.539532892 0.912059454 5.56E-10 242.3794724 819.2447944 576.8653219 0.019336331 0.017482558 0.74917679 0.015971558 0.735276384 0.828457199 0.078631834 0.206954985 0.070626021 0.199345342 0.828457199 269.9944536 590.1261049 404.0606651 730.8470555 219.5461205 312.8211601 285.5330468 1071.850549 299.0816286 165.836974 188.1982962 205.9511363 327.7165733 151.3552239 585.4005712 908.3189324 536.2648458 810.8374739 618.1941973 964.5319102 501.8172776 445.9563562 368.6820815 293.2698376 322.1313136 391.0264501 378.0951312 612.6081051 332.363055 211.6556762 364.9580201 431.2745634 258.0151829 297.9249143 459.9215865 393.149024 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470.4767548 462.628889 457.2607818 No_result_found_in_bank_inhouse +M530T910_2 M530.3242T15.17_2 530.3242246 530.3221645 530.3267814 15.16638622 15.15000276 15.1792564 0 88 0 88 [261][M]- [M-H-COCH2]- 573.348 7 426.3488692 71.29511615 0 1 1 0.189315805 0.140738824 1 3150.42608 596.4254479 0.189315805 3169.933006 446.1326419 0.140738824 0.743407683 0.953911051 5.55E-13 1920.553078 3945.477601 2024.924522 0.747406799 0.742479447 0.787240672 0.74553284 0.793198186 0.901231501 0.724798353 0.405184402 0.728319842 0.407746984 0.901231501 2204.454841 3272.464714 2568.542726 3664.626832 3553.879208 3126.811126 3656.624716 3792.040932 2055.997642 3120.41677 3003.415807 3231.318377 2071.800512 2503.137199 2289.620373 3403.228886 2387.139344 3042.766184 4775.917094 3497.675237 4675.390292 4464.744195 3645.449511 2902.046832 3584.462007 2402.094119 1979.994496 3614.047538 3660.884054 2749.891566 4089.422858 2772.070268 3101.951693 3595.464014 3164.097644 3280.459582 3535.187371 3454.101186 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531.3033124 531.3084473 15.16766918 15.14696522 15.18047559 0 182 0 182 [260][M+1]- 7 Inf 80.63526356 0 1 1 0.161593757 0.098085506 1 1016.552458 164.2685312 0.161593757 983.2604015 96.4435939 0.098085506 0.606988212 0.957518417 2.30E-13 785.1593192 1200.663084 415.5037649 0.819778203 0.81954228 0.715391897 0.8171566 0.695696123 0.749653067 0.42867626 0.353431511 0.415237992 0.339363007 0.749653067 1013.884504 958.1100818 956.5950257 1093.975167 1236.977598 1058.077177 845.580835 1324.981501 706.9228018 833.0757589 961.0503687 985.5376539 1043.87668 790.4073831 755.6328615 932.0533001 1021.19142 976.8755657 1097.956939 1131.778653 1870.362061 1108.506035 1100.63614 890.2979512 1102.021334 1287.234921 884.3881585 1060.33569 862.1786648 675.6503833 1109.884785 1064.890024 809.8414685 757.949756 1039.154729 890.6512339 1086.075521 974.6496077 907.3054821 1035.135346 801.5924303 914.9010066 1044.765094 886.7690827 1172.081277 1000.655432 1418.543012 963.238434 962.151853 1415.703057 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15.17970849 0 101 0 101 [261][M+1]- 7 Inf 73.31059003 0 1 1 0.200625681 0.157722482 1 993.4891331 199.3194337 0.200625681 942.5032093 148.6539457 0.157722482 0.786153007 0.927920705 6.72E-11 546.9800264 1268.185759 721.2057327 0.98418722 0.984412683 0.748298881 0.984532799 0.72890136 0.507044165 0.49728049 0.54355829 0.470387514 0.529415534 0.507044165 1054.399791 1012.833261 916.7785542 1047.053097 1327.162246 804.755902 939.0650102 1400.373926 743.4234962 861.680307 590.4165784 837.6822922 899.7942788 836.5333954 766.716366 989.8387905 989.0596763 971.1783651 1778.162755 1166.043935 1870.871554 1150.019634 1193.449773 826.7709304 1122.890648 1233.452186 887.9986512 1076.115047 860.2823635 690.7554199 1153.773649 1103.556876 810.7228779 981.9921698 1050.011667 921.0229715 1148.985609 1248.904237 1010.061713 771.879124 845.0419585 848.9806153 845.8333296 873.6917525 1217.179385 825.4436643 1393.727539 1014.654735 998.8977213 1359.424805 791.7191253 1097.450473 982.2660075 788.1746051 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0 0.672259794 0.237452427 1 371.8865949 250.0044057 0.672259794 347.3375763 82.47615046 0.237452427 0.353215273 0.856019175 9.61E-08 193.339735 593.0856224 399.7458874 0.997345783 0.997340401 0.828852751 0.997357946 0.82588821 0.953173798 0.609859933 0.875157643 0.617797275 0.875416782 0.953173798 163.1203746 193.4920151 158.3227166 203.4207025 423.5906276 157.3631849 195.5838206 143.2886814 222.777293 184.07889 216.5018763 94.13125058 101.4525701 88.90173666 198.721529 189.3084039 208.2183606 411.0397942 283.0618266 183.2705386 152.5655269 560.3664635 562.2855267 387.6507727 572.8403745 758.9895079 459.1513223 429.8701637 716.4434072 722.7188239 481.684871 1171.411118 928.7616724 586.2738171 346.3909132 1493.549176 415.2234053 559.5579895 339.6741919 362.7029507 586.7514619 602.4400037 581.476159 588.8432675 535.4186415 830.4468106 558.4474002 793.8402132 913.0731306 888.526276 527.7423885 1538.12918 602.5858545 899.4763944 929.8075751 1170.628571 466.4726417 828.3550051 481.1152807 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0.828627119 5.70E-07 209.9109657 539.2742778 329.3633121 0.857304546 0.859237744 0.907981747 0.851132986 0.905542086 0.537439551 0.796608404 0.989714906 0.787138101 0.98888698 0.537439551 294.4517751 257.3757492 425.4748002 451.0973687 347.3860395 362.8480904 209.2734155 408.520893 359.6844884 323.7102609 507.9088881 337.3910376 322.674064 275.0754303 337.9154088 381.191294 184.3265546 401.1136989 308.486033 452.3965811 274.3930788 365.6680469 251.8233618 313.4201847 448.152654 437.071026 444.1781163 347.5639463 390.3704927 328.0191613 465.5587043 511.8323935 293.9551701 283.6449317 322.5445609 279.9491353 425.3568346 356.4675213 324.7643967 326.9553579 346.9235928 308.1345565 356.350036 345.1575751 188.0682425 494.9047936 368.6750285 443.4739635 476.7297774 339.4579019 346.7475164 259.7893864 322.1866026 356.7762203 243.6308564 310.4653269 285.9629633 318.1168523 317.7509853 305.8266309 325.7267615 246.4933294 353.9801061 266.0206573 333.712687 368.5144129 516.1480503 199.6732214 386.6341813 244.6455333 340.4155669 446.8906233 421.2611043 378.0215715 189.7534543 285.6968203 400.3983386 296.0717962 316.2231764 308.4337617 421.7326458 333.6832009 271.6091236 440.9671678 251.3740392 293.8353253 462.9730149 341.2250321 294.6506441 305.3825854 328.185366 434.4858697 273.1952946 360.0875516 320.8068027 369.1810956 351.4350638 268.4990639 305.6236143 318.3239359 349.5908037 324.3101982 272.5863247 418.8007131 249.6132395 423.8295236 344.3832637 394.7055403 248.6044152 426.5045424 436.1512446 409.8780504 257.1641118 495.0205322 342.7127213 207.4883667 358.1653728 353.7602667 382.6963783 363.6846419 633.8294575 518.2646158 422.1046372 No_result_found_in_bank_inhouse +M537T1131 M537.4161T18.85 537.4160806 537.4128393 537.4190374 18.84517025 18.39477356 18.89017889 0 372 0 330 [266][M]- [M-H]- 538.423 95 62.41233103 23.76144609 0 0 0 0.591375907 0.117858281 1 2981.216469 1763.019592 0.591375907 2788.827623 328.6864298 0.117858281 0.199295033 0.98425006 4.74E-18 2074.962517 3597.994439 1523.031922 0.174429974 0.164495315 0.745030178 0.165190626 0.72890136 0.896173123 0.072970069 0.993331005 0.070626021 0.993591413 0.896173123 2971.835913 2660.000564 2172.645413 2758.859025 3672.946989 1261.694764 2918.521401 1474.706914 3578.643791 1245.452587 1785.257102 3253.460348 3778.631608 2242.13984 7158.913499 2463.264581 2494.570874 744.6700846 4539.289576 1685.539858 1178.75327 2611.251281 2901.546511 2886.785737 1942.799069 889.8638283 1726.724083 1630.714125 1690.953904 3578.643791 1799.408689 2921.773236 2746.174177 2601.410765 2353.99207 6466.272765 3864.805221 1372.27413 3371.079716 1724.901923 2333.191204 1567.384196 2379.296255 1404.792474 2044.015808 5563.888711 1940.690387 829.2177798 8327.947977 3144.044948 1751.611896 1879.538607 3204.493833 2853.484713 4341.198965 5812.933539 4910.26999 3048.594779 1567.384196 3338.008043 1212.934243 2283.702668 1993.374506 853.606538 1983.619003 1393.411054 1119.007279 2170.536731 2780.318438 2028.552139 1579.402861 5884.194402 6344.328974 1848.61127 1253.260036 1155.557768 2330.093674 1545.663948 2681.137488 3144.523894 4181.859078 1569.010113 3669.10678 2773.814769 2394.057029 1494.217921 2934.780574 3271.345437 2803.081279 4571.622701 1385.404112 5532.996284 4072.567947 3175.416321 3233.949341 2581.026838 2300.572125 1130.012465 1682.824318 1655.183725 3103.979989 878.617524 2232.391405 1925.226719 3040.719527 887.7507996 2850.235248 1286.100517 4411.113405 2285.81135 874.7434618 1814.169464 2312.05428 1195.049153 2637.237723 2477.701418 4307.054703 643.8632173 4470.405962 2030.660821 495.9047507 5438.693085 933.2764816 No_result_found_in_bank_inhouse +M538T1131 M538.4195T18.85 538.4194872 538.4158977 538.4218651 18.84896368 18.60204717 18.90735709 0 327 0 315 [266][M+1]- 95 23.71278563 23.64082826 0 0 0 0.573391213 0.153014385 1 1109.110863 635.9544236 0.573391213 1039.280799 159.0249126 0.153014385 0.266858615 0.987997375 2.43E-19 716.3177569 1553.913075 837.5953177 0.238268308 0.226911273 0.715391897 0.230640536 0.695696123 0.897437208 0.072970069 0.949929757 0.070626021 0.950568451 0.897437208 776.5380672 994.7397787 865.7872388 903.032956 1285.999586 476.4640811 846.7224996 416.9949152 1309.873341 480.6582611 754.4106481 1335.338679 1282.816419 915.1605964 2603.830845 1163.447645 855.9487474 296.0345581 1730.168979 811.6755363 389.3231577 1185.538208 1083.639547 1215.053682 680.2614019 291.6409936 555.4626924 614.9057093 604.8017854 1534.286635 751.2390895 1034.52937 1223.927824 874.2202313 1000.71512 2127.947335 1413.326278 687.564135 1362.631052 718.2098685 735.3116444 560.2374434 829.2442709 716.2126406 648.6376797 2191.61068 785.6738092 541.1384396 2764.580793 1076.612053 637.3936896 665.5036649 1019.689353 830.8066632 1363.987185 2150.413109 1422.875779 1212.786738 469.5171755 902.4279272 488.6161793 799.0260475 1169.81398 337.4157329 810.1160758 391.5295769 472.9503342 870.7064844 900.8363436 1118.777016 550.2527662 1900.350873 2307.796287 613.5002106 482.7888255 526.3592872 877.7339782 508.0878033 1244.618411 905.6110945 1484.947542 549.0963578 1275.490129 1069.54421 1014.067358 440.8686699 982.0071095 1422.875779 1532.695051 1724.546984 523.5482897 1898.75929 1579.077862 1115.700136 964.4996894 992.2821275 912.168698 565.0121943 752.8190645 558.6458597 1034.44709 366.8351775 762.4830796 741.4005981 1180.618962 526.8141868 1082.936798 471.1087592 2037.227067 659.8816698 396.3043278 807.45904 989.9650277 565.0121943 969.2744403 933.9539288 1556.568806 467.9255919 1746.332215 824.3250252 262.6113016 1725.276672 318.3167292 No_result_found_in_bank_inhouse +M539T47 M539.0071T0.79 539.0071093 539.0049136 539.008569 0.788876515 0.787083333 0.8062 0 311 0 311 [268][M]- [M+Cl+NaCOOH]- 436.05 [M-H+NaCOOH]- 472.027 16 Inf 69.32245502 0 1 1 0.236287603 0.163083223 1 1888.799669 446.2999455 0.236287603 1725.615893 281.4190023 0.163083223 0.690189505 0.9276481 6.99E-11 1225.952616 2410.093611 1184.140995 0.078405877 0.076439397 0.825939361 0.078210942 0.818499383 0.896173123 0.157056109 0.641771252 0.155076272 0.648669738 0.896173123 2221.293894 1979.962707 2112.594144 1640.208945 2612.581173 2034.222489 1344.520959 1639.199068 1896.655722 1389.660584 1451.647023 1925.448193 1553.505853 2067.476891 2114.677541 1776.131641 1524.549575 1248.794628 2849.293359 1468.54727 1638.677011 1668.523423 2364.849212 1827.297007 2519.302269 2339.42983 1512.873658 1089.306508 3018.766372 1825.019666 1887.485913 1660.05236 2185.46869 1605.631126 1558.613253 2301.729974 1557.84768 1778.990363 1704.708595 1759.01473 2204.410204 2667.43487 2604.013243 2011.748323 1779.81917 1532.105497 2252.312411 1323.579094 2386.654522 1491.432125 1660.182991 1384.162665 2005.423519 1705.034591 2023.610949 1359.630871 1961.711987 2276.036719 1577.374475 2077.637161 1507.434104 1924.719901 2251.3137 1999.139735 2022.013442 1962.849755 1736.828094 1711.217518 1405.521306 2757.209649 1503.413104 2019.667392 2499.638184 1830.836059 1683.875669 1494.628372 1586.637121 1485.558789 2075.189841 1942.662191 2485.573567 2104.634146 2001.070006 1715.078347 1775.626173 1441.144921 1141.465471 1310.724513 1399.132461 2175.074285 2163.871602 2112.217556 1890.514911 1746.687739 1424.86735 1218.940516 1006.803869 2022.075663 2087.557649 1361.824374 1447.842075 1195.623202 1716.680354 1650.700757 1801.590967 1447.080475 2383.360832 2541.2647 1915.207975 1930.65429 2380.011061 1751.823595 2359.507098 1719.661084 1981.17367 1731.05454 2509.849843 1249.928572 1170.535812 1585.098929 1618.214689 1507.048861 1751.055642 No_result_found_in_bank_inhouse +M539T1135 M539.4316T18.91 539.4315716 539.4213017 539.433907 18.91061308 18.71055499 18.92515512 0 280 0 277 [269][M]- [M-H]- 540.439 29 93.7277502 23.49871494 0 1 0 0.827878049 0.158790372 1 3884.275954 3215.706799 0.827878049 3794.622363 602.549495 0.158790372 0.191804061 0.979700397 7.57E-17 2721.64019 5535.86193 2814.22174 0.819778203 0.819878388 0.87036886 0.818415338 0.870785244 0.895228214 0.932121346 0.611067583 0.933537508 0.60997047 0.895228214 7182.85194 3893.562882 3737.127571 3180.465005 10222.47207 2722.027619 4623.917507 1203.963426 10302.23777 1985.417948 1399.638642 1215.180477 4536.67378 2563.719221 9191.749761 2348.102583 873.1487059 978.3760763 11994.15986 3543.218598 1775.18223 7156.568589 3839.199951 3500.386203 3076.547371 1473.251711 2583.660645 1480.476546 2640.992236 7935.440099 4151.603004 6029.787843 4845.76584 3080.007584 2377.50952 19493.98753 2284.539297 1784.757377 3274.815393 2056.503865 6831.183789 1818.408529 2351.538896 2353.087939 1085.002804 14089.86184 2475.018858 539.6647656 4829.563434 3859.758988 2514.838775 5974.977489 1698.000021 696.7034734 9305.166606 12082.38604 6221.724042 3653.019464 4403.315513 2031.53249 1039.446685 2398.366668 3216.800832 1876.98646 3048.545073 995.8248216 3674.736053 3239.388793 8192.185923 2985.076821 1624.775653 7308.531607 10505.39102 2151.959301 1903.647559 1760.606637 4735.836932 3879.419801 7486.758077 2733.221319 9346.295791 6387.487122 2563.462197 5866.517441 3403.188222 1078.083192 4016.950438 15311.27401 5933.819744 5853.257538 1766.462357 9636.692766 4961.448807 15104.38174 4005.733387 7225.796765 4452.779184 686.7327618 1202.717087 2235.932077 3893.49585 6611.115308 2573.829608 1137.416307 5246.866194 1883.218154 4661.458805 1152.863529 6522.091729 3211.857272 933.507874 2104.02094 4056.833284 1302.424203 5325.606336 2629.869491 4338.505887 1149.124513 6879.279195 1941.272458 418.7698874 11919.98572 1363.494812 No_result_found_in_bank_inhouse +M539T1149 M539.4317T19.15 539.4317318 539.4296137 539.4338657 19.14717326 19.04679079 19.34984166 0 313 0 233 [270][M]- 114 47.09795283 22.50487755 0 1 0 0.705344994 0.178094197 1 1870.232394 1319.159058 0.705344994 1780.658051 317.1248665 0.178094197 0.252492325 0.980255839 5.59E-17 681.7388857 2338.775097 1657.036211 0.881028527 0.879790463 0.787240672 0.879616105 0.793198186 0.896173123 0.497794523 0.699823706 0.501632992 0.701953625 0.896173123 2056.007017 1420.864707 1869.501928 1470.325765 2547.6988 1274.776563 2520.505217 793.7127014 3941.369924 834.5030758 909.2854288 650.9463911 2382.837703 1232.209226 4969.627278 2233.272997 790.0503122 416.4017384 4593.768588 1482.471501 622.4685968 3111.013126 1656.928932 1668.895326 1505.133391 558.7919223 1368.177141 654.3447002 1125.134493 2489.912436 1530.170962 2158.490644 1789.677676 1545.644424 1420.055536 6579.147467 1787.978077 1147.229279 2805.744756 1150.79784 2668.370324 1186.320055 1794.640459 1740.389307 383.3195639 7340.567789 1344.799902 537.0732626 4532.830353 2269.615418 1418.892835 1970.087223 1238.877782 705.3335569 4007.654283 5062.805507 2867.223399 1223.711231 1359.679146 1648.610964 292.3310164 1482.3182 1262.802007 873.5938512 2209.478612 601.6580221 1036.427911 1383.083469 3846.192384 1736.545205 955.7287289 4689.193454 3873.385967 1393.970278 953.1511324 868.1475883 2391.258529 1436.984238 2156.791045 1019.759359 4704.489845 1339.283959 1159.672802 2802.63864 1231.657626 758.0211238 1623.11698 5680.059632 1815.17166 2485.443331 933.5924923 3166.352811 2810.956225 5086.899605 2248.569388 2951.542368 2359.222041 562.5672466 769.9183164 571.0652413 1904.99514 1583.552979 1675.378095 1341.764579 3040.80919 907.5858299 1328.34433 705.3335569 2938.606554 1716.113933 730.8275409 1012.226684 1784.578879 1019.759359 2768.646661 1434.746806 3485.87741 939.8782096 3043.924664 1204.238779 317.8250004 6788.198136 875.2934502 No_result_found_in_bank_inhouse +M539T1173 M539.4318T19.54 539.4317881 539.4289978 539.4340107 19.54353379 19.43618914 19.65791971 0 146 0 125 374 20.62378761 27.83718548 0 1 1 0.625948775 0.137710353 1 870.9884932 545.1941801 0.625948775 848.1165637 116.7944313 0.137710353 0.220002592 0.970987661 3.69E-15 613.5667492 1141.022734 527.4559852 0.311387428 0.29406681 0.715391897 0.291679712 0.695696123 0.895228214 0.072970069 0.876780146 0.070626021 0.875416782 0.895228214 1077.894365 654.6853784 833.1607342 750.7161066 1758.683639 669.2796941 901.8783272 450.5232221 1444.805805 541.6926456 415.0552346 463.8225842 1088.329854 627.4744775 2212.510649 1170.57007 356.4202819 195.5588365 2633.242442 926.1243753 311.4536058 1181.79202 983.6721858 514.1354501 518.2122911 353.0370722 465.1607809 259.3568086 507.6723926 1008.215448 753.127028 1152.345689 1215.218235 789.5210248 481.5751163 2353.5847 1165.632178 522.8438346 1069.560054 529.2471371 1041.938187 787.8537846 480.0838672 1138.213703 223.7691908 2330.882536 581.7130973 388.6297279 2160.498568 649.6377507 636.0920261 883.3521277 458.9518245 353.2653238 1737.737796 2295.455757 1420.128252 940.1259526 831.0304253 828.3044326 376.1517265 773.7719878 686.6390344 557.7217631 870.2289164 277.7048761 522.5830922 814.1758332 1437.863326 550.2132378 366.1152588 1821.971634 1173.377925 411.7084255 383.4910685 285.1509373 1135.917088 559.304065 1152.937467 1040.97644 1862.283906 1188.704101 672.0401097 798.2809029 604.2355153 464.2161658 917.0199519 1700.863827 978.3538091 1634.400924 436.6197638 1587.556341 1231.62608 2331.055249 1557.571126 1600.999733 772.4643225 339.5752039 530.2567604 493.8902269 876.1787961 896.8370609 387.8395553 436.3329417 962.4061705 327.6903689 799.5713893 465.7960369 1341.813552 410.5237892 207.8663866 517.0184171 1225.591619 411.690443 788.847925 732.1290946 1311.422986 462.379334 1125.186839 631.119583 219.9189386 2280.860038 523.8401576 No_result_found_in_bank_inhouse +M540T47 M540.0104T0.79 540.0103905 540.0064603 540.0134782 0.788876515 0.771699834 0.806016667 0 108 0 108 [268][M+1]- 16 Inf 55.76797395 0 1 1 0.324819644 0.229823761 1 297.5070897 96.63614697 0.324819644 270.196812 62.09764748 0.229823761 0.707542678 0.860044776 7.17E-08 162.1653015 401.1597896 238.9944881 0.910340778 0.911024122 0.946475109 0.909340067 0.943247809 0.895228214 0.909199176 0.989714906 0.908458169 0.98888698 0.895228214 292.8811956 165.7835713 232.6981027 366.3851209 249.559226 342.1655727 184.7234423 267.9602526 342.0026768 273.5276783 177.3271684 289.9290963 263.1944017 262.8734121 443.4863033 158.0462045 357.4531879 234.0862948 358.015535 367.7335252 310.9424116 228.0309507 224.2812498 221.4887755 343.1131496 385.7473575 234.4920627 156.9953737 408.2072299 354.6417767 313.4401603 441.4275611 401.8152627 193.512156 459.8314706 371.5599568 217.0106568 167.5046105 173.9099636 258.8200822 201.0943619 442.0364088 557.3607908 274.2094742 354.6428023 256.5356694 338.3384136 258.6690047 390.0262321 194.1070926 253.0375642 493.0714825 212.7313134 365.3007417 339.391514 307.0118784 283.6885431 339.9983601 293.5687111 288.3243857 273.6763035 395.2322068 290.6906662 250.926883 315.7957335 250.5121673 302.7359853 394.8620461 339.8247551 320.3902277 331.5650696 269.2310589 620.5083038 346.9049532 378.1419227 211.8082331 192.1783796 147.43787 404.0693792 389.6711633 331.2104369 290.8086347 364.4749946 300.4489197 247.7858407 143.340935 150.850519 243.5362634 304.4273613 327.1916683 365.1594741 257.0774139 285.864487 320.5648905 257.0719785 195.4020239 152.1927925 252.9319331 200.1074664 105.0666482 339.5101752 167.7860138 198.8295884 250.1416055 336.9716415 336.9935747 448.062646 340.1847077 285.2373066 273.9165914 270.7810814 193.1897411 235.7697421 151.1349404 401.7524882 280.6065887 375.4086051 172.8634542 152.622012 290.3802563 388.3976768 173.6366161 241.2594547 No_result_found_in_bank_inhouse +M540T910 M540.3308T15.17 540.3307596 540.329052 540.3334279 15.16703864 15.15221842 15.36742737 0 333 0 324 [271][M]- [M-H+HCOOH]- 495.333 7 35232.94513 77.2544625 0 1 1 0.155103537 0.037127135 1 764078.4165 118511.2652 0.155103537 735739.8548 27315.91277 0.037127135 0.239370007 0.995829628 2.24E-24 679125.1097 796380.8547 117255.745 0.199692144 0.196692426 0.825939361 0.199697072 0.818499383 0.926511606 0.333207751 0.584909599 0.332552928 0.58395018 0.926511606 666438.523 654480.3508 872527.2631 867071.911 829297.5186 582378.5273 636920.1357 870736.8438 734643.7175 644020.7979 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890921.9314 644835.8139 798681.8434 854377.0527 597921.293 683885.8413 549756.717 848709.4277 824717.4155 766889.1396 791461.4559 916462.9376 715316.2415 891731.6464 851319.6766 800483.6968 762560.9216 879426.2778 864266.0586 937908.039 739571.9246 754742.3588 745691.7709 711128.8684 658043.2715 717809.2803 888731.9473 1059196.67 761193.0479 No_result_found_in_bank_inhouse +M540T1135 M540.4351T18.91 540.4351005 540.4326874 540.4375641 18.91160991 18.89251455 18.92577155 0 203 0 203 [269][M+1]- 29 46.10045707 23.14494515 0 1 0 0.789015784 0.171456709 1 1413.287674 1115.106282 0.789015784 1374.415816 235.6528127 0.171456709 0.217304536 0.974606027 8.68E-16 889.6395163 2021.907992 1132.268475 0.838093795 0.839933401 0.858784823 0.839651353 0.860184011 0.896173123 0.906045885 0.610518283 0.907689637 0.60997047 0.896173123 2281.698287 1509.436398 1283.358662 1447.987501 3323.214443 1108.088583 1186.686989 312.9319361 3303.579498 819.7589543 690.9046276 666.3609464 2060.442042 851.6657399 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416.0153975 960.8851216 1583.061793 2642.808743 946.0196344 474.2540946 2119.410275 483.5105209 1399.074831 353.4290102 1788.00718 970.1790217 362.0192987 752.4889139 1384.263623 661.4522101 1622.337332 959.1045056 1684.923719 624.6366882 2653.011623 627.2599275 105.5378294 3706.095871 414.7882134 No_result_found_in_bank_inhouse +M540T1149 M540.4353T19.15 540.4352931 540.4323801 540.438224 19.14659009 19.13009925 19.34720315 0 141 0 126 [270][M+1]- 114 16.72507862 21.70029629 0 1 1 0.66192718 0.189577777 1 722.5177286 478.2541225 0.66192718 661.2685177 125.3618155 0.189577777 0.286402769 0.977144914 2.76E-16 415.1128491 1113.69386 698.581011 0.811312041 0.811003584 0.819596024 0.81035272 0.814503953 0.895228214 0.548745815 0.825522489 0.548555348 0.826905887 0.895228214 838.7762912 919.538619 620.1553233 593.5170697 1389.661618 544.407401 1100.740679 376.4787497 1376.296885 240.945004 297.9667646 613.5474325 1037.39389 394.200141 1956.60325 818.747958 242.3335989 127.4553197 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618.5195402 318.8832017 375.9277871 444.6615301 538.9487826 565.3422608 1506.698569 406.3405416 264.1571582 310.6045618 1022.672115 257.940772 1179.895997 557.7533812 1535.906005 261.3389318 951.9396909 328.5509367 130.0309122 2556.032124 335.9347662 No_result_found_in_bank_inhouse +M541T910_1 M540.5104T15.17_1 540.5103545 540.5028851 540.5143998 15.16673947 15.15135225 15.18614156 0 69 0 69 7 Inf 72.05508817 0 1 1 0.191805024 0.094859232 1 836.3719276 160.4203375 0.191805024 803.0296716 76.17477801 0.094859232 0.494560727 0.965239516 2.63E-14 641.8161025 963.1354831 321.3193806 0.540641134 0.536971005 0.81438186 0.537461595 0.810685871 0.896173123 0.442584228 0.83793998 0.440657879 0.837982462 0.896173123 623.4617679 649.891752 893.492679 900.715142 910.3485087 626.4028266 748.6728515 994.0610867 798.0824209 809.4821624 677.0469602 681.1081286 788.9451064 565.3807404 576.4465797 991.9956316 682.7591149 657.5409684 830.2064587 910.4232929 796.1336994 1030.290506 807.8444255 714.0289347 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951.1822208 852.939016 879.123277 950.6086124 910.131056 1185.518519 727.4142685 850.9431776 735.7343663 632.729721 921.1350075 971.833604 897.3826342 1481.622612 883.1129616 No_result_found_in_bank_inhouse +M541T910_2 M541.3341T15.17_2 541.3340522 541.3326322 541.3355701 15.16618986 14.91276995 15.17868603 0 267 0 267 [271][M+1]- 7 24109.34964 75.29913139 0 1 1 0.167696298 0.036875501 1 212546.5984 35643.27781 0.167696298 205396.6485 7574.104323 0.036875501 0.219894544 0.994325398 6.59E-23 188156.9645 220105.24 31948.2755 0.106877802 0.104198349 0.787240672 0.107009436 0.793198186 0.953173798 0.14978964 0.595091994 0.154524572 0.599350849 0.953173798 189243.915 182448.7957 238709.6158 242702.6881 230266.1535 166746.8498 177801.5568 242004.3318 203280.4725 183497.5772 187439.1814 219682.7004 189131.1833 152303.1944 157952.8904 222409.6112 157674.5478 182159.8374 232198.6681 260552.4092 210010.7461 259491.1752 240897.6778 215240.4721 226118.3508 224388.0258 236272.7195 251869.6043 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243328.3738 260750.8207 201592.2615 210879.1174 202588.5028 203092.4543 179777.9017 198651.983 240032.3787 290363.0541 210390.0277 No_result_found_in_bank_inhouse +M542T910 M542.3367T15.17 542.3367459 542.3352525 542.3378831 15.16529912 15.15221842 15.17868603 0 147 0 147 [271][M+2]- 7 2522.144174 77.13289465 0 1 1 0.15662913 0.038411026 1 42168.65855 6604.840311 0.15662913 40435.22219 1553.158369 0.038411026 0.245235518 0.995703042 3.11E-24 37504.8658 43715.80588 6210.940077 0.104583591 0.100398792 0.787240672 0.104340305 0.793198186 0.94309074 0.219428652 0.443813322 0.224960841 0.450570565 0.94309074 36505.59983 35965.54241 49000.13939 46230.07012 44555.59737 32652.40377 34272.19245 47700.71867 39838.40342 33811.92297 38684.21323 44385.92926 36034.18955 28541.66695 31109.62649 44623.96882 30855.4109 35373.13934 47193.19774 50887.60827 43550.89229 50896.19478 46543.01214 42635.62989 44929.98858 44514.59846 46814.20576 48337.72133 41128.05807 28287.76949 42347.02171 52081.18202 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42583.65846 38127.25986 36436.18526 39909.45519 47899.93594 60166.84727 41482.75418 No_result_found_in_bank_inhouse +M543T910 M543.3394T15.17 543.3394381 543.3379477 543.340727 15.1686712 15.15343987 15.17776157 0 103 0 103 [271][M+3]- 7 Inf 76.08373115 0 1 1 0.158883728 0.069759842 1 6288.329219 999.1131902 0.158883728 6028.848976 420.5715503 0.069759842 0.439062216 0.99141824 6.16E-21 5158.242179 7081.88019 1923.638011 0.208528869 0.202711405 0.748298881 0.202253077 0.735276384 0.895228214 0.176994367 0.594322538 0.174735741 0.59093287 0.895228214 5554.894545 5395.289168 7972.218003 7445.765846 7041.602737 5238.290189 5282.705801 6370.797441 5773.274177 5227.403891 4991.783637 6558.341974 5896.720155 4298.758391 5028.075902 6107.155007 5049.634248 6013.857964 6797.590042 6988.188551 5977.201604 8001.135555 7544.302402 6063.059646 7208.722826 6140.833146 7574.552267 7452.31014 5848.069257 4483.568596 5705.350031 7811.793 4212.238326 6846.2632 6357.620892 5764.318143 6319.441651 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8726.49137 6171.491984 No_result_found_in_bank_inhouse +M543T967 M543.3539T16.12 543.3538772 543.35064 543.3571547 16.11657738 16.09907627 16.2249551 0 71 0 70 27 16.17030002 19.86637097 1.11E-09 1 1 0.412688569 0.25164367 1 222.1828364 91.69231676 0.412688569 222.7523858 56.05422789 0.25164367 0.609766515 0.797580619 3.05E-06 118.1405084 382.9150647 264.7745564 0.664534498 0.667645973 0.939424263 0.663023274 0.936212582 0.828457199 0.944531655 0.714738596 0.941389658 0.706776788 0.828457199 152.0412004 194.1127318 163.7115878 206.955196 166.30795 84.45414593 251.858576 155.0078125 169.3326832 264.8106582 135.6420633 236.5647952 153.8967727 247.3737848 192.0920734 187.3343537 165.0211809 292.4941826 161.6667814 209.4339734 169.6255931 172.8070152 267.0409151 188.2221566 200.5619921 318.898889 191.9301821 162.4251569 192.1107177 355.5118334 141.3462278 242.7231813 120.9739958 145.9722399 257.7016416 154.5129444 131.2776936 106.5490559 153.5080806 110.2994588 228.5654424 171.0591034 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M544.342T15.17 544.3420008 544.3389087 544.3444307 15.16716102 15.15039854 15.18218899 0 182 0 182 [271][M+4]- 7 Inf 68.01709308 0 1 1 0.212759043 0.152783981 1 911.9534046 194.0263332 0.212759043 872.7919973 133.3486357 0.152783981 0.718108048 0.977599231 2.21E-16 550.4288026 1231.394273 680.9654705 0.378300171 0.377507193 0.828852751 0.377747554 0.82588821 0.896173123 0.658555572 0.507869133 0.654535959 0.505318217 0.896173123 981.0503053 596.9118717 1036.964778 850.6114885 1099.964428 702.297918 824.4735503 1084.085016 767.0856383 849.9985309 943.9033502 1157.309203 933.5183841 544.1454445 762.9906069 990.0479089 841.9700507 648.805592 1145.345335 1002.992286 719.0218799 1030.503662 895.871125 1013.053465 774.3409095 968.4605727 1084.984533 1078.98093 1024.920546 693.3693604 790.0098471 1041.941702 536.1425206 769.6857229 946.3428274 920.8304261 985.1281605 731.4068809 920.0866869 903.2068718 985.4748272 1023.596421 796.2113375 853.5366315 1036.686523 874.7541447 907.9795118 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190.1747459 83.74104959 403.9783648 267.7023714 151.2782547 345.6919037 141.4230206 134.1173573 169.6948974 54.43195197 173.3544087 174.8690565 106.7514078 135.0934793 135.1583508 123.3111832 146.5438497 101.9075955 214.8629981 119.604897 162.1584926 332.0461149 220.2206388 184.54032 196.8842424 122.878355 258.9055587 345.144662 195.4052511 532.4518644 69.297574 178.8449599 154.6187578 251.8068476 181.0210328 89.83432234 499.3356202 227.8900678 175.6419288 160.7279311 104.6990997 189.6174417 211.1168473 258.1793988 222.2715916 125.4114949 120.4779939 221.9593748 94.18013067 127.1394784 122.7962327 259.4699657 148.6485689 121.3888798 125.5222154 356.2872948 116.4846459 288.3605517 149.9664655 103.1266033 271.7970329 243.9303177 88.39779007 177.2041169 141.5319589 255.7359529 59.47576099 229.2754004 105.9216036 78.97608426 295.1515863 93.7938257 No_result_found_in_bank_inhouse +M552T880 M552.3097T14.66 552.3096804 552.3075614 552.3124841 14.65891494 14.64772863 14.67512376 0 157 0 157 [277][M]- [M-H-CH3]- 568.343 20 Inf 33.32443348 0 1 0 0.548206268 0.149821532 1 2176.689233 1193.274682 0.548206268 2113.000251 316.5729342 0.149821532 0.273294087 0.9783393 1.54E-16 1512.225738 2953.401777 1441.176039 0.005212977 0.00550795 0.907981747 0.005644565 0.905542086 0.897437208 0.242443861 0.082315327 0.243117956 0.082929565 0.897437208 1946.278502 1693.597777 2046.97882 5132.462089 483.330483 1770.509161 2366.184172 3052.358171 1217.061096 2106.078611 2173.046087 1543.16359 1185.033172 565.8266497 1463.579053 2451.591968 1706.718538 1710.09701 2646.411323 7073.350184 2504.772764 1797.692601 963.5082088 1549.747287 1650.360361 2273.295632 4340.268915 1252.928425 1791.622634 1001.600519 2174.896599 2377.830689 889.0175148 983.6841164 1486.181505 1122.918411 1313.144866 2078.903403 1386.778112 1702.55276 1484.931002 1663.510939 2811.617803 852.1368756 2849.655345 2673.846347 1384.841436 1190.856431 4088.898242 1256.894524 1477.445366 1819.37177 722.7665006 5548.595123 1727.566786 1127.269475 2020.670814 3011.595359 2151.694138 2550.587368 2362.301999 3159.038063 3443.487055 2517.588901 4382.972813 4957.534351 4309.696663 2309.342224 1476.196114 1397.035518 1782.55684 1118.065696 1873.148257 4166.71701 1850.544737 1891.38659 3607.316777 2467.305157 5280.725216 1817.827298 1752.800908 961.8082502 1731.990107 2796.134782 2429.573677 2608.819956 2037.170048 2447.709795 1487.842631 714.1113693 2051.88736 671.6158518 2476.550169 2253.601168 5756.291354 3217.34905 3031.820535 2115.784042 1376.23017 2418.593501 1088.945087 3237.271454 2108.405322 1118.116232 1582.40272 2496.236952 882.5792483 2637.93625 2623.378103 2013.88353 2153.635224 1462.408562 1317.027039 2930.069735 2829.133249 1214.538395 1379.1418 671.6158518 1779.990965 1631.639124 1713.979183 3081.474465 1919.734328 No_result_found_in_bank_inhouse +M552T953 M552.367T15.88 552.3669892 552.3634649 552.369988 15.88126507 15.85499225 15.89737494 0 118 0 118 819 96.54209861 27.93555889 0 1 1 0.371545079 0.204046509 1 557.3383543 207.076323 0.371545079 568.4469972 115.9896254 0.204046509 0.549183721 0.88425491 9.99E-09 259.5462308 887.2779433 627.7317126 0.039994121 0.037408691 0.748298881 0.038833318 0.735276384 0.927138791 0.044071781 0.699823706 0.047011 0.701953625 0.927138791 435.5026344 923.1311106 408.9529459 335.4798477 401.2844244 377.9044985 258.9262449 534.7249266 816.8121892 197.3526037 313.2281114 309.4332753 336.515931 343.9004138 432.4690545 488.4052078 317.396199 487.9787119 602.1597209 610.0393116 648.1333011 514.6320783 538.5218633 505.0728758 507.7658556 535.6916838 502.3865927 783.2929251 458.7203946 495.1155628 634.0075891 542.5031032 314.8269706 307.2286932 534.2930963 915.2760049 533.77401 534.9764279 725.8254721 836.0395869 383.4544577 198.3121298 571.3658449 368.2522953 614.8334021 601.0051328 707.0528517 243.9087596 452.1979499 373.9628865 310.803408 693.3691266 520.9852345 1048.650046 352.3722169 439.7847885 297.4821769 673.7793769 286.6984959 519.2658198 595.958087 616.7874322 436.3234988 548.3302531 741.7171249 397.1761937 760.5708926 533.0930957 425.7793044 555.2741392 262.1150296 308.277153 198.4316509 1158.904062 426.0856056 458.2334335 659.0515239 765.4114553 942.2284772 335.7594718 486.3780085 656.0586338 278.6170221 330.1064048 658.2050811 651.7082135 442.1588635 316.3226961 287.7638793 239.7356677 354.766274 342.3885277 479.956163 572.494196 645.7650074 599.5406765 417.1155319 253.2695247 220.9198803 311.7262849 328.9435146 514.4332793 425.453465 385.2222402 569.7876887 804.2777762 692.0653364 470.9099832 678.4002378 442.3729392 248.2097432 631.9794108 587.6203772 602.5066248 563.1899406 360.2611758 458.6170905 423.8741001 285.7010478 342.6637296 693.2024362 740.907097 512.4050706 No_result_found_in_bank_inhouse +M553T47 M553.0228T0.79 553.0227822 553.0207374 553.024281 0.7888775 0.784891212 0.8062 0 316 0 316 [279][M]- 16 Inf 82.1387162 0 1 0 0.186884903 0.127433375 1 4103.471712 766.8769147 0.186884903 3812.235054 485.8059805 0.127433375 0.681881591 0.934672312 2.35E-11 2879.40013 5075.155702 2195.755572 0.692317928 0.691951136 0.828852751 0.691195028 0.82588821 0.896173123 0.526536603 0.999878042 0.526323027 0.999878616 0.896173123 4765.650987 3664.747588 3619.547939 3885.600447 3498.433406 3508.366563 4135.484804 5277.314334 3871.910867 4064.485183 4437.962644 4072.265963 4657.769691 4293.045608 4198.703645 4686.947618 5467.526375 3013.107226 4928.435506 4065.111908 3878.579656 3173.455974 4451.192296 3653.280483 3803.72504 3332.551554 4737.522691 5080.314531 5260.780176 3654.049015 3901.792999 3139.544908 4076.156353 4393.879455 4706.705892 3605.419137 3803.829038 3558.734454 3017.60586 4176.251521 4267.758072 3744.500587 4690.282988 3994.458159 5127.359028 2468.452595 5036.384649 3408.954431 3739.637599 2538.458915 3374.838491 4677.126013 3727.442024 5431.957345 4354.319254 2607.922435 4400.031339 4700.563984 3385.612089 3523.720942 3700.733697 5526.615956 3912.759964 3542.200296 4035.307256 3639.460051 3231.695611 4466.665445 3611.254722 5416.251933 5260.658868 3308.776882 4720.015935 4134.837038 5412.797828 4114.687878 4276.572446 4201.969368 5352.204346 5432.929943 4286.237425 4019.745695 3531.44735 4242.470535 4211.165064 4163.690133 3431.324174 4862.987776 4621.783582 5229.917148 4892.708867 3904.006586 4568.4455 3030.613982 6310.212938 3558.613684 3749.475468 3194.010371 4813.3853 4084.909731 4245.261965 3337.72597 5141.917366 4991.913575 3330.761367 3939.992696 5555.70979 4166.607926 3322.393248 4945.871098 3715.32266 3745.484701 3631.679271 3230.969078 3348.653382 5132.963229 3371.995724 3279.598956 4159.69894 5628.678867 3223.188298 4262.895084 3816.472806 No_result_found_in_bank_inhouse +M553T879 M553.3131T14.66 553.313054 553.3105072 553.316366 14.65730515 14.64250938 14.67301093 0 161 0 161 [277][M+1]- 20 Inf 33.88893879 0 1 0 0.544554307 0.181007211 1 749.4931251 408.1397092 0.544554307 705.4015717 127.682771 0.181007211 0.332395151 0.941889704 6.71E-12 436.0635726 964.2053284 528.1417558 0.045678263 0.048675865 0.995015422 0.047737378 0.994975567 0.895228214 0.600340838 0.204049355 0.596036326 0.199345342 0.895228214 511.3727422 642.9794469 934.8082957 1275.131289 204.3578087 740.4647826 856.3090618 888.2088173 509.3992207 803.4750918 559.2425887 532.32717 629.0233039 236.2575642 446.5965771 596.126681 315.2210578 511.3929554 1014.602267 2397.204 750.6116542 1125.175747 317.3199238 584.2714173 633.6832383 997.646052 1472.37309 367.479838 594.1329463 421.6748931 645.2366701 947.0239916 322.9850245 348.3693679 293.0288963 314.0132183 387.7814029 658.9293247 641.8723632 508.6315324 680.8604066 731.7006419 969.0850461 381.8001987 723.2200378 1036.742054 390.4794137 523.3553638 1467.388753 464.2762216 668.2501307 569.3570638 175.0290704 2164.199038 441.6122403 605.2454839 767.5878668 1178.297219 927.0866444 988.8924207 790.5158161 1326.014719 1089.576024 770.5784689 1595.984643 1690.687042 1687.889842 601.043924 674.8792024 703.9647574 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0.907981747 0.706260646 0.905542086 0.858832892 0.963161882 0.615416468 0.962082819 0.617404813 0.858832892 904.1325914 653.5718978 657.0881347 605.8900772 509.2902771 695.6274882 859.2130069 441.5104166 708.1659308 846.1553423 641.5811749 709.067689 557.1676971 527.8117462 788.3427496 857.3439574 685.6699668 600.0544514 611.6016302 788.2799514 493.3207155 492.6653771 566.7543713 562.2352085 386.7581202 490.3383287 1030.058547 775.721823 761.3111463 758.9222505 577.1563157 474.5637691 487.2220425 786.002335 695.0002054 538.8153745 588.642144 590.8903369 414.5855688 604.2838778 508.2591543 692.1477651 710.62084 514.4736042 614.423898 495.581548 956.7057094 721.1486696 485.5781129 617.4858143 502.4527503 922.3907548 418.6644309 782.7283197 768.3191073 520.0743258 518.391146 629.6162938 610.6533985 929.9074037 698.2782795 839.8374165 834.9670996 440.8888183 536.2383989 620.8217711 412.9207466 722.0176182 584.7119562 849.9087788 454.1134625 583.9589961 784.524909 462.7498206 1175.63108 615.0686096 525.0189773 596.3251148 935.6116662 780.6483741 878.6898285 574.1336074 567.7467915 602.1898394 691.4052274 621.8734759 678.3175666 590.7303596 689.460296 800.2241392 855.674648 810.8115138 509.0870571 630.1685749 970.20761 841.2688208 498.2338665 561.9976758 853.2170621 546.7092566 639.0295762 466.5690986 676.6494114 708.5425886 333.437996 536.3459367 664.3602345 527.250984 678.5542084 492.6716369 651.6354218 699.1182772 873.8379165 705.8784815 441.6891766 687.8459674 544.2992678 504.6234714 742.408406 739.4158484 533.5474203 755.6960535 532.6354452 No_result_found_in_bank_inhouse +M554T880 M554.3021T14.67 554.3021078 554.3000582 554.3043609 14.66812125 14.64930687 14.68100099 0 142 0 142 [277][M+2]- 20 Inf 52.51896307 0 1 1 0.295565063 0.097778447 1 1989.806364 588.1172442 0.295565063 1956.96906 191.3493946 0.097778447 0.330818688 0.984636021 3.61E-18 1617.83167 2470.768549 852.9368799 0.000277608 0.00026255 0.797864997 0.000267653 0.799360927 0.895228214 0.007250545 0.140155645 0.006965242 0.134363943 0.895228214 2042.234359 2425.202918 2125.411793 3111.685907 1253.550398 1974.496018 2527.762085 2900.69773 2658.349662 1571.244335 1580.168888 1143.83491 1692.256301 1388.149798 1587.001845 2279.608187 2446.64587 2416.190302 3037.449687 3477.628027 2504.853473 2375.339125 2845.454843 1629.255015 1317.335524 1904.195748 1822.030086 1592.73082 1658.745751 1517.060613 1826.293889 1997.358389 1118.695868 1704.11891 2254.883401 1007.706485 1664.620142 2243.860877 2427.59794 1972.333075 1657.302203 1944.057728 2206.341222 1442.092902 2513.869308 3118.801686 2272.24772 868.11335 2065.161192 808.4592745 1490.733242 2185.593792 1336.676901 2534.553245 993.613722 1682.442795 1460.508062 1597.966847 2086.339011 1739.748602 1657.452103 1596.777546 2814.628513 1486.246221 2233.230074 2386.538494 3255.331602 1866.799178 1617.061186 2251.586044 2051.818541 2134.664137 2465.190933 2476.013574 1525.881313 2612.117717 2398.742341 2357.085763 2802.16915 993.3211022 2203.217988 2237.295268 2038.761659 2076.701203 2151.113022 2519.422329 2513.835639 2884.573271 1975.752 1214.26811 2112.439462 1484.033896 1384.812056 2279.533287 2032.307769 2515.450165 1516.464179 1529.987894 1673.042795 1711.511414 1384.390522 2937.529076 1245.074503 1736.475746 1587.504639 2693.912699 2672.875047 2317.970931 1767.887758 1414.656529 1868.409739 1899.252221 2341.665442 2394.545786 1825.139389 1688.504126 2290.616773 985.1853369 914.8392505 1153.095526 2050.724778 2248.324257 2527.089926 No_result_found_in_bank_inhouse +M554T953 M554.3464T15.89 554.3463831 554.3442569 554.3492875 15.89118651 15.62783296 15.90672719 0 172 0 169 [280][M]- 809 57.0280236 26.50172243 0 1 1 0.381830538 0.152946372 1 1500.857833 573.0733534 0.381830538 1466.967404 224.3673422 0.152946372 0.400560869 0.988353312 1.75E-19 1009.148703 2124.135478 1114.986775 0.006952268 0.00706971 0.861253097 0.00630681 0.860184011 0.765470316 0.078631834 0.280532147 0.070626021 0.270068283 0.765470316 1164.799205 2212.458096 1476.028509 1367.00096 687.9466591 1735.767661 1325.707222 1927.228269 918.4100912 799.1700908 1026.8405 1000.346414 1168.491251 375.2803033 888.635376 1770.372347 1257.080256 1203.853649 1571.487451 2230.869055 1035.780553 1799.651317 1212.094187 1033.770785 1698.414123 1611.108646 1237.127783 1885.745691 1347.281022 704.6074654 1482.560969 1356.740569 893.0293206 1029.443339 1083.89337 1226.748937 1488.77731 1327.079411 1885.799047 1437.914459 1927.197814 1175.536216 2027.766741 1135.196572 1982.01728 1005.695032 1152.070553 1000.015932 1282.17385 571.7122454 1383.505055 1325.372776 873.4276916 1445.795025 1035.391629 1344.138751 750.3066388 1788.022414 2420.292635 1727.050321 1423.140903 1676.999057 1469.348438 1068.236866 1502.238607 1370.690403 2405.648493 1289.360996 1563.254087 1233.046166 915.3619594 812.8324889 1253.636414 3311.530474 1110.870686 744.6137483 1085.729013 2938.248767 1822.885883 1617.874465 1406.106474 627.2153205 853.3627103 1791.728092 2356.66577 1782.821165 1308.07207 1637.111033 1073.176656 439.7863361 1638.050334 699.5842244 804.9208895 974.7264389 2136.722343 1339.357702 1085.158544 919.1930207 1667.90382 1408.514162 1017.677135 702.1635187 1170.853673 1097.729806 1804.854622 1659.022491 1273.373611 1622.734953 1397.28582 1645.928342 1422.389194 2262.760405 2304.136519 1553.7282 931.0680489 636.0539024 1092.488652 585.6567115 977.0064665 1136.349551 1107.739458 2017.859163 1292.794835 No_result_found_in_bank_inhouse +M555T880 M555.3054T14.67 555.3054183 555.3028267 555.3099118 14.66917593 14.6492868 14.67936557 0 143 0 143 [277][M+3]- 20 Inf 49.55681918 0 1 1 0.323191754 0.164812554 1 597.9897313 193.2653499 0.323191754 600.6071709 98.9876016 0.164812554 0.509952843 0.972137549 2.38E-15 390.8722218 841.5606902 450.6884684 0.013518292 0.01338968 0.828852751 0.013677833 0.82588821 0.897437208 0.071232501 0.465564211 0.070626021 0.46433343 0.897437208 454.6729787 529.6625506 738.9032895 819.9732968 475.8553154 646.5578639 868.0169586 887.5929841 508.9754948 389.5543174 535.4193761 448.4412504 406.676417 324.0679194 525.8341758 745.2024881 767.517873 577.0754654 1022.461609 929.070141 672.7469392 908.9446505 709.0058027 372.9301597 295.7400937 566.6701819 628.1958972 462.8554212 571.8599944 319.7570452 621.4039621 676.3046058 454.4052018 548.1239009 519.8584674 352.8331768 620.2315708 683.7028533 515.5144177 651.4756248 465.5170954 589.7666413 644.906341 707.7767416 642.1942089 861.3183466 537.0325811 356.1146581 525.356362 322.5463358 319.8061833 579.2319009 354.922541 759.6639402 334.0651118 562.6951767 413.908191 426.2743819 594.3534322 633.746969 514.4533141 605.2788541 716.2077048 361.2942412 640.4808845 579.4515976 954.5762866 447.3053016 803.8180809 803.1475748 526.7333134 500.3822472 855.2911198 620.907836 664.7177747 608.9980973 694.970264 678.0271878 842.9742034 337.1818815 816.4927478 608.6318014 621.9562318 640.509616 679.0872194 758.6610456 889.4499215 802.5757842 552.1993439 319.2910232 348.4751574 525.6625103 405.1321184 401.5194316 601.646232 587.4140269 500.2702134 458.655201 618.6714101 578.2463089 244.0447009 690.02965 561.9652125 570.6022363 466.3540023 675.3817548 489.0996186 782.5587646 397.0626935 608.8965503 777.0658103 747.4694986 761.4775672 636.8257716 580.9093181 400.3635723 509.6965765 474.4110912 217.2172779 423.5542433 745.3270211 1152.651837 605.6537021 No_result_found_in_bank_inhouse +M555T953 M555.3497T15.89 555.3497486 555.3424552 555.3526559 15.8909401 15.74907011 15.93295757 0 94 0 94 [280][M+1]- 809 56.14654867 24.55460781 0 1 1 0.385395394 0.228641503 1 458.7909638 176.8159245 0.385395394 469.0881799 107.2530266 0.228641503 0.593264752 0.889462613 6.17E-09 195.7059702 726.749214 531.0432439 0.019628983 0.020704839 0.932203586 0.019247846 0.931766748 0.858532218 0.297769034 0.25998148 0.28519541 0.251805925 0.858532218 403.8482772 307.1142977 512.7256529 465.8155434 89.27245684 401.3110497 172.7327758 450.0498277 317.3684661 233.7773261 182.3810691 282.5118165 341.2639086 188.8129548 236.0579459 267.6771577 393.8753085 385.4046157 488.8266825 801.6552766 322.6625861 342.7680384 318.1923176 388.4320276 611.9290252 494.1217359 769.5861069 599.3371207 456.2856844 131.8032109 351.5453889 414.7119203 275.1224079 329.2697524 344.2428043 470.645944 509.0001199 462.3016253 489.8128373 478.3042608 346.8864954 325.8497904 594.3601053 343.4286333 625.4794168 517.7037989 345.7167205 617.5213642 314.0342218 139.9610645 330.4388517 291.7483427 439.8206992 676.4127704 369.7035676 432.8329489 229.031903 490.3294412 552.6822768 436.0496501 315.0611281 379.0077934 519.8000641 504.2669824 464.7229089 305.6972701 612.868642 368.4360914 537.3667678 413.9535567 267.3572824 148.0706912 429.528541 1086.216026 428.02382 383.6604012 512.9214575 974.1827426 629.1795501 387.7477829 507.0496572 257.537595 318.5394812 278.8856159 718.9830318 478.7901418 300.4164241 534.1158363 215.3950776 236.9382571 472.1620284 275.6423927 329.1717714 495.3071949 534.5841436 366.4911615 454.0512041 431.4895578 314.819305 400.3580534 360.6139016 182.9858479 413.8024097 364.8071038 482.357384 600.9235266 385.6365484 312.4232083 344.1259528 578.8629068 586.9953441 657.6841629 729.7863559 635.6075024 305.6164769 153.8549898 323.7810552 105.478213 259.0411446 513.2234167 340.5062802 343.174401 354.0826913 No_result_found_in_bank_inhouse +M556T880 M556.2998T14.67 556.2997851 556.2952128 556.3038023 14.66909473 14.65110848 14.68713999 0 169 0 169 [277][M+4]- 20 Inf 49.99143957 0 1 1 0.314135183 0.186727108 1 706.8119432 222.0344991 0.314135183 707.2005135 132.0535067 0.186727108 0.594416411 0.979672575 7.68E-17 425.8464239 1114.931441 689.0850167 0.001068231 0.001045504 0.828852751 0.000997038 0.82588821 0.895228214 0.018567114 0.158842223 0.018523316 0.151362868 0.895228214 502.4822689 737.3363658 814.8976827 1075.473199 566.942099 762.9012806 1110.732515 912.2803744 784.8803863 613.8191112 537.8535175 511.6889972 662.5457002 391.0253893 541.5754524 743.8994101 861.2207275 798.6507088 943.7273909 991.9332797 841.3643821 780.1688342 610.13287 660.3177371 421.9216029 556.7929036 698.2371068 513.3721818 551.2889303 431.2964432 600.3526318 853.9139149 357.2244344 639.7569973 875.5576697 341.7277869 555.1805721 658.1842709 740.8842488 675.6386828 416.324192 505.7452324 702.9291054 437.8264037 778.662343 1035.312657 653.2529251 354.1807857 609.99562 407.4315858 548.2938789 876.0043041 399.5787037 808.4287471 454.7979516 548.5362993 482.0803717 650.4260572 704.9326668 748.7639886 523.7196262 331.6057773 874.6068325 564.8443792 1104.434561 1050.989091 1224.570236 603.2373403 813.9639479 785.3796945 726.4734736 615.9553 834.3655848 905.6643401 465.2220226 668.0963365 766.6951693 804.1003912 1061.651119 425.0768279 1300.997493 731.4021377 1105.523623 683.487931 690.6283937 953.4019777 741.5068096 870.6528068 835.6679722 369.8759355 560.916715 505.4662979 633.9662251 908.6716208 928.0732873 839.6123989 539.8421218 660.6924648 528.4719014 808.8963197 452.6214943 1057.871495 362.7374287 470.2386413 528.6672502 1060.256072 934.7555741 856.2774608 660.8851218 769.9968025 828.4194745 989.6804473 826.5123399 703.5493201 573.5254541 431.5687209 721.66986 490.7399417 354.2031261 566.5983764 865.8261883 855.5047929 790.2456434 No_result_found_in_bank_inhouse +M556T933 M556.3176T15.55 556.3175871 556.3155902 556.3194741 15.54825968 15.53683767 15.56187304 0 71 0 71 [M+Cl]- 521.348 30 145.169469 39.4875014 0 1 1 0.420477646 0.144098923 1 1040.714812 437.5973149 0.420477646 970.6361854 139.8676289 0.144098923 0.342702934 0.962737526 5.58E-14 617.2107125 1290.555377 673.3446646 0.013106231 0.013345387 0.863706624 0.013677833 0.863226859 0.94309074 0.106612346 0.366916266 0.110982018 0.376090613 0.94309074 657.152357 1347.211547 846.776388 974.4412215 1439.889339 581.9841067 738.4826909 1996.593405 751.8126703 665.0029982 790.874409 643.7764063 572.8848006 498.3471308 719.4085243 1623.067582 533.5311228 896.409195 1136.133713 1502.230841 1419.154669 2220.164372 1304.902778 606.049742 1425.13101 663.078735 958.635886 1130.916713 1003.684529 270.0595783 808.1715723 2090.216319 542.245353 1036.493466 683.151409 937.4946186 610.6348697 690.9019952 1399.439384 1334.7843 918.0086622 831.6331039 596.4191961 735.0020246 754.7264919 1418.319742 1157.524477 667.4807245 2070.351492 674.4509302 1293.939658 1084.018868 648.5810454 1412.281808 558.5811584 720.5364428 592.2601668 786.3287014 1130.868672 1322.199742 688.0296827 923.7949678 1394.868044 806.926522 2270.690275 1260.760085 1060.58832 700.152954 1067.53026 1314.692311 541.6881046 773.0241422 974.1508641 667.381979 645.1387677 1153.779999 1523.645894 1052.667441 1797.3514 624.972912 996.0521075 1035.450746 1414.154692 1107.375007 1460.866975 819.8129673 1758.741327 945.7075365 1149.476203 548.7219345 829.662543 1854.117387 587.0162377 864.6152221 1167.969111 1412.970349 1395.677927 1094.849993 520.3554257 634.9885621 303.3041252 1482.220039 938.574019 497.5702682 840.6275486 1819.666756 725.8796493 1438.833946 1558.477488 893.3283797 1585.238986 2100.091665 996.1377069 1031.316976 1483.246331 654.7908435 641.6531365 1146.449418 397.4309584 726.9872829 1125.827963 1524.368912 1626.573817 No_result_found_in_bank_inhouse +M557T910 M557.321T15.17 557.3210008 557.3184433 557.3226724 15.16712658 14.89969967 15.1805741 0 209 0 207 [281][M]- [M-H-CH3]- 573.348 7 Inf 86.55901201 0 1 1 0.118208902 0.060231796 1 5653.789525 668.328252 0.118208902 5660.978886 340.9709271 0.060231796 0.50953689 0.972248027 2.28E-15 4872.903795 6798.22709 1925.323295 0.166789211 0.159640074 0.745030178 0.158401013 0.72890136 0.895228214 0.094758366 0.7427424 0.094557945 0.742317567 0.895228214 5059.930674 5288.684846 5952.397785 6164.600567 5990.414633 5041.011439 4443.507812 6163.807453 5159.00379 5251.554961 4477.398195 6164.766652 5098.732601 4850.821178 5294.406125 4769.375938 5160.907456 5180.962392 5891.774644 6182.613536 5381.928146 5727.534595 6363.855388 5124.139209 5502.130263 5671.335162 5974.118928 5614.16951 5215.486706 4318.56079 5869.485723 6540.892285 4952.710439 5492.513064 5814.570926 5504.250135 5445.487397 5142.052287 6580.756279 6014.949609 6322.240024 5968.621603 5172.014123 5543.843111 5849.150151 5513.366789 5866.077191 6130.303241 6280.511065 4914.034263 6150.957375 5777.907343 5985.327973 6262.913983 5044.174034 6494.153508 5625.58955 5392.361065 5312.318382 6991.123993 5161.227094 282.8298226 5326.530299 5944.069629 6125.739119 5446.853007 6654.135423 5605.164657 5762.347037 5579.502327 4744.588593 5732.259082 6241.606617 5907.529361 5942.124838 5433.959981 6109.34177 6135.488146 5378.229314 5626.222387 5869.307213 5525.114238 5962.518904 5827.495569 6591.014539 5879.398862 6118.811748 5612.614627 4767.66904 5256.408924 5742.466869 5544.372757 4484.293981 6170.264145 6648.713689 5406.098454 5326.791552 5522.024389 5586.635501 5776.391149 5428.405499 6595.057427 5100.128729 6015.604385 5933.401705 6087.654874 5598.603934 5811.003683 6153.844018 5704.402765 5859.430353 6666.401881 6674.668028 6665.090427 5435.321941 6221.363885 5251.304277 5214.113567 5783.323317 5392.013726 6052.208931 6270.221349 5667.115009 No_result_found_in_bank_inhouse +M558T910 M558.3243T15.17 558.3243404 558.322272 558.3263225 15.16806215 15.15148926 15.18040059 0 169 0 169 [281][M+1]- 7 Inf 80.62433716 0 1 1 0.138894366 0.100167852 1 1681.569791 233.5605694 0.138894366 1640.724811 164.3478805 0.100167852 0.721180099 0.959509735 1.37E-13 1300.311712 2026.222038 725.9103253 0.376747623 0.377507193 0.907981747 0.368999343 0.905542086 0.828457199 0.7852282 0.560203897 0.778449673 0.559144944 0.828457199 1485.88851 1430.938122 1794.576355 1774.286076 1804.08751 1541.352036 1562.721479 1877.710332 1668.071123 1543.631926 1326.486394 1958.225254 1533.716971 1628.602021 1638.209272 1558.919328 1475.763968 1437.777002 1543.634203 1516.929592 1765.250555 1607.310214 1979.23458 1518.599971 1759.005762 1570.181322 1855.433692 1792.360394 1395.853864 1358.041554 1637.638468 2094.251723 1149.026056 1499.954187 1518.882147 1854.587821 1608.762437 1403.852834 1933.707719 1631.092804 1682.179146 2058.233877 1479.702758 1533.383098 1805.82729 1782.436514 1795.686889 1779.187166 2125.549445 1603.887032 1514.383786 1515.457105 2001.750427 2144.515149 1425.266273 1662.696998 1234.898868 1641.891812 1828.015036 1927.048039 1455.757985 1568.71876 1600.01409 2141.288849 2036.863103 1716.97547 2112.475371 1400.578815 2001.606592 2008.014956 1249.424617 1516.298656 1597.9898 1688.86619 1422.536442 1534.887926 1892.308613 2112.632948 1802.578034 1481.947445 2186.261968 1365.235656 1781.510469 1876.938458 1651.334374 1813.122832 1721.122743 1903.969579 1443.082784 1465.578701 1754.714511 2088.157996 1373.806746 2132.364481 1912.191101 1449.815956 1647.863178 2035.278329 1187.638724 1657.196574 1770.283437 1759.442044 1688.247898 1512.271795 1835.66294 1774.485015 1847.56314 1849.414113 1615.137176 1556.57063 1848.918167 1754.996205 1489.958468 1694.764446 1753.399609 1637.388932 1960.080441 1426.864608 1785.002061 1403.445711 1661.500751 1968.427992 1673.876771 No_result_found_in_bank_inhouse +M558T999 M558.3332T16.65 558.3331704 558.3299604 558.3373169 16.64781417 16.63175773 16.67529753 0 103 0 103 [282][M]- [M+Cl]- 523.364 39 65.69047129 47.6574022 0 1 1 0.282082698 0.131499279 1 989.1869534 279.0325242 0.282082698 938.2539445 123.3797174 0.131499279 0.466172794 0.951331391 9.98E-13 627.4268036 1237.526696 610.0998924 0.016576929 0.017482558 0.963588287 0.016934429 0.961925493 0.896146494 0.549782369 0.095600295 0.553480231 0.095954132 0.896146494 914.164943 1047.996891 851.4890915 1254.863047 666.4850534 548.2076174 1038.635917 1170.25449 1071.017895 687.1779572 1124.240188 720.0801629 779.3338403 644.0187918 598.4247978 805.4366273 545.7492477 1038.662702 1105.929827 1253.735549 808.1418692 1723.613261 903.0177312 956.4365191 902.6120291 999.4895343 1504.862059 1278.194565 751.1997665 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807.8992318 949.28805 781.4774477 1078.50151 818.8283361 578.9946269 599.2789493 851.1345381 685.3852031 1420.781439 868.4808445 No_result_found_in_bank_inhouse +M559T910 M559.3268T15.17 559.3267725 559.3236155 559.3300845 15.16753234 15.14613642 15.1823844 0 154 0 154 [281][M+2]- 7 Inf 66.6236634 0 1 1 0.207737457 0.166568888 1 388.3593876 80.67679176 0.207737457 386.8524911 64.43758909 0.166568888 0.801824041 0.918873106 2.36E-10 236.4093447 517.6632224 281.2538777 0.621048001 0.606803984 0.715391897 0.60874154 0.695696123 0.897437208 0.133213865 0.732873798 0.136037499 0.735029819 0.897437208 416.9777927 335.7190812 573.8967595 593.0027756 433.134138 375.9130119 444.4639873 428.0437553 354.1808589 304.9532757 415.2348138 342.3263916 520.7014138 298.7128324 317.3142388 478.0234412 381.0346905 313.5272726 347.0391807 352.8865279 291.0345468 432.2946008 405.4319341 429.2919374 396.0314708 373.0993065 427.4971909 485.4484047 349.882813 274.9377816 420.8075786 393.0719794 424.4062268 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522.786251 374.4009278 342.9218588 314.6316471 511.471569 277.264307 No_result_found_in_bank_inhouse +M559T999 M559.3364T16.65 559.3364249 559.3332672 559.3402427 16.64934044 16.6304082 16.66744302 0 96 0 96 [282][M+1]- 39 14.6503042 25.59951437 2.09E-10 1 1 0.323229875 0.209488776 1 344.7088901 111.4202115 0.323229875 316.348014 66.27135818 0.209488776 0.648110809 0.874405161 2.34E-08 190.1586468 461.6649644 271.5063176 0.205131413 0.206368337 0.907981747 0.207219193 0.905542086 0.895228214 0.458279118 0.659998058 0.457006051 0.659018736 0.895228214 160.3057164 418.266558 273.676586 382.7499969 238.7820858 166.6318828 211.6556388 427.7947464 267.8954704 215.5260589 204.9526129 407.0993401 457.9710948 216.3517445 184.6186632 334.6220727 270.5879516 391.6602222 358.7444525 441.6020336 406.0973254 551.5469075 179.4884795 211.997545 286.5124912 357.9489361 462.679704 433.3265235 372.8564637 164.2130427 404.0352187 353.6665994 163.4996651 177.3016296 330.2869351 484.3118662 494.7427638 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369.5500279 556.068838 246.9890993 No_result_found_in_bank_inhouse +M559T1130 M559.3981T18.84 559.3980792 559.3944096 559.4018515 18.83796982 18.58709388 18.91057411 0 221 0 219 [M-2H+Na]- 538.423 95 7.07470673 20.30432519 1.41E-11 1 1 0.485397109 0.213750189 1 362.7951402 176.0997123 0.485397109 347.7953907 74.34133046 0.213750189 0.440361479 0.960849005 9.52E-14 222.4765249 544.7577748 322.28125 0.186738714 0.17287629 0.715391897 0.174858126 0.695696123 0.913150866 0.049341297 0.989714906 0.051627842 0.98888698 0.913150866 342.6623247 275.5175515 238.6117876 290.9585704 395.9402552 126.2323434 334.6959334 183.0314259 332.9523115 197.7489138 311.6896084 517.0391974 496.7449802 331.921465 732.3927311 398.251649 231.7631131 162.9495575 519.0689059 239.1978527 126.2512865 353.9280736 329.3065157 326.5245697 163.1347226 150.1715917 195.4005375 244.2901824 322.0742459 436.85369 223.7451032 303.0599097 430.386396 290.1290752 345.1218471 645.4319651 584.0051829 282.4180982 331.6308922 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170.0677865 No_result_found_in_bank_inhouse +M560T999 M560.3313T16.65 560.331323 560.3274943 560.3352668 16.65137223 16.63513772 16.66656064 0 110 0 110 [282][M+2]- 39 Inf 50.81891037 0 0 1 0.34108834 0.196290397 1 370.1285539 126.246534 0.34108834 347.9919515 68.30747823 0.196290397 0.575482577 0.929507759 5.30E-11 221.4196052 614.9520783 393.5324731 0.054221066 0.054914786 0.858784823 0.055942126 0.860184011 0.952708893 0.652352267 0.123572092 0.651827007 0.125646757 0.952708893 274.0234444 436.4972154 555.7503591 441.2988 210.5467095 172.7778344 340.8810553 482.600212 398.9106451 302.1183616 351.8906279 265.6007114 347.7784493 190.7902384 209.3226321 431.2426671 283.9279062 338.4384582 592.0667192 496.323588 439.0978085 440.1983042 230.003614 430.2938424 288.3298893 381.8720289 415.505565 475.4141686 399.028509 180.8251029 357.6611222 522.7933303 158.4123797 221.1996479 386.274012 580.1666192 326.5121521 291.6561727 294.9328638 382.9725247 400.513622 304.6393649 435.7963212 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564.3333758 14.66850689 14.44230605 14.8964259 0 292 0 261 [288][M]- 20 39054.20216 41.56112169 0 1 1 0.417172375 0.090365455 1 314113.6362 131039.5316 0.417172375 294507.5166 26613.30586 0.090365455 0.216614188 0.984530809 3.89E-18 246580.5933 346772.4029 100191.8096 9.14E-05 8.51E-05 0.787240672 8.46E-05 0.793198186 0.895228214 0.005336933 0.064127356 0.004947546 0.061313842 0.895228214 247524.3971 347016.5752 431437.8154 606882.6506 176155.0627 254068.0218 433852.836 523996.7149 369586.5888 219160.9788 218351.0104 143776.2741 236910.2002 165840.9643 220629.6295 381396.7326 309626.6171 462165.3532 551625.1504 601399.4974 447971.368 401258.6633 371010.7282 225178.3151 168802.7159 277588.5004 271779.0246 281571.2897 258344.3447 172260.7301 243769.9066 449480.0216 164473.539 243592.5898 348505.8986 183697.4184 219845.0767 271249.2621 395786.2775 238920.4325 230372.1615 290880.9128 353381.8518 205300.8155 325110.9234 600153.572 283834.3141 95177.91912 314561.4348 123561.5478 206903.7693 304083.1352 109454.7259 419901.7113 144830.0987 253149.4115 184076.7044 241104.0811 289702.315 282778.5072 266046.37 242776.0056 575236.9591 158155.2508 464153.3082 421147.169 585461.219 274599.086 310851.3947 416039.4371 260958.5352 310793.6939 395765.3881 395160.1996 199314.7928 335763.0725 390117.8079 406853.2878 557357.6239 137122.3005 453963.8839 346104.5921 313457.6462 347375.092 373305.299 449032.5392 409514.7283 410995.441 347118.7618 124562.7806 270590.4988 243639.3899 165937.1852 345913.409 299216.577 441269.801 197288.0099 242505.1166 215821.5965 277249.0145 172295.1997 616223.4405 180871.4196 215425.697 236589.6623 524915.3264 358293.3714 401655.1377 321300.1159 234581.8729 270091.7136 395000.1723 350902.2006 337826.2237 247801.9534 137682.2131 278016.6831 168013.0014 93673.96235 172968.521 331107.2763 455896.5579 379540.3038 No_result_found_in_bank_inhouse +M565T880 M565.3341T14.67 565.334148 565.3305011 565.3371864 14.66727436 14.4452613 14.89465297 0 121 0 120 [288][M+1]- 20 Inf 39.97226595 0 1 1 0.440606716 0.088071945 1 92646.2726 40820.56992 0.440606716 88171.56327 7765.44105 0.088071945 0.199887885 0.983887885 6.08E-18 74191.36661 103289.0794 29097.71282 4.61E-05 4.04E-05 0.795261023 4.08E-05 0.799360927 0.896146494 0.005336933 0.050187272 0.00539139 0.046960903 0.896146494 75182.68892 103782.841 129944.7914 182952.1248 54411.84475 75829.31865 129211.88 153453.7503 109665.9473 65328.22141 63108.36784 39906.04366 71621.48128 47961.00047 65078.19569 115394.7462 95501.84948 144924.5651 159636.9756 181659.0887 133873.5599 120517.9202 112126.9994 68823.76259 51332.68168 82047.6048 80709.64971 81792.29954 76226.23505 49597.03971 72155.05491 132238.5442 49507.51486 72010.25972 104344.9908 55791.66075 65825.40699 282.420516 117135.2611 75813.88287 67201.56901 88579.11592 105482.3118 60138.81631 101852.9925 180042.7685 603.5974406 30269.79177 95243.83205 38469.81508 63370.10042 90574.88693 32595.26153 120453.1472 40139.85332 75250.7538 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357.0410348 0.269093969 0.927466886 0.908830692 8.13E-10 453.7481922 2215.779816 1762.031623 0.534639033 0.532876213 0.828852751 0.532600412 0.82588821 0.896173123 0.496719859 0.993331005 0.491323421 0.993591413 0.896173123 1700.814939 935.3012181 1571.923156 1084.028407 863.0817569 1150.624009 636.9519688 1691.829672 1529.631866 1991.362847 921.094111 1220.627286 1405.319678 767.1837839 1439.65352 934.1172925 830.0414117 1640.920871 2069.532316 1358.181111 2011.452942 1158.957734 1234.597356 1945.878438 1208.218725 1809.865387 1044.222373 2625.115661 827.5639892 2131.066066 2174.10945 1701.301076 1683.542193 1958.494774 2092.376485 1502.401577 1518.976535 1070.268736 900.4725604 1105.267731 1279.823565 1073.820512 1484.900818 1394.664348 1273.970352 1170.902411 1784.374096 1121.177536 1952.293302 1262.364973 1408.318394 1777.2714 1453.027777 1215.891583 1257.328979 1635.974192 1367.434059 2262.481807 1848.10785 1940.454046 1530.815791 1101.504288 1688.277895 1604.219178 1194.580923 1143.672122 977.7054243 2017.965464 1760.497356 2210.03046 1359.297152 1624.345913 1481.090916 1868.168082 1850.669163 1786.999161 1237.634345 1156.81161 1476.355214 750.6088256 1587.64422 1830.348966 1614.241268 979.106465 2067.835223 1883.625618 1000.417126 982.6582418 1186.293444 1171.75148 1300.353648 681.9411413 1128.943937 1930.982641 896.2316735 2152.3089 2612.380592 2179.607016 950.6922508 700.8839508 970.5263327 1234.583268 1584.985184 1538.175429 1979.336381 1648.024425 1591.078231 1162.614932 2031.616317 1576.392579 1227.730839 1800.15604 1823.245412 1484.642693 889.12812 1402.798736 2101.467927 1644.472648 1452.561907 1349.673326 736.4017185 995.6814233 2077.789415 No_result_found_in_bank_inhouse +M567T880 M567.3395T14.67 567.3395058 567.337479 567.342499 14.66766501 14.64930687 14.68008865 0 156 0 156 [290][M]- [M+Cl]- 532.363 [M-2H+Na]- 546.355 [M-H]- 568.343 20 Inf 41.57643165 0 1 1 0.413434611 0.127274918 1 3034.987779 1254.768991 0.413434611 2821.698565 359.1314525 0.127274918 0.307847757 0.978377335 1.51E-16 1960.406135 3808.912688 1848.506554 0.000298379 0.000294933 0.828852751 0.000309704 0.82588821 0.896173123 0.017110279 0.078938789 0.016877256 0.077074533 0.896173123 2346.602967 3390.869228 3803.321861 5826.846533 1740.789138 2510.652506 3480.324011 5162.086317 3433.519384 2141.542197 2220.841011 1359.212859 2140.913273 1794.653792 2578.665 3448.580256 2835.463763 4247.794982 5450.788875 5813.380001 4193.667412 3515.211114 3622.83009 2238.768264 1543.560755 2629.647314 2668.879568 2718.50535 2794.183379 1557.756686 2268.027358 4127.995799 1622.980215 2534.333148 3935.308145 1554.194498 2541.903807 2590.420537 3933.57634 2638.784818 2013.198659 3025.431919 3802.436334 1765.317373 3383.539964 5391.908989 2518.134475 974.0869461 3003.694061 1439.71633 1912.265541 2729.801022 1103.408036 3689.362129 1487.695261 2390.516054 2258.457163 2508.597242 3157.527177 3128.915748 2317.244229 2019.609635 5591.028856 1502.162828 4575.907443 4132.666029 5266.131023 2668.430658 2607.507307 4133.14088 2316.829757 2721.163678 3432.411198 3498.512241 1784.020586 3180.649298 4281.636829 3967.486407 5002.836136 1315.30492 4537.200241 3906.919431 3185.678088 2940.719994 3118.795519 4225.337898 3977.230904 4022.94003 3012.936908 1135.904369 2446.717858 2314.603632 1836.137565 2846.220644 3276.536644 4542.89087 1731.656213 2581.597907 2039.252027 3116.016192 1498.082822 5886.790976 1564.021498 1932.196556 1797.4523 5051.01827 3461.089922 3893.877189 3332.408572 1788.312555 3066.771309 3809.438126 3636.737821 3258.799344 2063.651387 1140.665851 2324.424841 1898.00602 856.5900968 1767.299104 2999.011466 4613.950445 3353.535546 No_result_found_in_bank_inhouse +M567T933 M567.3497T15.55 567.3497258 567.3474444 567.351949 15.54721709 15.53558531 15.71879474 0 306 0 259 [289][M+1]- 30 1545.287611 34.59618153 0 1 1 0.508503949 0.0838433 1 36213.4646 18414.68977 0.508503949 31983.52133 2681.60396 0.0838433 0.164882298 0.973361391 1.46E-15 27353.16955 37801.27119 10448.10163 0.037070438 0.034138976 0.748298881 0.035436807 0.735276384 0.94309074 0.039252659 0.750848029 0.04236661 0.756351704 0.94309074 21737.10981 38412.55365 38530.62053 30963.32688 58052.48452 21798.11555 35240.8607 65306.04685 19339.39439 16076.33491 19977.78238 21532.37918 14952.13686 10422.40142 14760.42901 47688.545 11805.41222 36610.07939 55539.10397 67404.5208 55996.88344 74052.66817 50784.25484 18560.35709 50033.32361 24751.94799 38740.93489 47654.0157 26816.63447 8384.043327 24134.14741 58988.28268 12687.67167 28761.30381 28139.67001 23580.22678 17367.96776 32302.61079 46991.87097 60717.2007 32762.31489 24036.72301 26144.23809 15518.75342 30382.04014 55755.23004 44804.62682 16113.6456 67719.78575 24353.73972 35444.94993 32389.04615 16839.30476 55480.2121 13850.44398 22018.81179 17948.95157 19648.95234 34832.43437 49355.26973 37572.34974 38433.7866 41879.10238 26340.98288 76359.20112 40754.87733 49486.05753 27955.61949 32993.99521 36460.48829 20006.10991 23583.13832 30307.1091 31079.40276 20536.49165 25102.71074 59612.80097 40238.84618 58708.04412 22019.77421 31919.83536 45295.40856 49800.25132 32593.86212 37805.68049 22637.30419 69724.27028 29271.44747 32072.98453 16666.86716 35196.74653 65153.19283 15339.04026 25039.51306 38232.18782 46518.00731 54817.77847 32955.90616 20624.53715 28316.87669 13830.86888 60881.3878 29989.54654 11947.92295 23844.99672 85838.12718 20578.7545 51216.06174 41383.15138 27881.74022 47843.76906 62796.76915 30415.76827 55618.59181 45682.58596 21634.80768 17238.22678 44594.1509 12316.12302 19584.6442 44711.99205 81577.66647 58417.81308 No_result_found_in_bank_inhouse +M568T879 M568.2659T14.65 568.2658543 568.2616758 568.2699295 14.6540211 14.63185497 14.67076636 0 95 0 95 [M+Cl]- 533.302 20 Inf 45.8066126 0 1 1 0.373278196 0.213755577 1 487.1615317 181.8467775 0.373278196 432.8114368 92.51585826 0.213755577 0.572644154 0.973335916 1.48E-15 258.4039494 678.6410762 420.2371268 0.020928489 0.022153811 0.917465563 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0.123572092 0.016877256 0.113039029 0.765470316 450.3787062 452.5743471 715.5074672 902.7653164 289.2423566 348.8889649 463.9001274 633.96778 580.4582315 401.7331779 250.0932332 478.5574931 342.3034313 472.5500001 374.6000654 484.7188367 423.623858 705.8477391 714.6170573 709.0636348 479.7241229 606.4219288 692.7952913 322.1086351 321.5757257 258.0112873 479.5794362 614.9119913 497.5411834 221.9210529 424.7646676 515.7543607 321.2383157 402.1287605 566.9962325 315.8347614 411.176485 371.0721113 667.5135394 452.0362916 511.3021307 319.4584158 402.104638 416.2824597 591.64051 547.0854266 394.3236285 245.7681635 483.2623343 271.4723194 419.3203034 437.8687693 231.0027269 560.0990805 331.9683015 284.1475268 448.1089334 474.6189362 481.2367911 595.2698307 569.4298008 447.0169018 1078.307241 285.3944087 669.9688485 552.5443143 689.2575713 452.7941039 576.8478536 491.6571534 393.579258 604.0182669 646.3823971 620.0684058 276.7076955 335.6868403 514.3487709 660.8846785 830.2129739 273.7604689 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103915.1131 149782.7367 115801.323 109896.0292 119623.9991 81290.68157 54267.56694 133407.5581 80982.38003 32146.87014 85266.96038 103184.6911 69628.6966 61610.915 95769.06678 51225.68921 65228.5454 77321.52867 66991.43586 72333.0851 83801.57538 80970.43932 122970.4426 93757.7715 131973.9835 143805.1047 101588.1744 96176.17393 148215.9421 128686.7678 117098.8602 93970.33865 86323.02515 79358.05376 50489.02772 69116.54458 54976.2747 70820.51804 139569.0004 73080.35824 No_result_found_in_bank_inhouse +M569T933 M569.3552T15.55 569.3551765 569.3517451 569.3572302 15.54750165 15.5348882 15.56231978 0 82 0 82 [2M-2H+Na]- 274.186 30 60.47873529 32.88796136 0 1 1 0.492768061 0.14829037 1 1192.260221 587.5077575 0.492768061 1046.770234 155.2259449 0.14829037 0.300933403 0.968542334 8.89E-15 616.590646 1399.834102 783.2434559 0.038416443 0.037485488 0.828852751 0.038833318 0.82588821 0.926511606 0.107856222 0.595091994 0.110982018 0.599350849 0.926511606 624.6512635 1112.666594 1303.62643 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1021.819131 989.8391071 708.6577969 1081.594109 2215.417468 526.1060305 774.0754966 1682.203732 1370.253967 1533.71065 902.780522 500.6981661 1107.416719 491.874966 1688.69227 923.7353633 278.5748777 805.1072495 2572.952794 655.3228714 1770.682207 1333.118736 1178.038425 1812.383092 1772.336116 1013.442418 1588.511685 1611.200021 462.0299191 651.8520131 1306.125527 524.3949208 488.3258078 1412.790654 2881.249819 1573.932306 No_result_found_in_bank_inhouse +M569T999 M569.3654T16.65 569.3654165 569.3608069 569.3674541 16.6486382 16.36454877 16.75162423 0 265 0 264 [291][M+1]- 39 1224.972395 44.51966066 0 1 1 0.379325333 0.058118847 1 29497.73537 11189.23828 0.379325333 27529.87493 1600.004584 0.058118847 0.15321636 0.97759333 2.22E-16 24235.41198 31931.3132 7695.901222 0.01304187 0.01304595 0.903553864 0.012871377 0.904127599 0.896173123 0.724449796 0.050187272 0.724842484 0.04893584 0.896173123 21038.14682 29270.17335 30759.96825 47203.22022 16186.01857 18650.82007 21891.31518 33325.70899 33882.61603 19114.61515 25435.1508 21063.79098 164.227569 17057.24621 13424.32189 26819.91758 19619.92763 29735.93763 38485.07934 43141.36766 19440.07123 49034.26644 23224.48191 21191.91259 26407.93814 28800.96379 34091.30587 29680.17514 19013.57596 16010.41732 41521.16263 40511.55518 16531.45225 20825.1287 23424.3757 39374.70856 28991.82099 28744.56137 39353.98078 28930.24102 37701.53578 37012.8052 31649.95381 32661.12785 41902.56903 34917.80532 25683.48337 31769.20421 39462.36542 16233.49897 27493.60785 32103.89655 19913.46546 39294.76358 23553.57066 23000.47359 10008.96279 33305.60095 50950.68317 46945.91246 23727.04858 46093.14684 29199.27462 39805.38114 40395.85612 28753.51163 47788.74561 17898.3743 33515.3165 26789.11515 12151.06237 20985.19565 31473.20494 41847.13719 15304.14357 22898.86275 25177.50813 64189.07802 47372.81864 23087.92765 47633.0548 22702.25989 31448.73499 31713.09633 44750.58684 34613.85249 33568.04242 37164.98709 25504.17246 17321.85017 40436.87741 25126.28997 10124.71798 25738.96951 31991.00834 21472.18746 19066.18438 29497.49529 16262.44534 19703.89519 22468.98715 20271.02149 20976.75558 25920.97776 24145.37689 38947.60481 28066.93954 40612.64412 44065.31611 29196.86061 28227.39623 42466.82264 39941.78319 33234.9787 27872.10126 25828.50637 24672.1 16372.22132 18422.52441 16311.54902 22658.54873 40262.73105 21414.06679 No_result_found_in_bank_inhouse +M570T910 M570.3412T15.17 570.3411822 570.3357191 570.3445317 15.16806215 15.1486717 15.18359053 0 125 0 125 [M-H-CH2]- 585.364 7 Inf 69.18303543 0 1 1 0.227404007 0.186180613 1 285.2491734 64.86680513 0.227404007 287.5446683 53.53524265 0.186180613 0.818721778 0.841704495 2.54E-07 163.0984764 417.4539049 254.3554285 0.975939116 0.975977533 0.797864997 0.975955476 0.799360927 0.855709492 0.658555572 0.584402707 0.651827007 0.578321875 0.855709492 239.3000276 239.8513781 232.437752 257.1762353 213.6734816 223.6695347 319.6499722 195.2312884 203.1620644 293.034651 311.989729 213.8279698 265.1194948 260.7735065 195.741537 251.2268912 380.5028215 319.7742589 441.1808173 376.7566563 435.3320202 294.4056779 207.4158533 194.332561 363.6359321 329.7328598 184.0057108 230.0437101 254.9304208 279.1596258 335.1447957 240.7228435 238.9963511 290.2891696 546.7487699 279.0800841 256.2470703 329.5357501 195.6557763 434.6678941 311.1171561 281.5688226 279.3545619 292.0423332 292.5198026 228.85766 303.8060272 241.517326 286.7659982 272.9420517 383.3120113 351.1624486 417.4565421 306.9059697 268.559317 284.000403 266.0591897 252.6567784 254.618322 367.4517973 263.7456869 302.2032305 333.6134441 258.4308595 335.9374848 267.5873429 320.2350949 255.9876515 303.922317 328.2791692 273.2369094 270.031146 205.1547027 200.1795715 283.2493245 231.6490497 288.654452 198.2034419 280.2554531 363.9505425 210.1337896 315.3751541 332.1209353 344.5601352 229.0276214 425.5627024 322.2893064 231.7153699 297.42721 297.3276229 309.3030262 293.5474894 239.8269301 330.359299 150.0900673 278.2733162 312.7339977 274.827022 283.4496315 288.611479 246.7608933 219.7571778 310.4601154 315.6230461 294.0670429 387.3133035 241.5267791 203.2525695 429.1320736 292.6369764 347.1649742 322.9529587 218.5235717 468.86436 299.6029115 270.1475336 304.4870426 283.3022167 212.0954761 258.5905878 332.0440317 223.8839163 412.1126762 No_result_found_in_bank_inhouse +M570T999 M570.368T16.65 570.3680469 570.3667556 570.3713709 16.64909888 16.63453366 16.6644109 0 96 0 96 [291][M+2]- 39 880.5747555 45.42565453 0 1 1 0.367188738 0.088932133 1 6050.20543 2221.567294 0.367188738 5626.932489 500.4151075 0.088932133 0.242197333 0.976782643 3.27E-16 4536.811195 6593.137327 2056.326131 0.015010552 0.016017545 0.922633378 0.015291776 0.922791943 0.895228214 0.643592366 0.071347289 0.643109369 0.070857275 0.895228214 4326.321535 5988.355064 6596.524719 10027.75635 2654.929668 3577.158489 3497.802863 6640.467537 6399.353942 4343.854037 4911.670211 4508.349649 5564.840264 3406.832894 2959.205916 4726.092664 3772.482507 5576.344218 7180.880701 8590.71031 3673.399939 9656.526148 5299.457936 4194.731684 5868.709662 6314.423031 7062.557263 5866.893985 4160.372989 3074.690283 8411.720764 9079.965609 3147.822948 4316.038485 4614.742721 7836.115331 5856.166802 6539.075116 7502.59096 5490.194152 7287.682883 7181.324619 6685.798699 6268.087522 8475.973078 6472.131654 6204.782095 6348.655151 8395.829135 3534.791747 5663.516109 6345.969951 4734.220454 7449.086214 5110.199362 5768.113718 1810.135701 8507.606735 9043.655427 8839.120573 4179.452095 8493.862489 6107.643656 7578.937211 7730.457667 5573.200358 10515.71814 4084.374882 7415.853799 5042.889841 2291.312961 4335.303634 6284.29174 8685.060565 3919.914481 4565.108745 5671.805179 12740.41387 9668.015084 4505.379629 9286.695143 3874.898877 6261.27065 7017.486799 8551.575008 7649.075278 6387.39202 7510.649954 5097.36956 3016.627221 7712.614981 5128.405344 2064.724045 5853.589003 6237.652013 3756.553448 4351.581304 5880.624359 3480.386676 4317.693941 5246.971677 4691.238556 3604.126819 5559.25507 4811.813569 7700.101483 6201.631871 7816.463109 8567.804581 6385.090628 5938.783134 10007.88723 7284.188682 6772.728028 6197.465964 5234.962471 4455.938848 2620.966627 4270.587186 3401.422629 4546.021844 8363.843973 4345.496586 No_result_found_in_bank_inhouse +M571T999 M571.3709T16.65 571.3708628 571.3666289 571.3733312 16.64956252 16.63504375 16.66421451 0 119 0 119 [291][M+3]- 39 46.08641333 36.47218434 0 1 1 0.389794524 0.167574382 1 1010.202957 393.7715804 0.389794524 922.5711225 154.5992859 0.167574382 0.429904403 0.967979476 1.08E-14 643.1790596 1300.33175 657.1526902 0.054114281 0.054914786 0.858784823 0.052167707 0.860184011 0.895228214 0.841398649 0.081368761 0.839600233 0.077074533 0.895228214 686.8364 1057.551376 1314.308887 1253.179606 501.9189282 702.9621243 784.6635948 1091.419985 1293.632391 595.7159391 677.5652973 501.6555804 1140.000922 600.6131593 604.3765926 866.9674492 509.5978098 888.2062661 1246.318183 1535.186176 614.1057395 2220.54397 709.9075212 883.8990048 912.4718798 1021.674704 1073.238064 963.9248848 742.715285 694.0279186 1283.540351 1387.106755 364.5896408 439.0271969 772.5533446 1417.977085 707.9236017 1040.713468 1250.602312 1370.833282 1441.789521 1068.5517 889.399708 934.8392345 1353.268323 1275.033682 722.8636073 1101.879564 1625.963086 501.5216247 837.450031 1156.889794 526.6479864 1183.891185 904.0407179 693.2358699 512.0321424 1024.796375 1894.033917 1501.344212 549.4016043 1485.277702 847.3693685 1049.633641 1365.698465 1116.577878 1572.824989 696.9908554 1285.02879 1005.08997 604.074142 520.2958078 1111.991764 1452.165894 484.7363985 826.4996542 624.5610821 2116.137736 1443.805546 825.4356928 1933.498154 651.9051995 870.6791398 1404.027292 1660.606622 733.9469818 1262.464012 1089.172513 972.0249876 754.8570349 1302.202594 1125.945302 489.7178635 754.3226307 1004.029824 626.8240578 639.9527139 680.206553 603.1884625 570.4461515 901.3797524 625.9320594 655.2078527 947.3660001 829.2977733 1144.963985 862.8339475 1343.263638 1508.865158 1027.960926 841.3649149 1493.64567 1217.889448 1182.262401 783.1358051 890.5041566 923.9754423 650.0211857 739.4788291 535.8013455 692.3148559 1625.672774 638.6761288 No_result_found_in_bank_inhouse +M573T1141 M573.4526T19.01 573.452597 573.4488717 573.4569822 19.00957842 18.8730938 19.26643179 0 236 0 208 [293][M]- 181 Inf 27.85883259 0 1 0 0.576981563 0.175565019 1 661.8312694 381.8644405 0.576981563 657.2600301 115.3918694 0.175565019 0.304281852 0.953973982 5.47E-13 364.9920924 957.9395631 592.9474707 0.752778034 0.752179857 0.943266674 0.755830889 0.943247809 0.953173798 0.99683612 0.699823706 0.996878839 0.701953625 0.953173798 956.301887 549.3009306 576.9983419 908.2369628 2151.164049 420.1554704 919.2058925 758.8608232 696.9454004 250.8368411 523.8997315 687.4199507 700.1205502 582.6400044 1790.784537 369.9049619 496.4065319 647.7305771 638.8228138 493.258871 464.4466805 761.9545307 509.4263973 923.1108657 378.0791239 272.129668 231.7859418 351.9373956 476.2724832 1049.387038 596.1138941 1298.636304 644.5554272 419.7983594 566.7732263 1512.958922 579.4648545 565.17668 627.1280709 712.5733978 831.8892706 423.88251 647.7780692 509.611557 1348.568229 1255.771781 380.6671011 128.5935705 585.8151543 445.0273339 307.9361258 537.8864483 530.4908553 522.3121565 749.3353735 722.9959361 487.3855078 361.9670872 420.7073601 368.317387 336.5658881 478.5394282 806.4880715 157.1699194 452.458859 236.5486666 563.9308932 405.7669946 671.5442013 486.5323206 531.0169975 1735.219414 3087.833266 505.4557522 531.0612062 447.715151 633.444629 725.2836788 839.8271453 728.6968992 484.2103579 781.0868724 689.4712922 550.8885055 868.8984966 388.9558612 855.7028947 830.3016956 806.4880715 889.7575231 445.0590018 958.8952661 363.301017 768.3862728 431.8203847 703.6719522 322.9029824 492.1482326 450.8712841 684.2448008 425.9297841 312.6900113 410.5353701 481.3207294 562.5099779 182.5711185 736.7959879 307.9895391 773.1489977 402.2458148 101.6047964 422.1239083 674.7193511 193.6841432 854.1153198 454.803499 1044.624313 450.8712841 968.5755019 298.6838483 236.5486666 1057.324913 368.317387 No_result_found_in_bank_inhouse +M574T1141 M574.4557T19.01 574.455727 574.4527475 574.4587485 19.0100932 18.8768593 19.12432228 0 107 0 99 [293][M+1]- 181 45.40322215 23.28815025 0 1 0 0.566454877 0.241500805 1 304.8428715 172.6797312 0.566454877 296.1830902 71.5284546 0.241500805 0.426337233 0.916137794 3.36E-10 165.9574218 496.1788223 330.2214005 0.800950374 0.804513848 0.955934833 0.807619313 0.955848332 0.926511606 0.920744455 0.87866367 0.922714813 0.881251484 0.926511606 350.7126593 264.8167223 407.3094357 491.5006405 990.3839266 177.0277861 330.6382197 298.4928372 371.9679971 171.4420398 215.8332823 228.0791423 445.4431571 228.0791423 791.3887018 163.7883773 258.3773801 203.5874223 393.2776865 256.1155926 174.3365617 278.8571098 329.7286709 812.590599 229.6428122 106.9794099 263.2859898 165.3528939 229.6098748 212.7718173 304.0039068 502.0802595 151.5425174 238.7900642 252.4688929 664.3379044 209.7103523 249.5093973 490.9858495 276.3826372 379.6216596 183.6878998 249.7582441 153.0732499 606.3114543 424.0129021 280.1406327 0 226.5484098 325.2186608 128.6733958 266.5050133 299.2319739 131.6429949 419.4207046 424.6820041 229.6098748 315.3308947 169.9113073 194.4030273 123.9893324 199.8118624 214.3025498 94.90541491 344.4148122 102.5590774 259.38187 316.6851547 229.6098748 223.4821922 219.5355899 678.1144969 1010.283449 285.3899074 229.1676349 271.4427484 293.9357341 238.7635585 339.8226147 189.8108298 355.1299397 381.1523921 385.24 266.3474547 456.7456531 232.6713398 189.8108298 543.410037 295.4313722 397.1638727 177.3995107 352.0684747 114.4876094 434.7280296 137.7659249 104.7400378 210.2948843 174.5035048 322.9845572 274.0011172 224.4670028 140.2466729 247.7945399 315.3268962 234.1067165 127.0507974 508.1225256 174.5035048 151.5425174 207.7639842 78.06735743 178.7418949 130.1122624 183.6878998 309.2079647 151.9427066 417.8899721 208.1796198 461.614056 138.2546364 206.6488873 388.8060546 264.8167223 No_result_found_in_bank_inhouse +M578T881 M578.302T14.69 578.301997 578.2977853 578.3055507 14.69053654 14.67177055 14.70715768 0 100 0 100 71 Inf 38.78641922 0 1 1 0.464043969 0.237603903 1 391.4848458 181.6661816 0.464043969 405.0965753 96.25252749 0.237603903 0.512028857 0.958315734 1.88E-13 198.2099814 638.7212659 440.5112845 0.029724026 0.031215919 0.977302209 0.031730719 0.976483773 0.896173123 0.620481954 0.140155645 0.621296461 0.133688622 0.896173123 332.7397321 594.2478211 246.0814067 488.7904281 263.7437485 320.8968152 268.8368476 620.2838804 496.7562133 120.4456117 353.7832134 242.4996494 315.1548227 114.2936369 329.5654993 567.8969634 371.6898025 632.077305 387.3755112 498.2999478 373.0622776 569.1938052 321.6143674 150.7163562 365.2611604 233.2515841 450.0448783 537.0404343 286.1634886 104.2096615 267.9498862 378.4192902 202.0949215 337.7439293 618.9917411 193.4402822 261.5330906 670.9429493 567.1948434 318.5048017 459.465024 353.5266111 438.2418455 234.9491865 650.3911954 627.2925944 432.1799648 196.9295112 769.6535192 250.1247297 320.5188404 300.8682695 231.7545952 399.1963327 237.6202453 261.8705623 387.4354168 328.3372612 497.9313091 494.9972579 291.1272699 306.2652052 520.6256378 111.2266321 448.9128755 325.7805609 670.6514943 267.6073481 283.3637666 360.2771957 218.2338506 328.840136 496.2170976 258.491319 205.5658166 250.8538976 811.5759418 411.3523472 724.6030501 513.9890267 623.9896639 334.0520214 402.8293632 539.990983 921.3408988 160.2768259 527.6835437 245.3960969 669.3410088 237.1831821 568.7731649 397.454459 247.2274217 374.2644912 575.9442862 516.2724151 298.841954 308.594899 461.8584995 307.8905913 257.9710523 764.0158415 280.5851921 440.2854838 454.2535718 519.6436998 221.9285757 666.4589406 440.7973476 282.1324791 152.7485321 433.9372199 427.3033681 489.5746626 294.3188497 233.5031663 142.9903406 76.1102786 240.3754063 376.0196095 528.9375875 534.8822844 429.2485243 No_result_found_in_bank_inhouse +M581T880 M581.321T14.67 581.3210494 581.3183352 581.3225375 14.6691256 14.6492868 14.68548732 0 108 0 108 [294][M]- [M+Cl]- 546.355 [M-H-CH3]- 597.35 20 Inf 52.19768082 0 1 1 0.305798008 0.101735046 1 3182.747507 973.2778472 0.305798008 3146.226839 320.0815322 0.101735046 0.332687079 0.990499824 1.88E-20 2528.15651 3830.135085 1301.978576 0.000928899 0.000898547 0.828852751 0.000902672 0.82588821 0.895228214 0.017710942 0.140155645 0.017743981 0.134863007 0.895228214 2610.573269 3874.022397 4284.802947 5268.129304 2245.374074 2800.232631 4008.322515 4567.262873 4120.646775 2726.456704 2477.5797 1586.002171 1997.953818 1999.609719 2458.725691 3394.401514 3275.402589 4099.992539 4662.00011 5006.586781 4351.106319 4358.784186 4230.741482 2507.342761 2037.823989 2805.574274 2918.064913 2753.151917 2888.600814 1741.297986 2856.564107 4248.042485 1855.502685 2831.447169 4126.547472 2125.722206 2692.023967 2745.058711 3941.305326 2417.86518 2189.540421 2977.069118 3777.183661 2620.565567 3795.375313 4657.088183 3510.188234 1451.485898 3238.953838 1752.224764 2603.944437 2925.484107 1551.266845 4014.251578 1795.539918 2971.847988 2177.840753 2801.206389 3072.567814 2283.451204 2532.02297 2875.749117 4901.950994 1732.20496 4350.7432 4077.1295 4955.978151 2931.930752 3182.72315 4121.725652 2859.462462 3019.972158 3956.318008 4137.750232 2557.326627 2863.026986 3295.058652 3450.610359 4546.043731 1952.596721 4041.036415 3564.611333 3615.678401 3877.036995 3654.236864 4061.516576 3751.985033 3626.828503 3825.995563 1957.231529 3095.958814 2810.404856 2366.682998 3448.601133 2705.953921 3829.094883 2860.744326 2275.8119 2665.470565 3189.206478 2375.489182 5080.197434 2181.699892 2479.841226 2391.231649 4790.333407 3678.988762 3560.519368 3210.450058 2345.475963 2597.97814 3708.99444 4046.092245 4026.069108 2909.16209 1750.611726 2588.435872 2050.203296 1301.328503 2335.678137 3689.968353 4257.321701 3896.005853 No_result_found_in_bank_inhouse +M582T880 M582.3241T14.67 582.32406 582.320365 582.3262299 14.66705456 14.64901806 14.68199159 0 188 0 188 [294][M+1]- 20 Inf 49.91121736 0 1 1 0.321721837 0.182761619 1 980.7801741 315.5383995 0.321721837 961.9901141 175.8148705 0.182761619 0.568073403 0.971074509 3.58E-15 544.8754163 1321.645473 776.7700571 8.90E-05 8.51E-05 0.91497935 8.46E-05 0.914597359 0.895228214 0.020138886 0.050187272 0.020691996 0.046960903 0.895228214 1019.783698 868.8742251 1313.047761 1683.808534 593.1933251 968.8694918 1323.682314 1336.939988 1206.124955 1079.401357 712.8799372 743.5757074 804.4279514 638.7185094 808.895418 981.093969 1273.84098 1121.061159 1282.43171 1379.729335 1275.789799 1313.590415 1165.646652 735.6501771 608.9968027 906.1969033 931.3698842 908.5252824 840.5179216 655.3984616 976.02136 1153.775753 500.6914646 890.9669036 948.673269 665.9132693 695.1097387 844.812184 959.8495682 941.7881544 921.5744182 1211.28311 939.321763 879.8830739 889.5333189 1535.528085 753.4402306 525.7882775 1034.837344 533.1682629 736.8716294 1047.855815 453.7946907 1297.530852 470.064188 810.9082289 529.304671 790.999804 678.9824633 1057.607032 858.0921045 636.0288245 1641.696393 730.502308 1378.471688 1269.985005 1456.516378 790.4923141 1224.615661 1377.379933 1009.315422 708.8003324 1088.978473 1130.42344 981.6160676 817.3016637 884.5202187 1014.549657 1367.65278 561.3795442 1100.528016 1049.881617 973.7276823 1153.10542 1165.813283 1146.363582 1588.226578 1173.076606 1138.856067 567.4954747 862.1215702 972.2457306 663.632446 1577.522254 887.0463874 1239.121871 612.6061811 927.1326659 797.0006855 734.6406653 824.7004068 1444.317291 673.8356546 746.6244761 704.8526856 1287.836898 1104.731346 1309.319535 1426.630168 819.0307056 819.5115236 975.1546559 1078.967297 969.5584512 870.9135801 553.182898 843.7418919 641.8396011 367.5337583 666.6726891 1082.385631 1357.935689 1278.133996 No_result_found_in_bank_inhouse +M582T910 M582.3411T15.17 582.3411332 582.3368728 582.3464327 15.16860887 15.14765702 15.18540834 0 114 0 114 7 Inf 62.67521056 0 1 1 0.249432849 0.190035589 1 224.7366548 56.0567041 0.249432849 226.4633805 43.03610201 0.190035589 0.761870741 0.939411923 1.05E-11 130.4082278 303.1966089 172.7883811 0.394455656 0.394418848 0.828852751 0.393518451 0.82588821 0.896173123 0.386256165 0.921580849 0.386955566 0.922224009 0.896173123 199.2191157 242.697872 319.1686425 319.4611497 256.3181643 194.0491349 335.3414264 194.3784813 229.5134762 196.8758008 167.5783142 167.6983019 170.5427643 231.4133927 237.608935 210.0536651 214.3955571 239.9836648 363.3485252 336.3612388 248.8322651 190.5781116 160.3894933 194.2705734 237.2744011 180.0188959 178.0538141 277.974996 262.9295219 211.1028914 181.1434403 157.272804 140.1961642 327.4510562 231.0478549 173.2422799 202.0062571 199.7462982 229.5087959 125.0036668 288.4594622 240.499799 275.048769 179.7254788 203.1913391 182.9839595 263.5204077 258.8419814 151.2853254 235.5048864 182.1714373 270.2623239 212.3610997 207.3280196 240.3552511 213.7402213 121.0766333 173.1317354 267.2446292 278.4840866 237.2843788 247.7142536 195.41938 212.5325292 217.6890375 224.325043 232.4304561 297.6295149 267.6720331 275.147397 209.6561612 146.5104288 249.106506 235.7396935 469.7984284 274.2519941 209.0903179 273.8940874 191.6450912 194.2922397 228.6256201 158.3717381 165.9518027 216.6080415 303.3449236 227.7643088 274.3559525 275.785696 212.8948017 172.0389988 487.3328595 249.7518958 178.6785759 208.4546917 200.5936476 269.5067733 204.6624865 161.2357665 238.4421198 237.7025644 170.164164 240.8408471 222.5278658 224.3871768 129.246475 236.1349868 228.0525701 240.7821861 164.8659346 225.849701 217.2864677 335.7389321 309.4415926 301.8108218 313.4867288 233.1875484 287.384123 208.0622544 188.8501369 272.7472222 297.7839 196.2916803 227.1635721 No_result_found_in_bank_inhouse +M583T47 M582.8804T0.79 582.8804325 582.8776683 582.882517 0.78886875 0.769987258 0.806396541 0 258 0 258 16 Inf 56.48012682 0 0 0 0.284801441 0.241585111 1 1365.338275 388.8503077 0.284801441 1319.301527 318.7236057 0.241585111 0.848258037 0.759052161 1.71E-05 679.8262055 2055.600977 1375.774772 0.381100311 0.387440443 0.924683577 0.3923586 0.927443108 0.94309074 0.652352267 0.812625699 0.651827007 0.817173682 0.94309074 1035.448422 900.6287838 1941.357843 1199.531158 1196.455757 1303.16236 1085.794556 1345.464898 1126.333807 1641.291871 1185.499202 3741.663378 854.6112547 965.2724556 1029.916127 1312.595235 1155.487897 1245.760252 1516.469916 1402.475594 1430.974175 1240.120045 1173.623358 2259.160194 978.4512614 987.9507882 1240.281975 1640.827358 976.2290102 1932.736222 1537.196157 1838.509853 1383.812839 1281.572526 1943.948623 1526.248048 1886.718693 737.376121 1019.040149 1319.570633 1758.527005 1829.744609 1443.064482 1055.116203 1386.067321 860.089532 1411.975121 880.9069856 1937.118844 1195.213191 1461.199942 1272.936593 1514.74273 1274.247294 1410.10857 1857.589288 769.1501292 1645.674493 1503.239284 1533.917637 1577.743855 1143.397591 1960.127608 1014.576951 1247.951563 1212.890588 1004.359062 1234.074892 1352.038831 1519.060696 1488.834929 2555.06852 1959.031953 2008.718124 1383.476541 1398.157628 1110.581043 1040.629982 1164.681748 1047.446615 1469.273965 1348.751865 1401.612001 995.9508083 1350.659994 1559.117712 1127.429463 960.8898338 1166.873059 2170.210079 1022.494522 821.741591 1112.30823 1479.134864 1360.804075 973.2697014 1549.286463 1925.066634 1387.099806 827.2198683 1065.674189 861.0025663 1115.762604 1180.532104 2139.984312 1354.230142 1688.324992 992.663842 2158.441246 1240.983639 1357.517108 1150.306337 1499.952318 1566.7873 873.2373974 1252.210352 2109.13675 1424.352091 1165.851018 1642.554545 953.2202456 1483.517486 1289.58647 No_result_found_in_bank_inhouse +M584T933 M584.3398T15.55 584.3398489 584.337078 584.343087 15.54697551 15.53375226 15.56203831 0 81 0 81 30 Inf 41.15424008 0 1 1 0.401710883 0.170412134 1 545.4241927 219.1028341 0.401710883 476.4506419 81.19297045 0.170412134 0.424215875 0.939169706 1.10E-11 306.985783 660.969905 353.9841219 0.014130462 0.013597292 0.812332331 0.013677833 0.810685871 0.897437208 0.042082286 0.54355829 0.04476555 0.546038455 0.897437208 381.5598948 448.3137458 460.1511039 289.5921672 800.9700409 442.6236625 317.8393011 962.2224581 366.6085835 270.6503986 327.4777379 271.3531524 238.6835613 244.4279495 478.8831698 627.6125572 193.8593033 506.3887656 525.3203568 835.2685954 958.0948437 836.8998907 608.5681088 133.2589054 807.3492278 417.6411916 615.6066263 637.6401447 586.4972171 133.2041945 485.7155178 805.5401046 229.42709 582.9848724 432.3456633 475.8556563 340.5604056 371.864659 616.2486085 645.8482642 462.5443087 393.0710523 585.6866365 281.1167015 616.4335576 931.572007 725.1595489 401.9299851 829.2714897 455.4730437 357.2360747 529.3921954 367.3622632 924.7070792 329.1739517 421.77359 324.8502418 609.1038617 632.9997322 492.5685274 703.6769114 487.8582157 700.5381136 393.7507183 849.002682 628.1462039 649.4932928 491.8207795 411.5262459 481.1186496 403.6969245 471.175018 385.9097766 526.0662593 659.7408261 459.2608761 681.1305229 463.7353501 739.7278828 490.3486957 443.4489915 381.9079269 709.6676546 500.5494887 614.8272866 363.1752305 935.5567982 420.2006043 475.4453168 285.1020799 339.1071287 823.2593665 303.3153424 549.8902446 835.3575062 941.0463123 673.0831435 434.7323034 329.7014051 562.4641691 280.7637555 626.3028173 575.1764658 201.4724132 363.4291976 1215.261125 524.4682574 917.9168179 717.8185936 448.9501169 746.2756941 1000.327475 427.1577795 526.5867446 654.4235847 434.3500295 265.4379216 552.3909002 205.2194847 273.8976144 720.515149 881.7716007 904.2432466 No_result_found_in_bank_inhouse +M584T910 M584.3571T15.17 584.3570519 584.3546678 584.3584536 15.16759184 15.14865475 15.18198457 0 194 0 194 [296][M]- [M-H]- 585.364 7 413.4201616 59.45264211 0 1 1 0.095385347 0.060521053 1 3173.130717 302.6701742 0.095385347 3191.420394 193.1481229 0.060521053 0.634490045 0.921071215 1.77E-10 2826.248337 3617.076815 790.8284781 0.226076645 0.213936529 0.715391897 0.211480655 0.695696123 0.896173123 0.074886113 0.825522489 0.070626021 0.826905887 0.896173123 3004.011695 3224.070851 3275.872868 3998.607297 3414.472189 2976.490686 3037.217983 2811.437431 3058.192421 3160.963041 2860.810662 3207.488433 3000.306154 2985.716246 3230.599837 2800.627302 3662.517999 3141.786819 3149.224902 3290.136606 3418.990151 3658.040872 2801.444911 3190.279176 3527.421567 3644.576502 3661.830568 3911.569476 2997.206949 2728.819578 3713.154844 3342.104491 2886.249617 3409.010492 3845.03656 3201.323682 3377.173909 2815.140652 3063.945956 3087.802311 2901.885434 3147.972337 3264.832562 3126.41055 3813.77929 3493.985785 3126.636456 2739.498668 3361.213939 3433.345661 3396.720235 3318.999422 3125.573069 3190.916 2601.619549 3446.46377 2880.618025 3343.18767 3148.748755 3272.480964 3190.821026 3180.164902 2926.9153 2766.18507 3010.653579 3689.257842 3069.510083 3022.090616 3378.32572 3507.444626 2759.711905 3182.064202 3262.673903 2953.496085 3695.99041 2906.553595 3111.506194 3584.036697 2960.981101 2669.809172 3041.237202 3114.029489 3594.773839 3095.475974 3515.592219 2876.182675 3352.398612 2949.145896 3153.498401 3040.282791 2811.684113 3853.229156 2607.050614 2950.168465 3136.271983 3042.703982 3117.995943 3276.966196 2854.727441 2953.399104 2865.245889 3240.792684 3032.629183 3164.442725 2840.845295 3176.372002 2979.970249 3336.036731 2771.218853 3027.767609 2798.064731 3109.027872 3440.570013 3447.821806 3343.960514 3693.191588 3383.165597 3333.284654 3202.161215 3054.49132 2753.089436 3178.94405 3002.210815 No_result_found_in_bank_inhouse +M585T999 M585.3523T16.65 585.352302 585.3489212 585.3547937 16.64911273 16.36356905 16.67529753 0 97 0 97 [299][M]- [M-H-CH3]- 601.381 39 37.68223156 46.1719811 0 1 1 0.326569886 0.125464631 1 1400.675422 457.4184123 0.326569886 1364.652144 171.2155772 0.125464631 0.384189223 0.978661282 1.30E-16 991.8750445 1794.615311 802.7402663 0.006920041 0.00706971 0.907981747 0.007135637 0.905542086 0.897437208 0.549838195 0.050187272 0.554466205 0.049633511 0.897437208 947.917168 1226.569168 106.39908 2630.590469 725.8371565 918.5795583 1123.516458 1294.651574 1914.40299 798.6328006 1213.855422 1073.459002 1477.081541 729.4706603 696.9697812 1095.669749 1005.597719 966.1119545 1477.281246 2134.082927 1099.784363 2057.194037 1316.771397 1171.797 1312.3554 1376.731406 1674.014622 1480.808528 950.9696341 802.6333436 1602.921878 2472.075186 1115.809969 1121.068169 1372.977063 1437.633876 1113.745822 1321.659562 1605.717636 1312.926543 1808.736221 1900.328839 1832.768967 1795.543339 1714.815575 1675.188229 1221.838927 1382.428622 1690.002096 613.1934636 1141.806063 1540.111987 971.1417922 1857.521915 1529.864743 1147.78444 626.9566422 1750.384975 2049.769862 1992.114312 1110.198773 1928.686948 1347.981569 1931.703919 1840.565091 1297.922872 2175.624371 934.7140947 1213.856638 1425.929317 653.5976433 1068.68776 1511.061708 1758.209848 726.746209 1065.27759 1286.494768 2632.931105 2093.403155 1134.861344 2216.737337 1132.478645 1397.022715 1715.995533 1586.032056 1953.281136 1658.028556 1739.5608 1150.327029 735.8600317 2142.421238 1379.044731 629.4499354 1555.283589 1498.556334 1125.458365 970.2982094 1271.591437 891.0076902 1214.056344 1236.186907 802.0197544 1012.592213 1213.59963 1268.181189 1442.713424 1409.69483 2029.855339 1659.620411 1471.050939 1412.123194 2167.581913 1880.53857 1368.583598 1426.058066 1058.743215 843.0459184 878.6086425 1113.240091 934.915331 1055.63192 1714.856707 783.9600889 No_result_found_in_bank_inhouse +M585T910 M585.3605T15.17 585.3604556 585.3572921 585.3628437 15.16874822 15.14903084 15.18380885 0 172 0 172 [296][M+1]- 7 165.524994 57.048297 0 1 1 0.145755698 0.126098941 1 1021.259432 148.8543817 0.145755698 1026.56314 129.4485247 0.126098941 0.865139013 0.884431154 9.83E-09 728.9020958 1239.078216 510.1761201 0.919528832 0.916493726 0.715391897 0.916148009 0.695696123 0.895228214 0.111794976 0.832077221 0.114449097 0.834346521 0.895228214 915.0377906 839.5441866 955.3780354 900.1649786 942.670482 858.7747428 905.9782772 1050.988237 851.4010163 802.4565689 810.5440145 1003.300426 708.0906506 885.3061666 924.61623 1063.820323 1084.405909 740.816202 1027.99377 790.3590743 997.5284444 1339.609503 1202.742601 1298.703106 942.3183228 1188.532296 1103.961713 1237.659071 1352.912195 766.0043037 988.7714709 1080.984323 1123.000993 1227.244158 1297.108562 896.4166899 894.4704303 1091.948472 962.579167 929.6450385 1055.678403 863.3593288 1117.862721 875.3665623 935.5063267 1015.439422 1010.857758 794.7994485 1065.949066 1128.974118 1089.123379 876.101459 1201.079171 1066.569772 682.023255 1090.842949 917.0229859 1052.879022 1068.257912 1194.35232 1019.554524 951.0868442 931.4999947 1034.455981 997.365444 997.9864455 810.1878685 1111.958456 938.4419304 1222.63214 1131.816261 945.2027176 845.5685251 1095.845501 1004.932336 944.0698522 1106.291673 1115.199192 1040.422983 899.3390801 950.2933968 989.2266611 1086.347844 946.652863 897.5702691 1010.75681 1172.53658 1029.320825 1064.504496 1052.626652 1119.450108 1207.383084 913.9447116 1028.195348 1103.123773 1080.870177 1205.517826 910.6900178 668.1860034 998.3006136 909.3173683 1254.683752 1058.799494 1005.421028 1353.418451 1174.244022 1018.988527 849.9400213 1053.182994 1199.247062 888.3871798 1002.805607 911.2625527 844.1374382 995.2028812 1479.570417 901.143505 1048.574026 973.9813198 863.2535891 1017.348357 1097.769843 1018.714368 No_result_found_in_bank_inhouse +M586T999 M586.3557T16.65 586.3557084 586.3505846 586.3600208 16.65130869 16.63352493 16.66840326 0 119 0 119 [299][M+1]- 39 46.48092768 33.49660709 0 1 1 0.323882974 0.194120001 1 455.0066228 147.3688983 0.323882974 448.7586772 87.11303498 0.194120001 0.599352287 0.964003767 3.83E-14 263.019056 774.2492192 511.2301631 0.027555723 0.028533386 0.917465563 0.029816642 0.917754402 0.931912603 0.682015887 0.093111041 0.679887139 0.095954132 0.931912603 380.6321404 565.8527306 690.1308319 578.0382885 275.7280943 279.2926963 334.8308715 349.2706847 373.3306948 188.1230454 529.016791 416.0712012 394.094837 360.6149648 255.1800247 411.3865456 269.8547281 678.5493782 452.1912026 589.6730292 342.1275024 491.7683802 381.0924567 332.3546993 571.8582436 498.8468396 623.1353258 554.1117295 364.6002626 339.6734829 688.542585 557.7031886 324.1695594 295.4956796 319.0833368 429.1487398 396.0823149 420.6792277 473.5747754 381.2865695 616.5133494 713.3827106 607.3946547 495.2765945 503.610746 736.3013846 408.3094394 404.9033468 540.5273465 260.1700441 441.7895701 539.9441526 400.0911818 588.2613108 404.7622651 394.0584588 200.9965355 489.2505034 700.270968 623.7589183 373.0878868 618.1723511 523.1001228 545.5342353 732.9430669 609.0928806 726.0192262 434.9102417 565.059101 393.3955464 199.3624535 305.745377 556.6412803 700.9433039 328.3345375 519.0735822 336.7200366 671.2088712 668.5017333 264.0500122 429.454718 403.5101926 442.9028535 461.7498249 574.5412264 539.5155255 527.7945339 417.8867157 475.0389525 239.5441901 800.006234 401.4746803 186.5586007 612.0800741 434.9531785 394.6053174 409.2208208 533.359702 323.6740571 297.1567468 431.5006749 331.4807953 458.4646673 372.1833055 400.8593379 718.7817209 375.3969508 627.5274104 441.6178783 373.7483075 321.6289429 443.9843304 518.7102343 465.826707 661.9568746 498.2414053 376.4407199 304.6506802 355.839531 301.764393 411.9425481 618.0350511 327.0115685 No_result_found_in_bank_inhouse +M586T910 M586.3632T15.17 586.363207 586.3592173 586.3672131 15.16722783 15.14613642 15.18265128 0 146 0 146 [296][M+2]- 7 43.36713705 33.40595009 6.93E-14 1 1 0.235484918 0.198619523 1 262.3462616 61.77858801 0.235484918 272.287624 54.08163806 0.198619523 0.843449018 0.815766503 1.19E-06 159.6092748 403.6594568 244.050182 0.838093795 0.839933401 0.828852751 0.839651353 0.82588821 0.896173123 0.673820615 0.825522489 0.67099098 0.826905887 0.896173123 206.9123654 232.2296732 247.2446719 238.1904561 209.2363948 254.8883618 232.597469 267.4978278 335.4903988 270.8787182 234.2820837 387.3495797 302.2758038 230.6720365 238.3912021 296.3641481 245.7021831 284.1515862 274.2498522 227.6625384 295.3174462 267.0423137 236.9237413 424.1709864 298.0916257 252.2480203 301.1921262 221.2711479 233.8881321 179.1868051 248.6393549 275.1081785 204.0162334 137.9551523 201.8227442 256.1667143 281.3053848 264.8726682 192.5105783 310.2872634 188.4407359 253.606318 253.0590938 253.3320455 224.3779984 227.9742304 287.0646044 273.027869 198.6962145 249.3789812 179.3738791 249.2536881 284.3163193 296.1369272 217.9410771 273.400421 318.6737076 307.0987491 288.1339034 229.3278989 290.2391329 233.3236808 319.1702972 314.5006592 209.6857889 308.0807881 258.0229119 312.2426802 256.5751261 196.2023291 271.5267807 181.7165676 212.851355 275.9287897 341.1926267 357.7762333 218.5398257 279.1405216 323.3506018 444.7454911 295.4563719 246.6407332 323.2534754 263.518924 281.130121 233.1502659 319.8761706 195.6988261 274.4913506 241.544 261.3941135 283.6558405 275.2597558 211.8458912 306.2471162 141.0588606 288.9005037 195.2430624 241.6305 222.279946 231.0993672 208.3406703 342.9260786 237.6704489 314.5625347 319.1890803 247.4330116 251.7177009 311.136754 220.3035745 267.6454674 284.601422 297.6820416 250.6674396 293.5461089 205.9418756 305.3315942 253.7686906 300.8593852 213.3207626 220.099215 342.956782 281.3997902 No_result_found_in_bank_inhouse +M589T48 M588.8976T0.81 588.8975572 588.8965544 588.8983532 0.80575 0.787083333 0.823266667 0 252 0 252 [302][M]- 444 21567.22427 367.9685796 0 1 0 0.039067093 0.028644778 1 125516.8995 4903.580435 0.039067093 125667.6526 3599.722006 0.028644778 0.733220095 0.709992549 0.000101766 117180.2099 131604.321 14424.1111 0.226827324 0.226052286 0.861253097 0.231063502 0.860912571 0.953173798 0.497794523 0.575355163 0.505857349 0.578321875 0.953173798 128908.1311 125852.428 125012.8372 129352.7386 124828.8946 122333.0984 131274.4433 123565.2978 133857.886 125004.6731 126489.2487 120684.5383 132272.8656 126769.4899 139058.9225 119383.777 121844.4845 131463.2797 121391.0756 128118.3647 123284.4319 131100.6955 118883.8209 125961.0401 124508.5465 121630.0881 129372.0171 122748.0362 117045.4199 126365.7014 124884.2617 127947.7085 129968.6597 117429.4125 124378.0518 120368.1369 126740.3609 127782.9789 129719.9078 128553.8171 120551.9511 125837.3613 122502.5583 128389.666 129274.1126 131268.4166 127175.4413 130689.8541 128479.062 122766.5891 131335.6858 124000.6358 120730.461 135199.8297 123620.5425 118127.894 123204.7007 121024.0421 121988.313 125037.82 123117.3136 126578.543 123349.3413 131190.0696 120981.8552 123049.0111 126627.215 125455.388 130833.4903 120775.9987 116104.0736 122917.4283 119829.7523 125503.0063 125176.7035 116758.2718 126590.8791 125425.1361 122133.9581 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13957.80137 13162.73543 12345.72471 13693.13048 13586.56719 13839.39416 13477.16443 13163.43066 12688.27258 13643.5594 12094.47838 13346.19402 12613.66167 14070.17452 11773.63852 13140.17735 13016.92612 12880.36698 13572.75791 14291.65678 14332.35812 13011.94395 13353.09641 12588.41625 13088.8494 12647.21587 14494.38043 11980.13757 14361.40312 12478.42052 13797.00715 13905.19894 13173.35898 13298.48054 13669.40005 13716.21434 13408.11612 13005.25962 13784.80209 13537.804 No_result_found_in_bank_inhouse +M590T881 M590.3369T14.69 590.3368664 590.3347868 590.3385665 14.68947574 14.67709926 14.70422119 0 120 0 120 [305][M]- 71 Inf 33.79930176 0 1 1 0.517472606 0.179725826 1 3476.845732 1799.172421 0.517472606 3182.623085 571.9995614 0.179725826 0.347314667 0.976809371 3.23E-16 2114.811751 4546.295078 2431.483328 0.057693618 0.056043495 0.824671954 0.051788987 0.814503953 0.765470316 0.157056109 0.52115784 0.151555808 0.505318217 0.765470316 2366.335591 4209.684277 2684.419419 5947.187875 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4161.813125 1490.595851 5358.530264 2583.244606 1745.002932 3603.370574 3740.600178 4517.624246 3316.779192 2805.826622 2186.611119 1377.334901 2080.160693 7001.539329 2653.027397 2379.114778 3047.569802 8142.886262 2452.924102 5219.265358 4145.745176 2787.570488 1936.8561 4468.542358 3034.514822 3945.168129 2441.006355 1354.201717 2189.783218 668.4773218 1213.425229 2691.839658 3784.539917 6161.628799 3179.459682 No_result_found_in_bank_inhouse +M590T910 M590.3465T15.16 590.3465083 590.3448775 590.3477943 15.1649928 15.15159266 15.32596352 0 141 0 140 [306][M]- [M+Cl]- 555.377 [M-H]- 591.35 7 Inf 55.20747802 0 1 1 0.295975107 0.091501798 1 18948.41602 5608.259462 0.295975107 18875.07097 1727.102926 0.091501798 0.309153694 0.997539705 6.81E-27 15801.34755 21619.12931 5817.781756 0.774168629 0.776228613 0.907981747 0.777153599 0.905542086 0.896173123 0.954973042 0.678594721 0.954931558 0.679778253 0.896173123 16539.99973 17159.4266 18619.17277 18933.09149 12528.41748 19637.93497 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21978.70751 18912.42113 14664.07421 23596.94382 19332.79396 23339.42147 20261.64184 20620.58238 20103.23599 20118.73787 10857.10142 25501.31539 14431.53096 18867.21705 13896.0608 18811.57831 17281.82723 19825.38515 16872.78981 19164.47137 9017.508554 24302.50064 16417.66674 21859.8349 11486.38638 16642.5954 15412.45284 14471.39293 10008.5162 17544.91005 22304.86204 20393.37406 31287.63449 No_result_found_in_bank_inhouse +M591T881 M591.3396T14.69 591.3396239 591.3361662 591.3429045 14.68833555 14.67131207 14.70335827 0 99 0 99 [305][M+1]- 71 Inf 35.31659372 0 1 1 0.517105578 0.212474048 1 594.8488136 307.5996394 0.517105578 559.6131272 118.9032663 0.212474048 0.410891038 0.959880929 1.24E-13 298.4016932 803.8662938 505.4646006 0.051055373 0.051777952 0.87036886 0.047984894 0.870403889 0.828457199 0.327015996 0.36279374 0.319403577 0.351420524 0.828457199 540.7127372 700.3194157 384.2151611 780.2301067 241.2662202 450.4313096 296.0783959 1138.024277 644.7949064 197.1966498 180.4949933 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835.838341 544.7059997 398.251381 547.600639 313.8511062 391.6010036 950.8907276 590.590522 424.5550071 473.2808895 2020.581879 475.0114062 1154.878873 795.7692797 516.1469445 482.2291438 778.6626184 574.0779288 578.6350311 340.3633107 416.6934449 244.1486193 140.4240483 333.7813553 428.6495953 691.3394546 804.4062926 346.2406355 No_result_found_in_bank_inhouse +M591T910 M591.3498T15.17 591.349789 591.348036 591.3524981 15.16576963 15.14903084 15.17776157 0 99 0 99 [306][M+1]- 7 442.9728116 54.8187599 0 1 1 0.295119385 0.094147274 1 6273.471521 1851.423057 0.295119385 6165.406186 580.4561869 0.094147274 0.319014199 0.989850242 3.87E-20 5126.296919 7677.414734 2551.117815 0.828627323 0.830115384 0.907981747 0.832691108 0.905542086 0.924056199 0.963117998 0.71492211 0.962082819 0.719172948 0.924056199 4631.54223 5379.610669 5895.760684 7113.536601 4212.387999 6906.701806 4296.094052 9758.291278 6671.067833 5154.420954 4874.538088 6312.212457 7080.944442 2593.368246 5452.21036 8741.057515 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1109.208415 1098.035458 1091.284 698.7807688 1398.28064 1566.904686 1716.038101 2294.555414 No_result_found_in_bank_inhouse +M593T910 M593.3551T15.17 593.355064 593.3510532 593.3591001 15.16718873 15.1461252 15.18152254 0 82 0 82 [306][M+3]- 7 Inf 49.80967296 0 1 1 0.33305337 0.217342786 1 263.8826658 87.88701103 0.33305337 260.675896 56.65602558 0.217342786 0.652576452 0.906140271 1.11E-09 140.2008575 397.8569988 257.6561413 0.329606127 0.337232653 0.97449334 0.335809666 0.974581749 0.895228214 0.905114169 0.53149086 0.90300562 0.529415534 0.895228214 187.7348585 249.4659337 298.3171371 209.6117019 174.4305647 161.2272838 191.7241393 367.1256805 436.9939369 270.9239065 146.1750302 297.6832367 358.3677064 162.5206818 298.1658311 340.8498063 255.8597615 385.2610817 392.2206551 220.3642074 435.8408668 337.9905764 232.5432401 318.1819836 247.1162566 214.5707903 192.7826273 253.6825013 155.2853592 182.3793096 302.4396179 290.6097961 193.4213555 273.3812973 63.99683449 212.3802268 209.8421382 349.7929681 246.5460625 336.5362976 298.7684455 254.6800216 263.2555984 312.6550409 277.1747432 222.0340858 316.0093756 252.8577983 365.4583271 189.4891121 246.0454152 160.1760023 115.8457445 219.4400145 171.2202717 194.9537789 314.7723978 208.0563204 303.0423309 445.132358 273.2728008 331.8811172 267.3293876 273.6441073 286.7043937 152.7851072 253.4030412 242.4816056 316.2302124 562.3432634 307.8920578 278.4319604 251.5943205 304.0109802 148.4577024 182.0884824 375.7447749 236.0125497 438.8855689 354.2824913 208.3337736 329.4851491 203.1907113 288.3678004 265.3224657 186.6895931 337.4537191 174.2368032 307.8395384 183.9675278 399.7534712 243.2514628 258.5444038 243.0542252 243.5361038 420.6352053 314.0424673 288.0899462 394.758087 333.2170404 168.2149018 292.8095897 109.8913344 234.1169566 169.3279612 278.7386897 410.1630858 331.2820336 255.2424256 227.1218781 162.8795854 270.6664447 191.4118955 259.0124746 130.8290926 232.2391749 179.7450192 187.8789899 134.8154736 254.1485098 457.2810151 376.6077977 314.8656366 No_result_found_in_bank_inhouse +M593T1231 M593.4787T20.52 593.478658 593.4758638 593.480821 20.51568656 20.48077708 20.76612458 0 280 0 224 [307][M]- 1063 93.16655321 28.61078647 0 0 1 0.660747817 0.177485687 1 1340.62599 885.8156967 0.660747817 1193.773334 211.8776806 0.177485687 0.268613354 0.970562633 4.33E-15 652.8143129 1785.207356 1132.393043 0.394455656 0.392014661 0.79145929 0.39267289 0.799360927 0.897437208 0.295175335 0.989714906 0.292680022 0.98888698 0.897437208 527.0076588 1293.914314 1419.110985 1732.352485 3552.402389 332.2899696 915.9324001 547.2871386 1808.534535 898.5750018 979.4211235 1947.776002 1499.860232 1019.065727 2835.125501 1530.659429 1406.412005 227.752256 1431.809965 775.6960118 736.5408243 1159.840149 1534.460051 1251.907752 1193.704095 899.5110642 1091.716007 878.346098 817.4753101 1016.946966 733.3660794 1651.895943 1631.992889 860.3558767 891.0450777 2395.362887 950.4119254 692.0901205 2259.360144 476.2117399 1025.604821 940.4591389 880.4625946 1477.009106 524.8911622 2258.897032 702.6768784 874.871673 842.2770433 1738.701975 524.8911622 649.7644628 440.2312973 510.9672708 2562.459565 2546.145436 936.3821712 1115.312071 917.9911118 943.2006837 888.1157914 812.7347027 1441.719529 446.26846 793.188982 428.0859629 445.5225389 832.8414206 1142.027921 645.5314696 1173.597377 4049.614647 3744.538342 824.3754341 356.6296807 720.6670997 939.7245 768.2882737 1457.574736 911.6310897 1102.0198 1240.318493 1421.227481 969.4967662 1411.703247 563.7066054 2474.170787 959.3473491 1617.80998 3713.393323 496.3184578 2632.001449 1444.508944 990.1614033 1337.174638 1267.781476 1114.335471 443.8245231 566.2820416 706.7519608 1302.703671 288.9017889 699.5021335 739.7155693 1036.025096 785.8987724 1109.04423 613.8072857 2719.767091 675.1624223 313.3207841 404.2508547 1192.288896 480.0090274 1758.72546 1041.316338 1871.900537 606.5925201 2025.487267 634.9489865 541.0341428 2671.72563 844.8439023 No_result_found_in_bank_inhouse +M593T1219 M593.4788T20.32 593.4787566 593.4762145 593.4810104 20.31723345 20.29327057 20.3419145 0 208 0 208 [308][M]- 402 41.60033914 30.29514813 0 1 1 0.594618486 0.131812741 1 1209.514834 719.1998801 0.594618486 1132.298231 149.2513336 0.131812741 0.221676157 0.97574678 5.26E-16 785.4830472 1490.641392 705.1583444 0.653688098 0.652235609 0.787240672 0.653426119 0.793198186 0.91798044 0.370284761 0.838977714 0.374600944 0.837982462 0.91798044 520.9973985 1184.323538 1149.154059 2095.604468 3023.253441 432.5712143 1263.146527 473.5214889 1523.915915 593.1399167 1137.635125 2008.861588 1046.449579 1166.096384 2217.828672 1196.760391 997.8549055 196.3551976 1559.828074 927.3299638 858.1660506 1240.68899 1287.116187 1303.994387 780.2017942 754.9700219 924.8350675 1302.894893 836.3257869 881.9589478 691.2260594 1524.114068 1347.638423 958.0563558 891.3814446 2516.914529 1290.546221 641.8526664 1941.073969 510.5390172 672.9663889 889.1924606 782.295241 1026.603183 897.1052189 1933.421009 562.5227105 538.6280643 816.8193581 1251.382018 500.6173937 707.1829134 421.3146353 358.2879127 2094.909861 1966.908865 966.3194087 895.8805489 976.7034925 893.3151108 598.0752332 1295.231358 1261.468244 363.1650627 700.2323577 523.7346475 596.3230674 675.1602926 1160.213875 870.0795318 1132.812074 3577.673846 3280.332257 830.3530939 517.9116431 766.91957 589.2226272 793.2396871 1369.938611 891.381399 1021.061256 1066.492178 1340.181887 732.3203179 1999.541777 581.44186 1907.700807 643.4953441 1591.529654 3062.276454 501.5330528 2107.534278 1007.578243 908.1714047 861.836588 1507.33967 918.0747967 443.0965228 593.8443954 561.050048 897.4686894 262.1654368 822.3426029 736.7549551 694.3048276 900.0617434 1075.824655 827.2035214 2242.395211 932.0566208 516.3494145 486.6484719 1138.974762 577.0151468 1309.977902 847.4986874 1334.397349 566.5370964 1925.517584 495.8779809 539.9035636 2257.75425 736.7166262 No_result_found_in_bank_inhouse +M593T1208 M593.4785T20.13 593.4784716 593.4757924 593.4852692 20.12590295 20.02157111 20.15508965 0 190 0 189 765 40.82739879 31.74661515 0 1 1 0.548314174 0.131901228 1 904.9711773 496.2085235 0.548314174 856.2088238 112.9349956 0.131901228 0.240557758 0.977750082 2.06E-16 648.1437996 1095.74405 447.6002501 0.690929999 0.689524815 0.828852751 0.691195028 0.82588821 0.925773444 0.550231234 0.913996348 0.555460406 0.913037985 0.925773444 490.5333496 1027.980726 882.6550829 1282.192628 2611.973408 275.7476557 1072.427432 527.6160757 896.7862852 508.5462653 714.6512764 1422.650181 936.9804858 953.5260503 1807.996141 737.5080477 668.1708496 294.6335918 747.470399 606.083687 673.9392376 822.9012054 789.4993741 1158.499729 564.9531125 411.5997979 962.1904185 784.5068399 616.3802106 1016.066216 536.9315892 1017.2966 774.9302251 655.0210526 761.7735092 1735.406524 819.0090364 555.8787635 1339.732893 541.2656711 646.5791031 654.4373252 631.2217994 806.0719536 749.3597109 1267.012318 622.5168806 373.1491857 536.3665129 961.2798334 409.6747243 550.8272674 386.4290837 414.3834471 1283.587182 1010.413202 805.6500207 958.6614538 815.7176432 683.6820493 508.3174959 687.4310296 1051.820021 333.9253483 616.386688 413.3593399 404.383107 546.5894865 825.9090992 505.1257176 675.9132627 2299.359425 2180.471395 569.4113484 365.0991476 772.6376667 628.1011492 414.8223981 911.3087213 540.8131101 957.4170658 859.6531808 979.825459 674.2065269 1391.835962 306.9880548 971.561208 903.9300113 1248.749072 1905.580317 389.2495571 1680.301016 1041.490529 714.9306855 713.5912928 926.8352879 724.0545546 287.4773805 396.3074486 589.161203 620.1455586 259.6368855 628.7251688 448.3709096 667.1764402 632.2032972 746.8652198 781.7580107 1564.231481 512.8514719 328.5213318 359.4653083 888.8188348 619.5469645 1409.940011 648.124658 1330.471219 574.6776741 1275.649756 582.2393333 345.4086956 1423.459581 475.0750284 No_result_found_in_bank_inhouse +M594T1219 M594.482T20.31 594.4819555 594.4785197 594.4841477 20.31257778 20.10829979 20.34959322 0 114 0 88 [308][M+1]- 400 77.92920354 30.3113401 0 1 0 0.556847201 0.223063384 1 511.9522432 285.0791735 0.556847201 480.9873457 107.290665 0.223063384 0.400582752 0.96933805 6.73E-15 260.1400116 690.9969059 430.8568942 0.422974163 0.421197359 0.853058507 0.425770429 0.852698807 0.91798044 0.463926353 0.960909574 0.469226343 0.961796394 0.91798044 287.1337408 570.0115779 586.588945 772.0234549 1537.445304 242.5316885 466.4579198 264.9480984 666.1019094 340.5142814 428.2083703 723.9426915 409.5500535 358.2396824 1076.584879 568.1457463 780.9015279 152.9981977 667.109985 280.0430484 271.294913 483.7217416 800.4264804 617.2916521 316.4018004 332.2453246 544.8228503 674.5253685 335.8497022 505.640385 445.3445661 430.074202 532.6949444 531.1747014 345.5575596 777.1188943 581.206568 205.2414847 856.4847498 241.5734294 291.0697419 320.9230488 393.805645 438.4704446 367.1841078 859.2154882 310.4175538 309.7280587 234.1618757 670.2359257 259.7752148 466.4226985 299.0609247 256.5518559 924.5195969 655.5864209 313.4597221 406.751306 467.3908356 409.5500535 285.4722469 505.0725937 434.7387812 206.1744005 352.6421873 212.7048114 359.861077 296.2525686 388.0929892 205.0428931 377.4969108 1202.528517 1056.06073 344.1395078 334.4100886 456.0036597 413.8169823 392.649893 389.0259051 393.6904843 410.4829694 549.4874295 491.1940094 281.7405835 904.1764766 152.9981977 404.8854743 235.0947916 631.5840233 1351.666605 224.0161604 971.1653889 539.4238474 553.2190928 430.074202 591.4832213 491.8025424 278.941836 242.5581183 253.7531083 457.4836268 138.4652312 371.1798761 277.9008412 341.3106837 320.9230488 556.711297 322.7888805 1178.272705 282.786326 265.8810143 210.1230263 365.7030091 266.8139301 685.693142 377.2254562 555.0849245 350.7763557 784.0861869 288.3526694 181.9185887 862.0142357 283.6064152 No_result_found_in_bank_inhouse +M594T1231 M594.482T20.52 594.482022 594.4792906 594.4852075 20.51992982 20.47727015 20.83945064 0 115 0 93 [307][M+1]- 1063 Inf 31.89530826 0 1 1 0.607705552 0.168390812 1 551.0021917 334.847091 0.607705552 525.9629585 88.56732966 0.168390812 0.277092766 0.975880429 4.95E-16 352.9188141 701.9842796 349.0654655 0.601879928 0.596791651 0.74917679 0.598604659 0.735276384 0.94309074 0.32658805 0.832077221 0.321866825 0.835981542 0.94309074 260.7087361 516.15506 656.5063943 597.6472642 1573.83373 246.7341005 499.0940503 240.5956323 851.6829094 402.0960627 534.5150851 820.910612 386.6435299 410.777501 1309.097585 713.1129141 533.2042195 116.061565 650.018074 236.9069656 251.5029277 627.7190536 675.3559457 588.1067083 399.4934671 396.7299363 359.7229306 406.7731583 354.293977 306.7360212 296.9124862 595.3346883 654.3406402 423.2291 533.6159612 1105.417763 464.0869151 282.7028216 962.6427758 265.5124646 472.7695635 399.9122118 410.7606646 433.6971867 219.6134301 992.3501067 297.082967 373.3570402 623.6852797 712.0838739 176.6555433 337.1488336 323.9834313 202.5814124 868.5555176 873.7499939 341.50988 407.8687353 432.4150861 486.9911951 345.0808466 461.57128 693.3070953 162.4421429 376.6546545 284.3865057 238.9864724 266.9362259 349.7810542 357.671875 422.9759773 1673.784702 1379.277457 500.9865987 234.2190162 348.1919603 323.3493277 349.0895131 523.5278312 325.8106621 437.930922 659.832353 592.6225565 410.7619843 640.9335456 309.9427057 850.2244698 366.4161671 729.7056643 1496.05494 254.2020209 1253.243724 435.5780724 508.9864582 406.6134363 548.8604042 335.6969606 204.3306131 242.0159353 250.2089805 391.0314124 144.4637184 288.6919286 260.863537 479.8208178 383.9326657 405.3693293 306.3549718 1311.337423 380.8752033 148.9642773 271.8989982 483.0582606 229.0215372 744.395904 326.088821 829.2738283 263.1080487 772.0969915 192.099315 218.6690058 903.8461999 266.8834846 No_result_found_in_bank_inhouse +M595T1301 M595.4944T21.69 595.4944254 595.4908901 595.4969939 21.69125309 21.561198 21.75533653 0 99 0 95 153 32.42360995 23.02835425 0 0 0 0.72411037 0.225667134 1 593.3469711 429.6486948 0.72411037 550.214538 124.1653377 0.225667134 0.311647427 0.962803894 5.47E-14 367.9539673 921.8473355 553.8933682 0.205128921 0.194626803 0.715391897 0.196182834 0.695696123 0.897437208 0.059730293 0.972147899 0.06062989 0.972068942 0.897437208 363.8743594 494.9145951 605.429372 518.05841 1155.132657 284.7265467 683.1215538 186.2153507 1221.851526 459.0656506 385.3761535 356.4978371 432.1789422 352.5146211 1152.145245 691.0879859 278.5591847 136.42515 1538.756825 333.0375493 169.6024556 516.0026226 601.3177973 635.2382884 472.8310885 422.4642986 553.6670319 192.2161164 527.7761276 277.82932 525.2536657 716.9788903 927.0935373 646.5451188 349.483848 2010.528305 330.6069327 358.4894451 1043.312076 246.6944809 555.65864 503.8768312 523.1978783 829.5047439 130.5424962 1488.727001 341.2606986 415.250274 647.2726093 902.4906428 367.9859341 483.1100252 295.0054835 175.2615065 1522.584338 1456.525331 854.3998443 495.9103991 676.1509257 250.9426116 182.2321346 510.8631543 633.3313531 142.399974 1023.686527 248.9510036 304.2565265 406.0179999 772.7439151 595.1504353 518.05841 1933.851396 1475.781549 396.7669568 204.5508404 284.7265467 990.8894984 510.8631543 1017.711703 553.6670319 509.8516553 906.181653 420.4085113 618.3942929 664.0193112 156.3412302 514.8306754 490.931379 1432.961977 2591.319944 397.7948505 1084.430572 917.9090478 981.8627581 491.9271831 1106.01359 908.6580048 155.3454262 252.9342196 299.7370083 702.051377 220.9971392 453.3011087 224.0808202 574.5925618 374.4223094 402.9343189 424.2125101 1628.139563 697.9398023 108.5426376 189.1324354 476.9901228 373.4265054 675.1551217 568.4251998 630.343941 694.075398 917.9090478 313.5075695 337.5775608 1101.35924 162.3160543 No_result_found_in_bank_inhouse +M605T881 M605.3209T14.69 605.3208922 605.3167174 605.3237191 14.68991286 14.67506211 14.70733591 0 158 0 158 970 Inf 36.79026162 0 1 1 0.463225814 0.203979092 1 638.8222682 295.9189651 0.463225814 640.7407773 130.6977222 0.203979092 0.44034483 0.940247798 9.05E-12 381.3280313 994.0591796 612.7311482 0.085781042 0.084417526 0.828852751 0.079291789 0.82588821 0.609730209 0.26927363 0.560203897 0.251138038 0.559144944 0.609730209 366.3200233 789.9065408 503.7982828 947.547008 386.1177775 652.4894278 595.6080018 1196.817948 583.2039489 340.846779 223.3926539 341.8179092 417.7739954 158.5091614 578.3405861 877.9001784 566.7152166 955.7894547 1022.631436 639.5883761 493.1325072 811.1322995 805.6032482 441.2477205 445.7221484 443.603121 562.3026879 808.1914307 602.1353352 160.0004824 485.63787 637.5452797 252.683118 604.1777468 486.6132606 583.875335 487.4549777 963.5524532 596.6965206 504.9023443 790.3833468 506.370118 895.8706273 263.5244131 929.5220415 791.7955721 751.2120613 151.2003091 1285.196244 282.7627234 844.352705 762.1894328 352.2591376 615.8749553 456.4705929 417.2609879 713.9177814 664.9624553 729.6666386 576.6862396 663.2529936 310.5121865 619.8646186 290.6132144 558.963349 681.4885897 838.7083399 539.4383924 518.501966 848.9450772 519.5792286 525.9440211 477.8260682 485.6707525 445.2362519 620.3193765 831.8544188 1024.094568 1419.164374 464.7175886 932.7639622 452.1433627 567.0964215 950.8204087 1053.555616 342.65542 665.8902223 327.7003997 684.5202511 319.7983903 1123.199202 499.841224 420.3112232 562.9195985 473.2839234 574.2048947 572.2197752 399.2257739 471.8830086 342.309577 476.643575 1158.193093 554.3325269 606.1364998 589.6061898 1445.442835 476.0957411 871.5470291 827.1568134 767.0032811 327.5404821 696.7193087 584.2163747 660.864174 260.8967579 415.5067849 344.4026192 286.6224837 238.3962124 439.3539011 662.8134028 933.713421 437.3424694 No_result_found_in_bank_inhouse +M605T1250 M605.406T20.84 605.4060144 605.4023473 605.4103619 20.83922618 20.80547071 20.86901169 0 93 0 93 538 9.587440293 11.71975681 0 0 0 1.434215091 0.194351076 1 397.7476799 570.4557249 1.434215091 376.1890907 73.11275466 0.194351076 0.135510411 0.88095989 1.34E-08 234.055727 573.8400755 339.7843485 0.488080819 0.478805493 0.715391897 0.474481204 0.695696123 0.895228214 0.398619818 0.158842223 0.393591722 0.151362868 0.895228214 158.0127875 308.8614746 126.41023 138.1148809 1572.718962 616.8351037 354.6866191 65.07170532 119.1453759 411.5097984 526.0726599 202.5471391 227.2927172 75.15323713 138.3919367 608.5579202 141.6262762 169.553035 186.1039497 127.5806951 193.1267402 180.2516242 126.41023 142.7967413 138.1148809 140.4558111 79.73575159 162.6946478 491.24555 226.3762143 184.9334846 262.1198271 191.5491044 263.3546458 236.4339487 145.7239598 183.3005784 541.6532091 83.10302156 71.39837063 171.3860408 118.228873 364.0146437 737.7848279 667.1651026 156.7219945 280.9116222 230.0422259 307.9449717 1859.869032 412.0037125 1189.192534 539.5844076 3181.181538 119.1453759 181.4220893 243.7897692 259.3703184 548.0687293 81.56875738 176.8850581 62.03464989 96.23280365 217.2111854 120.0618788 2350.829918 1356.569042 176.7402289 203.463642 155.6718573 154.5013922 199.7976304 120.0618788 359.3327833 110.0237187 321.8779004 155.6718573 457.6518511 231.8752316 454.5854344 183.3005784 88.90078051 98.31906776 116.3958673 135.7739507 115.4793644 82.48526027 191.5491044 226.3762143 117.0465092 319.5369702 276.7838733 117.0465092 118.228873 342.7720816 94.80767248 138.1148809 60.48919086 275.8673704 279.533382 126.41023 318.3665051 108.8532536 88.95534702 146.3081365 1178.622719 1694.833454 180.5510697 1173.123702 90.12581211 79.73575159 967.9746314 86.15127183 5071.010501 122.8113875 396.7876663 315.2769948 118.228873 292.6162731 682.3811488 93.48329497 813.854568 859.6797126 No_result_found_in_bank_inhouse +M607T47 M606.9946T0.79 606.9946022 606.992408 606.9963666 0.7888775 0.787083333 0.8062 0 313 0 313 [321][M]- [M-H-HCOOH]- 654.02 16 Inf 72.09700302 0 1 1 0.227920714 0.143594213 1 1946.228373 443.5857599 0.227920714 1795.099477 257.7658969 0.143594213 0.630018267 0.930445831 4.59E-11 1279.657993 2317.736647 1038.078654 0.154330904 0.15971532 0.9963236 0.160641204 0.996349689 0.897437208 0.720429018 0.44026872 0.723166392 0.440994795 0.897437208 1949.940461 1497.167808 2314.23288 1845.259819 2400.155303 1481.195762 1106.649364 1708.039243 2436.279911 1259.831906 1370.996053 2252.811412 2096.840328 2619.066468 2143.338085 1263.417721 1686.707945 2080.567996 2816.037392 1793.688292 2038.540582 1870.458662 2414.971853 1456.978409 1933.519467 1984.01508 1589.360988 1241.127032 2666.397267 2032.837062 1727.77393 2373.556979 1781.028509 1718.731967 1927.459958 2025.123013 1560.775758 2342.259035 1375.87248 1325.398084 2084.285961 2727.841247 3193.997341 2181.47294 1669.284973 2093.194854 2778.179733 1797.613582 2218.532468 1429.302996 1670.571905 1577.855881 2251.187274 2130.37811 1770.224861 1805.99672 1834.718384 2181.174797 1945.00965 2327.299565 1773.210631 2249.952842 2153.767842 1851.105922 1948.576166 1909.066129 1819.307759 1699.70441 1695.802775 2225.229772 1519.858512 1583.515979 2587.056594 2059.515802 2082.512254 1706.032965 1361.62555 1224.898049 2666.323998 1951.192659 2388.726138 2725.349806 1855.055783 1781.98685 1746.974484 1513.190048 1083.361636 1517.589753 1850.27333 1869.855023 1983.148193 2469.803647 1747.410702 1571.105606 1768.389121 1226.103988 1060.515049 1820.957682 1969.52594 1281.868018 2118.982257 1393.317511 1525.006608 1657.037741 1769.433832 1614.695915 2590.379369 2502.720669 1880.373185 1875.924039 2387.994063 2016.285714 2407.054936 1163.921782 1775.538161 1884.019419 1994.223758 1515.301281 974.5751721 1581.344823 1687.580901 2046.588471 1480.848276 No_result_found_in_bank_inhouse +M608T47 M607.9978T0.79 607.9977996 607.9943012 608.0020549 0.788879167 0.7871 0.806166667 0 119 0 119 [321][M+1]- 16 Inf 55.40712313 0 1 1 0.327693081 0.262129217 1 355.8307554 116.6032765 0.327693081 306.8849286 80.44350603 0.262129217 0.799922953 0.804941116 2.11E-06 151.8344571 507.1035595 355.2691024 0.249604964 0.251115346 0.858784823 0.251264719 0.860184011 0.896173123 0.406679966 0.83793998 0.410651851 0.837982462 0.896173123 385.3159494 279.8281784 510.9077491 318.271757 277.2273779 312.7405359 163.7110127 300.7912814 337.4657124 238.0868741 274.558493 248.9800415 614.2589677 348.1379564 313.784753 322.1347062 290.9554493 191.6583462 559.7060889 396.3912013 284.2814609 301.6715142 570.9147219 208.7653572 439.6722238 336.6365995 476.8445225 288.0589167 631.7643804 244.6763186 272.4268225 427.8929583 518.3631416 323.7380421 420.3992214 455.0122787 254.5691557 275.7761619 239.4275683 184.599304 287.85796 542.7511233 731.5986815 529.1052981 307.5895806 266.9321124 466.8679056 253.9222038 414.8691071 261.8262148 232.7493195 239.9277327 332.9752276 337.6645515 409.1191575 329.0057691 312.4422466 280.5787833 301.7644477 373.7432029 229.7297322 366.9673627 351.2318563 374.6341575 301.1509549 396.7599262 269.6715887 366.1329261 289.0078304 544.2287071 258.7461862 392.3270731 386.8466574 408.4328503 423.8981326 340.4754054 243.2117963 260.7567278 342.1621297 362.846445 377.4767332 495.8949541 311.4976634 254.4464082 338.330748 568.1862314 474.9816025 265.6354043 358.4145258 516.6277661 279.8805775 298.2459026 455.5334519 267.4112447 294.6674121 341.9167974 200.7793364 411.1789929 203.4530519 334.3869908 569.4718898 251.9533251 272.4193508 239.9008124 272.4257809 250.3979215 651.4776873 343.1090876 362.8204426 161.2182123 480.5809721 395.7793243 415.6685089 198.0593884 327.4019731 276.8724003 374.0244849 184.7465315 200.4500635 355.2192089 327.2176775 297.8267262 442.7690147 No_result_found_in_bank_inhouse +M608T880 M608.3571T14.67 608.357076 608.3532409 608.3587407 14.66809514 14.6492868 14.68166003 0 159 0 159 [323][M]- 20 Inf 43.42504805 0 1 1 0.295042523 0.112925736 1 2034.760917 600.3409953 0.295042523 2033.48885 229.6332252 0.112925736 0.382743934 0.980258556 5.58E-17 1532.671579 2513.532782 980.8612025 4.83E-05 5.43E-05 0.89678764 4.49E-05 0.891405939 0.843428085 0.014731293 0.050187272 0.013839283 0.046960903 0.843428085 2457.64018 2435.605643 2848.138149 3355.207996 1067.241307 1893.293912 2641.908417 3244.106284 3130.78976 1756.125583 1738.405878 1218.533039 1426.243286 1374.773568 2010.464658 2138.434883 2238.241281 2122.978458 3108.965519 3171.686486 2069.938891 2481.210768 2005.870122 1081.78373 1371.219606 1950.981071 1784.034774 2308.954218 1598.49784 1300.156296 1451.268907 2194.856062 1632.041204 1387.422022 1819.515643 1359.599011 1718.571695 1811.833069 2204.107657 1724.731847 1758.520692 2121.101896 2202.061943 1402.893714 2125.878272 3001.444555 1586.795753 670.3307158 2236.907705 1190.581282 1549.306592 2053.392004 844.3845828 2615.109978 1225.331039 2052.716169 1652.079791 1884.884191 1773.635307 2167.739499 2203.542319 1589.010102 3047.858721 1476.12701 2549.502288 2570.618959 3253.454937 1801.158061 2079.058923 2614.511431 1788.282538 2674.587433 2668.831142 2039.052004 1668.795238 2584.902035 2608.101025 2444.234014 2525.064618 1192.77545 3063.597973 2459.695785 1714.315252 2262.066493 2047.72354 2883.084859 2287.299602 2070.546423 1569.96236 1108.850062 1856.225872 1800.970357 1481.54449 2308.2105 2347.756264 3048.434702 1438.840057 1566.843874 1409.38175 1827.170786 1436.486038 3232.098629 1558.944767 1388.41579 2050.386115 2876.162893 2121.507739 2745.090937 1975.890707 1916.833119 1918.990596 2194.658278 2196.595905 2657.701126 1989.666268 1341.798678 2266.919558 1322.511266 827.7135376 1571.888426 2108.874293 2769.322334 2666.958473 No_result_found_in_bank_inhouse +M609T910 M609.3216T15.17 609.3216135 609.3193857 609.3238645 15.16788484 15.14903084 15.1823844 0 217 0 217 [322][M+1]- 7 Inf 100.5703235 0 1 1 0.103873339 0.092271399 1 1444.26894 150.0210376 0.103873339 1452.401034 134.0150748 0.092271399 0.888306848 0.920323222 1.95E-10 1067.757385 1832.424656 764.6672705 0.527638918 0.52026086 0.715391897 0.522077241 0.695696123 0.930722271 0.411681767 0.280532147 0.417402015 0.28119371 0.930722271 1339.126901 1269.242501 1237.819112 1404.783704 1389.758582 1452.603203 1240.801437 1325.287174 1380.17133 1367.39316 1541.603111 1351.035806 1337.068068 1274.170313 1606.951286 1243.198386 1735.80051 1392.466726 1207.484289 1505.97155 1384.157216 1489.057515 1303.17039 1361.566724 1289.16149 1329.210322 1997.797153 1753.337614 1340.44831 1253.624353 1473.713678 1296.224866 1487.617338 1362.912078 1635.052389 1402.649269 1380.069322 1298.885267 1471.80965 1422.93498 1685.296625 1509.567454 1650.269425 1687.974286 1283.837098 1611.789744 1373.336706 1381.62127 1306.716537 1313.127612 1532.558952 1054.172268 1262.241474 1398.544176 1375.168383 1679.645193 1560.856278 1389.972003 1514.29717 1331.018374 1340.626782 1206.42078 1395.130374 1544.440666 1331.003031 1559.379101 1125.774126 1467.475958 1466.132086 1471.585598 1318.000512 1396.909036 1565.620619 1584.513178 1302.710973 1698.374915 1454.076611 1316.291013 1336.037977 1429.336358 1478.671044 1457.557576 1445.173548 1389.391376 1535.018435 1355.262729 1408.868744 1443.299803 1503.664687 1595.963536 1701.545806 1469.236674 1294.912884 1386.599693 1497.346688 1437.045564 1392.72858 1279.457445 1306.869148 1512.445642 1702.681045 1289.541649 1505.249359 1421.474471 1608.487379 1186.114564 1399.763493 1311.425326 1546.892321 1426.78803 1694.058815 1460.612369 1545.407672 1676.121282 1402.66204 1453.54966 1447.594012 1205.655568 1487.54067 1534.290477 1121.276061 1452.867044 1220.517974 No_result_found_in_bank_inhouse +M609T880 M609.3604T14.67 609.3603579 609.3578143 609.3635729 14.66707491 14.65391137 14.68249623 0 182 0 182 [323][M+1]- 20 Inf 42.83648621 0 1 1 0.315349346 0.147107786 1 714.2107782 225.2259015 0.315349346 698.3508312 102.7328449 0.147107786 0.466491491 0.981166491 3.34E-17 523.072584 992.2411172 469.1685333 0.000237133 0.000234065 0.828852751 0.000236489 0.82588821 0.895228214 0.017205006 0.071347289 0.016877256 0.070857275 0.895228214 482.778876 797.744893 957.523099 1212.032628 408.2900753 636.18454 894.3980916 880.1470307 998.8037528 883.735795 604.1893537 495.3951757 633.5716442 380.538487 562.603387 547.574045 952.7968535 715.6632682 1039.172142 926.1221996 690.9520618 1059.336857 603.4159903 717.9691176 469.2107103 503.8528745 667.5186245 695.941963 678.5252141 551.0516693 617.6833735 808.2207718 349.2578738 436.1847854 721.2953411 561.3787516 686.52882 697.4301176 900.3591994 528.7192714 524.1617171 698.780384 540.2339086 516.3015744 709.1572415 983.4081358 705.7742354 150.7799998 640.1144454 397.110749 440.8319709 980.8799705 505.8792723 1187.501895 407.6669751 732.0420223 482.494277 526.112449 627.8393194 636.140088 646.5399871 612.1226143 1181.757996 576.8229399 1023.474227 898.0293584 846.7996721 613.1332427 686.9699439 761.0970457 440.5734744 818.0874692 814.7305824 978.8950725 813.3310384 833.2240731 940.4413635 958.2687696 926.6677677 501.4719863 690.5582397 897.2146529 645.875009 1082.732761 655.5815801 813.2142226 850.0528885 910.400745 889.2734618 459.0411231 566.1876309 639.8087263 830.0599119 885.6165355 750.713211 875.74483 468.5607503 541.3604042 549.2677166 782.7980155 534.1049765 1008.043696 664.1698027 623.5736997 370.1260753 944.3392288 572.9162685 778.4877518 558.5364521 702.0796005 811.204423 702.3287679 855.6342153 671.0871312 542.2203792 461.1854522 575.4864275 475.1985412 377.2438793 434.3634781 719.6768652 909.3841362 643.8749271 No_result_found_in_bank_inhouse +M610T910_1 M610.2664T15.17_1 610.2664436 610.2632269 610.2697209 15.16707384 15.14763224 15.18658699 0 212 0 212 [M-H-CH2]- 625.296 7 77.02320019 53.96055711 0 1 1 0.184764706 0.150793577 1 466.523795 86.19713177 0.184764706 480.1368411 72.40155168 0.150793577 0.81613843 0.906290917 1.09E-09 326.9392085 682.1499008 355.2106923 0.975939116 0.975977533 0.907981747 0.975955476 0.905542086 0.970545484 0.878882639 0.825522489 0.882245831 0.826905887 0.970545484 470.2029863 492.0541338 413.6001277 401.8153971 463.5890468 366.8263859 432.7923732 667.4739009 494.2882472 356.2945326 484.5530841 446.0543922 739.7537761 368.2693491 364.1955619 378.9290775 347.2950266 479.4611837 706.6655954 595.3490534 611.1993594 550.4596066 410.1837888 415.6160042 453.3622017 387.1400062 414.3337916 551.5510757 615.2071531 452.8797172 384.2388268 644.5669384 533.5926818 521.6819383 605.8298688 405.9299153 440.6023765 408.6113631 651.9099354 520.6252119 443.3367584 451.3239586 516.1488202 478.8008328 327.2067894 429.1747086 693.5825426 468.9519024 540.6746657 508.083341 527.5452879 415.723787 501.4611179 520.5445585 511.3631264 403.4714273 480.5191423 495.8308418 511.0213162 491.127477 323.6705745 639.526837 431.0253078 444.4363862 452.531067 386.6445005 441.4593387 411.9158816 403.3979258 507.3040318 397.5745388 412.6170116 447.1916533 441.818875 594.6029651 381.5164175 445.9541444 495.9073106 508.8932844 476.4056115 465.3739514 429.292809 345.6645379 475.7495763 567.8027411 385.7868705 442.041862 658.8533051 534.2692954 454.7476696 543.15515 526.1745539 394.742075 424.4446057 467.6652315 416.0711182 463.0011813 399.8541489 446.1784042 430.5441072 329.7390375 606.4183769 561.2437686 610.1226714 507.4392916 427.7746413 392.8283612 494.4776092 488.3384767 502.7145658 364.2301819 503.4074081 360.1618478 413.7654158 323.0667937 476.9662128 565.7740568 343.5796637 480.1044583 526.840622 371.5960026 499.7961086 453.474249 No_result_found_in_bank_inhouse +M610T910_2 M610.3241T15.17_2 610.324063 610.3208399 610.3286558 15.16753234 15.15020033 15.18380885 0 184 0 184 [322][M+2]- 7 68.39942597 47.56594636 0 1 1 0.238190371 0.223813746 1 431.1050052 102.6850613 0.238190371 423.7991966 94.85208558 0.223813746 0.939642288 0.863550432 5.52E-08 255.1292469 644.876009 389.7467621 0.975939116 0.975977533 0.748298881 0.975955476 0.735276384 0.966714196 0.356576048 0.902592752 0.362475693 0.901901873 0.966714196 456.3670162 543.8266545 417.615109 349.4942421 318.161836 289.2673873 376.4079783 754.1246957 371.8457729 484.5454449 390.1543675 461.3388991 788.2008556 409.161606 403.0864376 401.3466483 521.1021653 308.8537786 680.6103857 348.8572642 632.5408801 542.1554182 370.4657711 423.136203 486.6328769 380.5662389 436.4544865 455.3755649 649.960422 477.768388 330.9293425 372.5346911 316.8772069 246.9197652 622.0554324 427.9942891 462.8942372 586.5020783 452.4803428 491.1634331 397.1322321 458.4132862 552.6953643 501.1899152 323.9367857 323.8445091 413.7998757 516.0449883 439.4430827 419.2682929 318.7157201 533.0390797 396.3856419 373.019301 554.3272129 429.0118025 424.7499586 533.6111912 445.5059963 427.6709015 354.5978471 632.6599202 454.4149568 294.1633714 303.5561037 372.9872246 344.5879155 274.8493506 390.3929712 471.8419303 324.8932764 436.2608353 284.601924 454.3716409 425.8383501 464.5458127 398.6691828 430.5937161 481.8433661 361.2220902 421.4117377 389.5814394 418.3495487 516.676869 305.7510688 407.1622133 333.4382724 697.2806524 577.0426746 358.5560385 398.6883255 599.8901257 423.3989641 404.6038087 420.7579364 391.5279516 348.1578747 303.7741867 295.4942595 498.2480949 354.3914385 612.3316042 334.0167585 584.4691833 544.6737928 508.8428051 390.426573 429.9831678 416.3633775 308.3367397 422.5579788 471.5509387 245.9079353 304.0660166 371.1018977 351.8713245 517.4824319 410.1968658 344.6029663 298.5022738 413.5813255 339.8378917 476.8786347 No_result_found_in_bank_inhouse +M612T999 M612.3881T16.65 612.3880763 612.3858763 612.3908852 16.64943863 16.63453366 16.6666489 0 91 0 91 [326][M]- 39 Inf 42.42183776 0 1 1 0.320204364 0.160132219 1 941.4048329 301.4419358 0.320204364 900.2462534 144.1584305 0.160132219 0.500093807 0.930721278 4.40E-11 603.600774 1233.417936 629.8171621 0.013106231 0.013326359 0.828852751 0.012403818 0.82588821 0.765470316 0.639781915 0.050187272 0.62711596 0.046960903 0.765470316 926.1470809 1085.417836 1076.375994 968.7652925 474.4141842 764.1953716 941.6321637 1063.716293 806.8983621 792.8593226 777.479222 718.7810948 680.362745 531.3866185 587.7980297 813.0886978 591.8987659 725.175594 1369.312442 1496.908329 653.9178854 1510.830616 675.684529 607.4836442 948.6681727 1118.625322 1276.896955 1293.478607 780.8555113 611.289215 1106.691674 1327.342352 492.1629153 826.4548274 777.0108548 1157.998035 856.6530501 887.3196776 953.2101812 1062.955746 1177.394273 872.5908062 1442.168466 911.9732558 1467.330608 970.4632845 786.1831544 873.8693367 1118.156958 434.7805061 1026.505813 1167.515591 410.045525 1013.463684 784.2081275 630.3944547 383.0798999 1054.490536 1142.779936 1457.560462 801.6660059 1503.104487 924.511845 1276.276998 938.1192916 915.7264832 1476.012959 440.7996312 1057.491242 942.0406868 604.6464354 707.3721608 998.2835727 1209.324291 555.4682473 853.0418403 705.9129294 1362.901376 1182.565215 841.5013557 1320.74316 722.9549166 755.3319056 797.7483415 1375.674824 1030.288766 1230.401429 898.1639136 819.8414547 842.4965452 1439.857718 845.940675 454.8598391 665.5932221 760.887762 816.7235363 906.4502826 936.1616485 653.5907059 741.8873556 1046.372896 570.5507861 714.0486604 944.5838171 917.0715882 1220.862244 852.9045138 1236.9476 962.0272915 1278.60001 977.9936583 1703.017977 972.896171 1150.586995 1005.64286 853.1555713 691.7015534 489.8237961 524.4643542 642.6280313 569.7192334 1234.015991 489.2133978 No_result_found_in_bank_inhouse +M613T910 M613.2637T15.17 613.2636654 613.2608757 613.2653652 15.16759 15.14903084 15.18152254 0 173 0 173 [325][M+1]- 7 Inf 94.48886893 0 1 1 0.117090309 0.075046775 1 3038.068036 355.7283251 0.117090309 3012.686712 226.0924226 0.075046775 0.640930713 0.961359068 8.26E-14 2475.369838 3598.012421 1122.642583 0.633583193 0.633205829 0.828852751 0.631314496 0.82588821 0.877941452 0.581407636 0.776961451 0.576933566 0.774092083 0.877941452 2833.78884 2743.649155 3459.985839 3175.756204 3159.386959 3468.936518 2532.01196 3133.029956 2560.635034 2966.790574 2472.135305 3855.646568 2699.271796 2191.927783 2504.828823 2967.569073 2231.026472 2559.466963 3028.482429 3172.422707 3045.472951 3369.316682 3639.716984 2751.162757 3430.335561 3565.412374 3112.026812 3036.797644 2735.258738 2047.07788 3012.708484 3645.082843 3018.051558 2826.678284 2966.295996 2616.18521 2906.246588 3179.929253 3284.669843 3036.758571 2541.779188 4010.452481 2916.759436 3419.531772 2983.17485 2777.912017 3031.267766 3138.840905 3282.492238 2786.58623 3134.492 3021.696121 3001.255574 3489.54504 2900.492453 2711.567659 2478.50878 2974.965339 3011.970658 3241.628915 2794.097131 3129.68757 3107.618663 3439.700262 3174.023007 3225.254019 3560.448307 2737.64742 3363.56036 2875.671959 2338.062656 2961.942085 2460.303933 2710.969086 2874.970364 2932.607624 3211.702615 3580.795108 3242.840977 2920.633836 2800.868528 3561.400317 3311.716061 2949.774541 3409.354005 3315.95303 3614.716673 2918.407474 2660.365578 2894.63602 3019.507268 3130.271329 2488.115239 3408.231068 3114.923238 3033.71081 3058.661635 3702.235518 2444.164526 2951.029127 3158.184852 3199.691732 2987.047085 2878.423242 3846.497485 3472.281531 2628.374462 2771.886283 3234.854622 3014.664478 2970.614896 3434.895955 3541.35318 2964.217668 2936.756812 3189.810985 2719.053878 3053.262574 2734.506263 3448.845718 2902.759685 3047.065847 3031.763702 No_result_found_in_bank_inhouse +M613T880 M613.3339T14.66 613.3339282 613.3311044 613.3362058 14.66020322 14.64487302 14.67406588 0 98 0 98 [328][M]- [M+Cl+HCOOH]- 532.363 [M-H+NaCOOH]- 546.355 [M-H+HCOOH]- 568.343 20 Inf 32.00140692 0 1 0 0.581252982 0.114947986 1 5331.452671 3098.922761 0.581252982 5136.685827 590.4516921 0.114947986 0.197758962 0.979106758 1.04E-16 4118.131408 6453.132106 2335.000698 0.00693896 0.00706971 0.907981747 0.007044694 0.905542086 0.895228214 0.207529252 0.129234825 0.2042396 0.126880573 0.895228214 3833.000828 4299.533182 5195.989385 11623.5544 876.2034163 3533.964186 5488.594534 9707.649791 3468.598599 5327.638683 4568.128259 4130.529538 3911.22719 1713.173844 2757.37493 4969.511913 3040.36939 4034.962001 6765.329887 16340.51808 5188.180438 4599.903834 2633.36506 3697.389293 3495.468986 5432.226865 10462.13034 2637.273419 4741.155799 2182.963735 3648.228664 5289.411668 1585.415137 2333.354663 2648.818868 1690.03644 2825.781167 6153.543396 4926.650309 4108.029386 3113.489751 5413.146479 8345.444311 2058.22295 6263.649129 6154.54937 3742.896824 2429.427383 9359.582762 2253.3131 3485.283224 4179.691279 1382.612944 13770.77907 3628.548476 3370.838365 4053.069534 8891.804818 4642.57034 7412.016959 6435.216136 7771.991761 8844.524037 5914.121567 9875.64746 12426.79771 10206.77347 4911.351169 3567.184058 3447.012656 4044.311915 2622.574405 3225.152873 11224.48469 4261.081533 4462.363512 11294.64283 6492.880228 13426.73593 4667.719692 3990.699142 2682.932849 5297.293283 6411.072758 4709.141481 6471.431202 5414.152453 6858.73122 3857.910564 1410.233489 5935.867881 2162.844254 4020.657166 4652.630081 12497.21589 5566.413172 8588.394941 4063.129275 3983.657323 7412.016959 1854.129043 7544.310028 4249.469741 2983.379592 2527.625827 7548.829433 1672.308009 5891.990137 6818.492257 4207.524933 5957.378452 4370.228979 2916.318833 7513.62034 5227.041276 2766.64673 3237.224562 1570.325526 3630.389314 3808.227138 4187.87006 7363.730204 4991.643343 No_result_found_in_bank_inhouse +M613T999 M613.3915T16.65 613.3915428 613.3874387 613.3960618 16.65117327 16.6356198 16.67143883 0 108 0 108 [326][M+1]- 39 21.05718908 24.91398841 3.67E-12 1 1 0.338548597 0.18524307 1 336.1800578 113.8132871 0.338548597 323.9783437 60.01474301 0.18524307 0.547168328 0.944009719 4.50E-12 212.6555712 446.2636791 233.608108 0.013518292 0.01337567 0.828852751 0.013677833 0.82588821 0.930192719 0.413870709 0.064127356 0.41954487 0.061313842 0.930192719 325.1291617 287.2104755 280.4453737 523.4633394 221.8738138 286.8178824 156.8255235 318.8916096 431.6110581 261.2912283 298.0662008 335.9144853 246.4002718 203.3985417 250.7353117 283.0896018 125.6124843 400.998467 352.43821 596.7882787 293.2078454 411.8897947 178.3834551 276.5305254 306.5148873 412.2035578 469.7142432 383.9019653 379.3299083 163.2146004 342.721592 373.0937366 342.4236175 231.326973 274.2041732 448.1615762 242.0178353 386.1059072 283.0412163 387.7883623 365.6788658 266.3610122 196.8907199 324.8952967 315.4756966 468.9128099 231.1765865 348.3610958 337.026213 232.7158499 433.4006141 337.2838879 229.9736386 476.7718231 363.7513595 325.4740457 203.7708113 471.7570567 411.6353294 301.0792749 210.3632772 511.9284974 364.0388617 453.3560415 354.8490115 388.663283 426.9889441 217.2402905 350.7122414 272.4881735 156.9992919 317.1842644 258.7265482 387.2746389 267.7049765 332.10746 407.7496739 745.4890804 530.7145998 454.1763221 311.110095 263.6245982 227.9617613 384.6571703 429.4121454 344.7883017 549.9258616 388.9769559 233.421085 250.6631195 334.6457403 275.2462116 72.6451562 351.9880081 372.4305555 320.588689 238.7759082 346.3837465 267.0295761 212.5888477 205.7812246 300.8464271 245.3379852 243.9862908 231.4583994 281.6402524 254.2733637 342.0423101 487.5271041 430.5371009 270.2253342 427.8849465 608.4335323 404.9882616 412.4272619 407.2337914 220.9185985 215.7699126 155.9615239 256.164516 263.9574828 477.6755044 331.9119342 No_result_found_in_bank_inhouse +M614T910 M614.2645T15.17 614.2644844 614.2608409 614.2666428 15.16784558 15.15045751 15.1823844 0 173 0 173 [325][M+2]- 7 Inf 82.84938181 0 1 0 0.159446728 0.142249177 1 960.2912225 153.1152937 0.159446728 935.0621728 133.0118247 0.142249177 0.892142339 0.920244663 1.97E-10 653.3544672 1266.104218 612.7497512 0.340590989 0.342830056 0.849490456 0.34379905 0.847427448 0.896173123 0.448317409 0.840052954 0.448648926 0.839627925 0.896173123 753.4886926 1120.470802 1188.71151 1211.389889 994.8483974 1096.381621 709.1587354 1152.889487 941.1549503 734.4858331 1097.169872 1140.73248 962.4297124 1159.981074 886.4484193 835.7942239 843.5181999 725.3680779 670.9183367 1106.371883 761.4008275 752.9351621 1007.130601 749.8458238 1242.398909 1092.472007 936.0895308 874.2063042 910.7624331 832.7549722 1064.463649 942.1680342 886.4484193 855.1406027 934.1716153 816.5456296 953.3119572 1421.356723 1124.43896 956.7205954 965.4689641 982.6913905 857.4468078 906.7100974 988.1735084 792.2316159 878.8313992 924.9456078 920.8932721 950.1037907 864.6836695 1184.486467 858.7552172 1193.412843 773.9961055 994.599148 753.7344274 859.0951538 688.8970573 949.2596216 903.6708457 959.7173974 838.8334756 1113.379215 1107.300711 891.5138388 949.3955267 825.6454921 842.8858112 960.8016391 968.7102893 913.8016848 836.8073078 1056.751252 1034.365377 983.7653816 905.2390362 939.2110728 1002.953069 781.0876929 875.3044963 1063.738103 813.6195336 905.6970135 931.1632729 873.2783285 1449.723072 1213.674521 804.3886228 865.1533253 772.2768213 1053.607264 616.2230653 1051.581096 916.8409365 830.7894218 886.5921861 1056.646516 669.648463 966.482048 778.2114533 945.6176087 976.9873176 787.2587948 902.2194206 1077.921278 886.3048544 1132.627809 1208.609102 713.0272636 1105.274543 1095.236606 1060.698851 941.1549503 1287.629647 735.7446651 748.6690078 1359.558604 805.8497149 916.7305769 1038.411005 1164.03341 969.5212997 No_result_found_in_bank_inhouse +M614T880 M614.3366T14.66 614.3366071 614.3330611 614.3403661 14.65902934 14.64474419 14.67394827 0 137 0 137 [328][M+1]- 20 Inf 33.12286285 0 1 0 0.555376492 0.198423254 1 1203.713136 668.513979 0.555376492 1160.349741 230.240371 0.198423254 0.357277012 0.965435027 2.47E-14 663.2982209 1746.846701 1083.548481 0.008737071 0.008838038 0.828852751 0.008408557 0.82588821 0.895228214 0.157056109 0.140155645 0.154524572 0.133501766 0.895228214 985.4831356 1145.711112 1524.58306 2612.570343 246.0242191 673.6777929 1100.41795 2084.514827 689.6913254 1313.501688 1154.975622 879.0990923 600.1343921 295.4349409 909.9807935 1032.478208 800.0003835 885.2754326 1659.975701 3180.727699 1098.053815 1026.791891 749.0279849 984.5940914 900.6193881 851.0981009 2076.279706 758.1087826 1097.32978 759.689848 1040.242307 1143.652332 369.5510236 507.7684139 652.2978379 386.0212642 724.6905867 1213.650855 862.3126235 874.216669 651.603894 917.1865237 1748.054082 457.0491768 1134.744918 1708.787463 673.9930593 606.3107323 2056.721296 482.926236 598.4151863 784.5074666 271.5099227 3010.965861 1065.418689 601.6558086 1168.357693 1712.905023 953.2151751 1581.143098 1491.586165 1505.021658 1892.01889 1146.740502 2446.86012 2676.414098 2667.033085 986.5608857 976.8911459 840.549585 894.634333 592.9286618 882.1872625 2344.52293 1177.643145 830.3500873 2214.435558 1494.931815 2689.796169 1028.360648 903.8044533 584.6935415 1139.400632 1473.057144 1059.995493 1179.680983 1108.653071 1553.349567 1104.535511 262.9346181 1549.632485 470.4312473 637.0761094 1264.090967 2371.714647 1315.238941 1967.962594 1126.152701 858.5112916 1548.202617 402.6530211 1584.656389 1191.317441 811.3746354 735.3757772 2008.339964 344.4204635 989.2438264 1665.553081 1020.0653 1432.910933 1174.239396 634.1042633 1834.373047 1282.619987 595.7008798 966.5972456 445.7258864 777.0657356 839.7066914 833.8059307 1815.844027 1067.477469 No_result_found_in_bank_inhouse +M615T910 M615.2671T15.17 615.2670809 615.2602659 615.2729844 15.16751982 15.14575214 15.18620569 0 100 0 100 [325][M+3]- 7 Inf 65.02861922 0 1 1 0.252211656 0.219009842 1 241.5680886 60.92628772 0.252211656 239.4193968 52.43520432 0.219009842 0.868357337 0.883032918 1.11E-08 144.1635439 374.834322 230.6707781 0.830550204 0.830115384 0.812332331 0.832691108 0.810685871 0.933686579 0.639781915 0.613010568 0.642958223 0.617404813 0.933686579 330.7499912 210.9882977 332.1428439 248.520037 211.2743066 214.6344188 177.8351489 244.0271628 168.1746466 90.47385399 239.304113 261.9342225 147.8294061 158.4804111 342.7242102 273.4899653 182.0199592 246.2676497 181.1584844 237.9715069 178.7230596 223.7417062 215.7275905 278.49286 201.276134 223.6607307 415.4618932 228.8481911 246.9088432 200.7769714 189.1625029 263.7153651 231.1365486 261.5692431 165.8568033 258.2861475 281.3029503 222.4203599 261.9447398 215.1936985 176.9491568 225.0363251 229.5933708 245.8001729 196.0552474 221.841794 192.3120511 207.2122184 263.6553699 274.4195729 351.9467536 317.540782 213.3394735 309.6933316 191.4912977 277.6034947 188.4373407 223.8785775 178.4442096 363.4330816 176.9714337 269.5219534 274.9115811 223.1527824 277.0724559 241.9866464 211.1089071 273.2519249 295.0598471 199.6571147 89.46739287 377.2950793 218.347017 225.5623686 200.9104599 343.9283063 335.5246497 254.0336437 224.244868 190.8495357 143.8881216 277.2622187 190.2624441 225.7379496 289.7207964 237.0856905 266.7459844 199.6825505 234.3359235 298.8242309 214.1304347 374.8270411 170.8182577 189.3383063 269.8427604 187.826718 211.6265702 307.985032 217.8459664 211.3106614 223.8742543 140.1006155 250.8120339 154.5796923 224.0708799 259.9608327 205.4310542 287.4975611 480.5598619 256.2358991 181.3927348 216.6482691 186.7697362 232.9565317 170.3655631 228.8952015 228.3341761 173.2174576 210.5864195 238.5718426 236.6824306 292.3292344 319.9095759 No_result_found_in_bank_inhouse +M621T47 M621.0102T0.79 621.0102021 621.0087226 621.0115236 0.788880556 0.787083333 0.8062 0 311 0 311 [334][M]- 16 Inf 85.35703884 0 1 1 0.170413458 0.134888059 1 4529.700257 771.9218836 0.170413458 4111.43637 554.5836733 0.134888059 0.791534079 0.941516651 7.19E-12 3107.643881 5338.301903 2230.658021 0.487995979 0.485956908 0.828852751 0.484688806 0.82588821 0.895228214 0.453678077 0.949139883 0.456294275 0.949936104 0.895228214 4619.390667 4563.857056 3776.049908 4191.453212 4535.865913 4217.628776 5798.992685 4919.684046 4507.966896 4836.645749 4818.235661 5228.188845 4917.729385 4164.676025 4656.877763 6000.193521 5067.228574 4352.362947 5159.183909 3816.796347 3996.537444 3097.929713 4401.922784 3770.478853 3285.823245 3924.632605 5150.092552 4577.576368 5392.75879 3702.305793 3898.496731 3654.662218 4512.471029 3818.735799 4587.387733 4209.103564 4403.38174 4544.278407 3276.124605 4643.303058 3959.050788 4361.683034 4906.199884 4927.243699 5810.926802 2992.482489 5198.16177 3916.304046 4976.248507 3301.954864 4275.53024 5057.951985 3756.573996 6973.076015 5661.790384 3147.743632 5156.903929 5110.437123 3981.588312 5806.342392 3748.98898 5744.363396 4837.878371 4226.394312 4421.21423 4345.945028 3346.849544 4284.76779 4239.884611 5642.130538 4437.486323 3457.339651 5586.407494 4727.322748 5085.47154 4467.488922 3972.340535 4409.22517 5686.96041 6379.615212 4610.882844 4085.070614 5310.588686 5267.12115 3586.542059 3941.6764 3796.686418 4580.493408 5467.023942 5602.931362 6077.214176 4521.339338 4391.293534 4190.22266 7014.670386 4438.838525 3193.626487 3823.811284 5880.411818 4904.574637 3876.468419 3407.197928 5645.661944 4575.879516 3277.39397 4943.002075 4995.22077 4747.286042 3786.943613 4773.988202 4737.513631 3878.657114 4583.343028 3699.732346 3569.5335 5436.895869 4127.21719 3985.823802 4066.450191 5377.052156 4670.254478 4795.755196 4211.167664 No_result_found_in_bank_inhouse +M622T47 M622.0134T0.79 622.0133844 622.0097711 622.0159747 0.788883333 0.787083333 0.80615 0 267 0 267 [334][M+1]- 16 Inf 70.68553918 0 1 1 0.224100023 0.176140844 1 748.4242568 167.721893 0.224100023 679.104247 119.6179955 0.176140844 0.785992086 0.873796585 2.46E-08 415.1276356 972.9757037 557.8480681 0.394455656 0.395777908 0.828852751 0.3923586 0.82588821 0.858832892 0.448317409 0.838977714 0.448648926 0.837982462 0.858832892 639.2632216 1084.650556 580.3286237 592.5110097 621.1708547 646.9044611 787.3561682 838.8738441 831.6400435 588.038413 615.9883799 700.2629958 724.9781642 695.7206243 645.5137491 794.9008745 801.4629648 670.1220799 1024.359325 829.478648 771.3832108 678.086956 648.6864826 568.3255263 573.0414064 469.1464821 1073.516189 940.6766256 898.1385551 755.1076252 543.4676878 816.4493272 658.4285803 671.9479309 765.2396348 743.9240035 599.1965593 832.0260715 466.8127727 568.4775057 572.1026038 737.0562508 593.8748452 848.3814703 769.7848538 447.2481997 931.6908721 701.6993958 657.2429733 476.5658758 719.4738611 702.0245493 449.6855262 985.4145018 844.2462661 662.2016918 844.1438096 857.56653 685.8601528 859.7927906 541.7417735 780.9684138 803.9813222 838.2368313 1051.656979 587.6896697 422.6525904 858.621491 559.9002267 1034.652304 806.319714 592.1171737 907.362324 865.0980914 675.1530698 646.4898901 542.6561135 933.8207559 970.4021154 900.7463745 785.2941398 836.3153551 502.7048788 760.0964251 560.7528816 686.481786 622.5539376 647.9365049 859.0080336 1056.514383 1054.845947 781.5025586 715.1176119 753.0557977 1084.297013 654.2701546 563.9419265 824.0368552 965.1082108 702.138712 572.1203288 500.4280451 850.1959484 975.6117489 548.3546233 794.6880323 736.2797218 456.7957874 720.5493733 877.6468111 674.8609646 829.1735263 797.0037369 543.8014766 540.8505828 1014.439656 589.1539257 600.6233645 717.1724449 806.9663818 717.6866411 1014.768917 732.6108741 No_result_found_in_bank_inhouse +M624T910 M624.292T15.17 624.2920049 624.2898197 624.2949286 15.1684395 15.15201353 15.1823844 0 201 0 201 [336][M]- [M-H]- 625.296 7 Inf 64.57136004 0 1 1 0.14361833 0.129772221 1 883.141838 126.8353556 0.14361833 870.7729754 113.002143 0.129772221 0.903590937 0.905100023 1.24E-09 583.5894536 1118.486781 534.897327 0.869499209 0.869846962 0.83848691 0.863835953 0.829064412 0.858832892 0.655918506 0.970576845 0.651421769 0.96975003 0.858832892 758.1562151 831.8925421 875.974258 905.0882189 756.4741964 797.9738167 812.8669908 955.4105236 965.7879254 867.6171035 924.272145 1058.459837 1108.454354 754.0353412 874.5998708 902.8287652 789.914047 977.8915485 739.3028789 699.4256773 724.5356562 1116.243358 625.7497753 958.2334132 966.4394499 956.0280081 839.6804201 914.1922565 842.2401641 1011.851125 865.6335052 864.3280246 1023.413119 797.7732567 726.3552276 907.2384867 861.9894837 755.292626 996.898843 732.4333021 826.5932041 1041.848497 962.4058146 993.7667979 559.7990277 958.077296 849.9088891 1037.35287 939.0560354 844.0170984 833.7662601 846.1794949 840.5212957 750.5016412 950.9619431 929.2537993 644.503326 881.2751988 829.1376884 774.8848303 908.1397122 920.4677489 902.4531865 877.984327 798.9079653 1029.601583 774.0093262 971.7302713 754.6761181 644.6671198 733.4819661 946.6775689 722.1010865 1044.825746 662.8097409 779.8688007 890.5765786 871.8272023 822.413824 876.0256956 981.7844904 1023.81651 1066.09052 971.7415411 795.7248767 1142.283826 896.7096487 980.5788476 1213.997246 735.6832367 1030.933267 771.8535593 884.7042804 919.2947228 846.3152608 922.6792254 851.4062609 1020.14485 872.8282885 776.3483695 680.1499571 855.9990122 724.2141624 867.1049897 715.8068129 724.4907452 968.3771378 723.5433847 807.0219987 854.4548934 1032.579145 774.9113426 819.581135 904.9887977 798.8472627 827.8229271 789.9552176 702.0271828 840.399186 911.0170996 939.0025645 856.5462584 933.1999696 No_result_found_in_bank_inhouse +M625T910_1 M625.232T15.17_1 625.2320313 625.228305 625.2353633 15.16745954 15.15039854 15.18218899 0 216 0 216 [337][M]- 7 50.20449653 57.09427117 0 1 1 0.162087727 0.133751761 1 620.869125 100.6352654 0.162087727 614.7148034 82.21918733 0.133751761 0.825181295 0.898816038 2.44E-09 441.7857742 793.0854292 351.299655 0.919528832 0.918758244 0.864302739 0.917336466 0.863226859 0.858832892 0.720429018 0.985634515 0.714964537 0.984814989 0.858832892 519.0324668 525.7888594 565.578349 615.2022169 880.6995484 547.5149457 554.6524333 572.9302722 684.3688908 655.962705 525.8901992 731.9149777 649.449616 532.1823641 574.5020999 694.5464762 574.9653783 543.9256308 604.297075 559.0453248 623.5988167 585.3083325 752.3039879 588.789661 662.6902422 682.9341095 799.2773839 817.9637804 765.2654424 606.484988 604.452874 616.7020357 631.5019343 660.2001393 708.7734196 596.16593 638.9580433 659.4852743 580.892608 645.1340289 622.8938022 761.2641166 516.0925846 754.9323354 695.140183 738.2131097 719.3177773 684.9873909 735.9706694 602.2365334 603.0314545 604.7099445 607.948414 602.2975466 529.534124 572.3878191 597.9088729 491.200838 635.4310399 581.5183303 667.1081164 706.4963253 615.2188519 550.4771711 522.3741054 579.8961752 614.2834963 565.0804709 608.0131529 584.9401577 490.5270957 666.1641287 604.3785705 518.1721496 506.3546216 722.6090113 524.0928044 642.9247095 479.1379913 596.267558 756.5772492 653.7886751 520.4116891 648.6767276 660.4059519 611.0154124 591.8719679 503.5303132 718.7280636 410.9250841 575.4914451 603.7924008 381.3033694 792.4028212 518.8475937 495.9858566 570.0094793 675.2276674 524.5831652 480.28372 719.7772828 477.270179 573.6051839 656.7051002 701.048466 534.4641104 582.6132481 791.2104431 690.594211 791.5207982 481.7666516 553.3089298 531.8406426 533.8448109 635.9549066 647.6881682 557.9506692 820.7251642 858.2763517 503.1869129 550.504487 596.0695109 900.6100835 No_result_found_in_bank_inhouse +M625T910_2 M625.2971T15.17_2 625.297131 625.2920554 625.3021005 15.16827776 15.1486717 15.185802 0 109 0 109 [336][M+1]- 352 57.67453294 43.42364031 0 1 1 0.1989506 0.168502118 1 357.4324912 71.11140862 0.1989506 345.9488368 58.29311172 0.168502118 0.84695456 0.831450771 4.82E-07 224.0154246 507.0660311 283.0506065 0.838093795 0.839933401 0.943266674 0.839651353 0.943247809 0.897437208 0.883913615 0.967325317 0.885434201 0.967884037 0.897437208 356.2752966 305.6243648 309.2256973 352.5002807 292.7332934 328.6582434 303.874802 310.3250607 269.0282674 293.7322931 435.8420422 292.2900594 343.275432 379.057905 418.3739437 536.2963641 539.5057997 307.0724894 432.8421372 389.1700655 361.8972495 288.5858534 356.544019 385.9009325 312.1414562 277.7732679 404.3241935 338.1388365 315.8357274 272.5297288 337.7084679 371.0424696 484.0815584 293.0828286 363.0554682 499.6984316 502.9215076 321.1422959 202.3562797 437.1235584 257.958477 296.3985404 306.7416624 302.8361641 403.2620336 348.5798037 399.4939045 291.2019684 361.2584364 320.5755097 265.8622601 372.9330075 385.2821298 232.4092825 223.3534878 212.0595686 305.8193572 369.448804 373.4666637 532.6459553 420.7237589 365.3045862 505.6709572 296.7748584 288.695042 317.555764 344.5218827 304.5370097 510.5071047 244.888171 413.0033215 343.419841 251.9246524 524.1321992 394.2105154 256.4492213 347.2946404 398.6772671 341.6871428 444.2954216 327.8240898 341.2037059 266.8102285 296.7265963 456.1797048 421.2143279 310.6442125 376.4071745 387.4012489 274.4501053 375.1001476 365.0519319 272.5576832 356.7264162 443.1500198 431.9733861 472.8134473 380.9841549 349.3753215 490.7183265 386.7259913 307.0567646 409.1374607 322.814764 296.5471933 341.3013179 476.6036901 299.8997978 377.505492 377.3413459 398.5027436 344.1941856 379.8910515 279.6475874 426.8647387 362.1440857 390.1031097 397.0287069 517.5653009 261.7589496 329.0181728 326.2413207 316.8431108 No_result_found_in_bank_inhouse +M626T910 M626.2352T15.17 626.235215 626.2303199 626.2395885 15.1652655 15.14613642 15.1858593 0 113 0 113 [337][M+1]- 353 Inf 63.29663217 0 1 1 0.253039963 0.237749534 1 226.2905823 57.26056057 0.253039963 226.7592252 53.91190016 0.237749534 0.939573067 0.925190931 9.98E-11 121.9001899 387.7738425 265.8736527 0.653688098 0.653490504 0.87036886 0.653646066 0.870785344 0.897437208 0.650737349 0.996141566 0.648694085 0.996236091 0.897437208 159.1802487 156.0214745 227.4676959 289.5456923 256.7102704 187.7782942 289.1833707 160.0643845 211.255983 246.2259439 225.6876342 235.7580831 228.6254692 224.0485436 217.4460737 171.8114079 299.2324099 276.6924782 257.6409159 372.7263538 217.8028659 325.8670253 237.3912572 237.1503652 269.3380695 155.0541539 152.2380528 162.7710344 216.1550368 193.1810579 272.3671116 314.2645443 256.1919073 252.7104735 222.3644452 250.9734469 121.7369527 178.1015092 205.8296213 188.8190791 342.0873836 243.0610735 281.1558047 207.9871894 187.746318 269.3245699 228.049364 124.5437178 256.6219255 314.836192 223.9685813 120.7959636 195.3350178 189.5738297 162.002528 218.4391326 199.4762403 182.3215004 238.1958865 265.4064631 267.5509543 182.3243544 151.9473058 376.1440735 316.9136644 380.5629625 219.0203456 119.2032725 180.6825412 177.7364066 242.6253262 197.9903008 239.2024054 197.4794639 218.3972379 181.9401813 199.5961962 243.2745616 281.6181063 167.6000081 211.1918484 120.4930907 189.0637946 183.2518223 194.1318833 219.5533785 210.7531337 232.3471787 181.9361023 215.1773016 194.0535992 231.0845304 136.7423798 208.9144683 271.9943152 174.1347421 200.7644412 280.6671595 201.3497661 218.3534032 212.32989 298.4926379 353.8044238 274.233917 140.8547513 158.5519456 289.5897828 199.9557477 275.1572658 277.082649 301.9594878 194.5582983 264.1894832 296.5673598 174.6491782 233.7691213 183.1649292 187.1797331 229.4596205 213.7937244 212.2448578 189.109972 231.7709306 No_result_found_in_bank_inhouse +M632T880 M632.3183T14.67 632.3183219 632.3156711 632.3199963 14.66693004 14.64901806 14.67827119 0 99 0 99 [342][M]- [M+Cl]- 597.35 20 Inf 58.44018154 0 1 1 0.265041133 0.090698237 1 3463.544546 917.9817704 0.265041133 3477.423229 315.3961574 0.090698237 0.342204383 0.991828436 3.60E-21 2908.318839 4216.442317 1308.123478 0.000158039 0.000170063 0.917465563 0.00015843 0.916454701 0.843428085 0.035324648 0.050187272 0.031526923 0.046960903 0.843428085 3461.920409 4264.584796 4573.562423 4609.955356 2356.916673 2984.155236 4314.918335 5172.966434 3849.124022 2920.872142 2558.825934 2017.60864 2460.381231 2101.337252 2823.502784 4188.548456 3916.192593 3885.017665 4694.435963 4830.080472 3615.217241 4233.665157 3972.554507 3173.565859 2746.292215 3309.307757 3258.791017 3095.720374 2581.025346 2144.403974 3071.156959 4230.938112 2254.839037 3365.657105 4044.884931 2457.596426 3018.903558 3270.373597 4979.502457 2610.6395 3147.971739 3110.10011 3433.93407 2827.555925 4024.566972 4485.776863 3315.102136 1327.118837 3888.635254 1631.038476 2910.438923 3636.133271 1756.379893 4245.230905 2457.265327 2858.929076 2755.747346 3211.338261 3827.49951 3124.650199 2747.416772 3177.257703 4926.724915 2302.859142 4384.64106 4278.579616 4902.943675 3677.646179 3487.309164 4337.100715 2947.644155 3122.198149 4698.4799 4273.818129 2992.948171 3355.881712 3781.663354 3924.484513 4398.860913 1889.606255 4473.545462 3522.577831 3851.1585 3845.226845 4378.068815 4152.172297 4375.195429 4727.197389 3986.338758 2238.968808 3128.034399 3078.369039 2574.949366 3867.328307 4205.733742 4381.747001 2695.228225 2966.247877 2397.347289 3803.547431 2406.710973 5300.527998 2355.561824 2883.139247 2532.181233 4491.663675 3858.373994 4667.539435 3655.640972 2531.828841 3110.754257 4281.645774 4107.090374 3648.296146 3121.305404 1934.894732 3786.020249 2448.201799 1448.232115 3465.176987 3970.285516 4213.985145 3665.304925 No_result_found_in_bank_inhouse +M633T880 M633.3216T14.67 633.3216312 633.3188124 633.3238889 14.668304 14.6492868 14.68008865 0 172 0 172 [342][M+1]- 20 Inf 56.11699502 0 0 1 0.283479181 0.11654741 1 1200.098648 340.2029817 0.283479181 1148.571857 133.863075 0.11654741 0.411132167 0.974574626 8.79E-16 904.6540452 1600.07126 695.4172152 0.000765462 0.000757828 0.825939361 0.000695683 0.818499383 0.860152552 0.017110279 0.140155645 0.016481126 0.133501766 0.860152552 1079.480727 1292.955544 1673.349781 1775.421024 848.9416903 1188.769129 1294.65365 1527.144767 1232.721267 1343.097925 764.2797561 630.7452598 932.2415959 1046.259617 896.095762 1200.466968 1095.97709 1319.153748 1759.955684 1823.879089 1582.619786 1425.904342 1213.513673 1109.380384 1084.635841 950.6028944 1321.617521 1235.165149 919.0830964 1042.414782 1158.869472 1140.874644 713.9358351 1133.093906 1414.563092 796.5493489 922.90618 1081.883795 1640.357055 1053.705161 725.1972391 1122.780017 1369.198095 918.1802961 1372.291163 1425.948306 1139.280042 498.5056409 1371.969753 772.2359739 913.4860786 1466.114225 607.272348 1382.412681 832.6663951 1473.331384 665.9670782 1175.535168 1237.215092 1219.384759 1130.451296 1088.759931 1739.103318 727.4450001 1801.491666 1266.770101 1961.005103 1039.270843 1297.741052 1613.550466 1342.391506 1118.458967 1278.387108 1548.596038 955.7580077 1187.738107 1578.495696 1762.017729 1511.973679 725.4559728 1608.024297 909.5495641 1552.720129 1481.033987 1232.072081 1757.598381 1544.90752 1370.658474 1386.920451 756.770634 927.9203959 951.6904718 752.6465433 1306.790486 1111.481877 1470.238316 1326.926166 935.8137306 1159.948024 1123.192186 988.7507329 1582.619786 889.7725574 1100.10118 1159.900495 1757.824188 1403.221843 1737.127551 1192.616432 1110.411407 937.6837313 1507.355132 1360.837397 1496.620611 1048.313429 511.3872404 866.0707897 963.649518 595.9310987 758.8326793 1138.540011 1707.807638 1368.584108 No_result_found_in_bank_inhouse +M633T970 M633.3856T16.16 633.385619 633.3816135 633.3888315 16.15981964 16.11844534 16.32230411 0 183 0 181 [344][M]- 1197 36.74737279 39.79048291 0 1 1 0.29335203 0.142890306 1 830.0084537 243.4846647 0.29335203 789.2338949 112.7738726 0.142890306 0.487094996 0.971139 3.49E-15 538.9332425 1091.092527 552.159284 0.528814274 0.526731249 0.828852751 0.530428359 0.82588821 0.913150866 0.609859933 0.595091994 0.615260282 0.599350849 0.913150866 1032.975467 597.582794 746.2512149 693.4768933 986.0963981 752.5620426 1333.940563 649.3163866 679.6479161 732.4974818 495.3635933 1151.801288 1110.503524 1064.327464 756.6398343 1050.695088 748.3855222 960.2595164 582.4150022 765.3436974 796.5459274 664.9792624 665.5813833 742.7713881 894.3104347 826.9546441 460.7090961 543.7265579 718.7702757 812.6038348 458.8205532 707.5762332 543.2756048 810.5704591 1683.32993 565.2961389 513.8108879 595.1578716 588.9315643 558.3737674 668.9702897 605.4424218 579.917486 513.7363017 804.0250659 602.4505272 840.1637359 619.0167135 596.9089048 782.6611866 951.8963286 901.2547943 917.0527162 541.7585186 1281.170013 647.231879 824.6917057 891.3293192 917.3076623 1284.212464 842.9864372 937.2959807 425.4453141 935.511745 586.3644222 663.6717881 622.5920234 714.4448043 1106.949832 1035.017033 536.0556545 852.0856382 949.9055684 723.5387032 1176.809386 519.4820848 732.6413891 659.2890278 836.5122148 819.8122672 647.7971855 938.0690153 963.815941 586.9951308 578.8738993 883.5200703 1254.946396 871.5663551 678.9057782 783.0136968 772.8874815 1080.921407 1098.580127 913.9490746 841.8069898 536.1830601 1020.692079 1044.799355 1188.944732 958.9316485 705.7139288 647.9883546 585.7583315 980.2854652 549.840553 579.91342 1584.789977 642.3876658 825.0970948 921.0838548 559.3502843 638.79478 624.9125558 754.0464917 1337.773569 761.7046812 945.4673013 679.0547623 872.8041158 851.9973744 752.9051222 1367.877663 1083.038394 No_result_found_in_bank_inhouse +M634T880_1 M634.2663T14.67_1 634.2662577 634.2601794 634.2712901 14.66972073 14.64901806 14.68421721 0 81 0 81 [M-H-CH2]- 649.295 20 Inf 55.05494259 0 1 1 0.29296889 0.159319084 1 290.4153858 85.08267308 0.29296889 294.1357098 46.86143197 0.159319084 0.543808882 0.981541776 2.68E-17 198.0288354 435.0212489 236.9924135 0.096378951 0.098789081 0.907981747 0.103244354 0.905542086 0.970545484 0.859653827 0.167956997 0.86071785 0.171445965 0.970545484 197.9494722 326.0942624 272.0068493 490.4027589 215.81815 240.9148356 317.8175904 308.8103559 247.3126427 286.954929 311.1917433 233.7402841 275.8078838 226.1473834 183.3995223 400.7637376 287.8279655 145.9418711 377.957099 445.9975155 213.2644877 249.0996178 289.9195329 270.5705178 186.6169013 273.7841484 324.5168375 368.8967718 238.043116 189.2472863 240.0905747 397.6709972 167.5349317 308.9828042 285.9520291 139.1224756 324.3339967 347.2812629 366.6932866 415.7776198 379.477647 248.1931674 230.5880234 149.3456738 294.4972484 425.236231 305.9986631 177.2304343 270.3786137 170.6054641 339.6587937 183.204686 228.370328 298.6889488 266.4250729 187.4261134 301.9920421 221.4708262 246.7409312 299.8096085 214.1745526 266.8608015 334.5199942 171.5494802 406.5539817 315.4335598 356.4385484 283.7968209 385.3959852 376.0771659 257.9836054 347.2303707 277.7384473 253.9845654 146.4613488 283.2107687 429.009765 346.5238202 354.1762411 176.2141746 434.987575 279.6421476 417.5931 387.6698907 275.9537875 303.429502 275.5757714 242.5252382 434.3506672 186.6433637 202.2257413 286.9297973 255.5775482 272.3639948 332.7547507 298.580186 344.0429552 226.9672306 313.6838789 329.153698 278.3748272 344.4591786 204.6869798 379.228361 280.4389702 431.0734364 459.2624546 416.7443631 219.3373951 282.240175 243.5002325 265.662883 327.0443452 286.9354995 190.4924669 200.8772083 210.8060043 266.8761716 173.8284506 217.1507278 411.3320827 208.6232874 330.619337 No_result_found_in_bank_inhouse +M634T880_2 M634.3237T14.67_2 634.3237184 634.3201091 634.3301597 14.66800966 14.6513528 14.68376563 0 87 0 87 [342][M+2]- 20 Inf 54.04187276 0 1 1 0.306668234 0.154932291 1 307.4248635 94.27744008 0.306668234 301.7520757 46.75114033 0.154932291 0.505211409 0.981685163 2.46E-17 205.9922381 432.030499 226.0382609 0.067126654 0.070022797 0.983640605 0.073309467 0.984213378 0.996694631 0.567792789 0.311409211 0.575583808 0.322650468 0.996694631 218.7380567 328.8194471 422.0934118 524.9949024 216.6875317 263.6483371 323.3341386 429.0720763 350.8174581 284.4396283 314.4940493 229.1670376 280.1517632 229.2521428 184.6200153 395.7534431 225.6605546 241.9207611 416.4954646 494.4418831 367.0253547 309.9502773 494.9830603 269.8524119 198.6297445 278.652735 323.5378262 301.485521 236.1367141 192.1534009 265.5949991 304.2278853 164.5704808 330.8779513 315.0343473 141.4182263 329.282468 351.2597572 459.374153 451.194454 194.9944685 243.5398722 304.90163 146.4618273 326.1981845 416.9347859 332.5402914 180.3267871 274.7534077 178.0276186 365.9849731 360.6806228 228.7370399 329.2403967 270.9120119 195.3016727 307.094372 225.096771 250.1162387 293.948102 212.1092629 295.8861674 328.3836746 169.1455345 354.1352225 311.6436911 394.6579131 303.1815023 382.878425 392.0783822 283.4495661 341.2024725 276.4057998 362.643257 158.1123617 313.8009308 450.0624698 544.9096609 359.7125323 179.2962971 293.5450332 275.0065995 419.1400813 394.2405755 290.3316077 297.9515459 275.3175524 246.3260976 441.5658197 192.0366218 393.2150065 291.5182591 270.9692876 267.3850097 338.544167 322.9171127 364.4407873 223.0282776 315.2443501 333.4390766 244.8951048 381.5186101 212.6997252 416.8033069 298.7025154 329.6472721 346.4495458 421.8537449 222.9547318 292.2972911 238.7853839 405.2574002 330.9456781 286.2098714 187.3501662 220.3329563 210.7932053 268.3352356 180.8681977 240.8174753 418.5107127 338.9712684 324.3963731 No_result_found_in_bank_inhouse +M634T970 M634.3889T16.17 634.3889104 634.3857268 634.3924628 16.16551148 16.12791747 16.2073058 0 85 0 85 [344][M+1]- 1197 23.79460286 28.34944059 4.97E-13 1 1 0.329384688 0.226167533 1 339.66465 111.8803348 0.329384688 320.5503636 72.49808482 0.226167533 0.686636449 0.933829159 2.70E-11 173.8339032 501.3868275 327.5529243 0.986499047 0.986565132 0.858784823 0.986635898 0.860184011 0.896173123 0.701085511 0.999878042 0.70256633 0.999878616 0.896173123 377.3075927 201.0827734 253.2668687 331.2803618 444.0185199 322.0214637 695.0448454 420.3294564 350.1168426 324.8188321 194.2315528 478.6181728 507.4063292 487.1149166 299.3294635 496.3493853 336.4227432 371.7510066 237.9874698 283.2340968 261.2145661 253.6754967 191.2168615 445.1565932 431.6241665 284.8352679 336.8945406 234.6358625 197.7402106 491.97988 174.9641502 236.9657845 291.9299601 222.3452803 600.4945379 255.9511199 221.8658911 274.3717803 287.8636928 257.7650175 268.1499103 253.7848237 291.5671837 383.5718598 274.6706515 368.3155537 306.1066643 220.2812915 225.4915176 222.128093 276.919128 177.6866153 417.3015124 244.3194098 640.9976554 445.2459852 327.4774118 451.5511446 482.2876149 570.0577733 494.0808398 267.6407411 259.2877612 523.8912672 263.3570235 326.3969478 197.145077 204.9049727 573.5491498 391.32943 208.8771157 402.62656 366.7246351 446.636714 321.9173019 237.9166972 302.406772 452.7067931 485.0512852 320.3680449 321.5115297 315.305493 342.8333779 337.5678636 214.9382675 498.6922045 502.0486926 278.1044534 275.3710643 388.8052921 357.1474822 355.9368989 412.3114576 316.8070121 397.8202043 206.7660657 289.7572268 313.2346749 358.5902696 445.3716681 330.0938406 175.4897545 237.628736 195.8633644 238.9101868 171.4430574 689.7958831 275.8550627 438.0984038 273.4635999 195.6034383 260.4477566 447.5975942 325.7705751 518.7133047 368.4719351 263.2154351 217.174037 383.7127281 270.5986293 360.0557755 449.2507722 540.5544236 No_result_found_in_bank_inhouse +M635T47 M634.8906T0.79 634.8906057 634.888254 634.8931469 0.788861111 0.771699645 0.794910119 0 104 0 104 459 Inf 44.47443857 0 1 0 0.294620156 0.283706566 1 1017.229437 299.696295 0.294620156 904.7546046 256.6848217 0.283706566 0.962957083 0.860345983 7.02E-08 449.9991737 1676.4376 1226.438426 0.527638918 0.524309589 0.787240672 0.522077241 0.775366765 0.895228214 0.322230751 0.902843964 0.316451717 0.905553463 0.895228214 887.283088 682.3831651 1139.121992 1064.542 551.8402987 702.9379407 507.9304255 1561.767383 930.4146111 1594.996476 450.9662656 1046.716438 827.1670714 716.7990116 925.6675978 871.0769446 518.0956068 1200.99437 1103.936131 1159.0362 1077.943147 513.8260216 1021.730765 1205.592212 1049.455165 1355.563468 773.7631715 1514.227099 840.221358 1476.321143 1510.207039 1183.193071 917.3603245 995.5570833 1524.915064 1468.01387 967.2039644 769.0161582 738.7025169 893.9708098 992.1257843 1195.060604 1248.907862 691.8771917 813.0958376 665.7686184 876.3297789 816.4862914 1122.668651 1012.185605 881.0633514 1226.11308 1094.237587 681.1964117 858.022658 1341.499682 1084.692544 1388.501397 1122.668651 1222.35593 1229.47645 759.8274257 1210.488397 716.7990116 868.7034379 931.6013645 739.6097744 1144.198499 1025.354878 1343.560219 878.8492249 1117.921637 1266.265804 1386.163999 1070.234822 1042.838263 789.6222178 808.6332142 920.9205845 396.3756124 621.8587452 1343.40477 1482.021574 570.828352 1421.13469 1478.69465 513.8641921 550.6535454 1040.782671 871.3335631 862.5137407 638.4732918 668.8116509 1621.10505 696.624205 1029.922155 1471.521117 1491.748936 763.0823915 501.9966588 1000.326051 762.9689927 969.6196324 1040.298693 1664.43023 1160.644757 1332.375671 621.8587452 1271.012817 1516.912478 695.4374517 1126.623469 1192.687097 1489.37543 734.6003116 893.3942047 1025.354878 1178.446057 1024.198705 1190.379045 646.7805651 892.4385046 1274.573077 No_result_found_in_bank_inhouse +M635T933 M635.3374T15.55 635.337372 635.3341047 635.3410594 15.54769971 15.52573344 15.56077382 0 89 0 89 719 Inf 43.64968941 0 1 1 0.392479265 0.152555987 1 721.770149 283.2798173 0.392479265 686.0381067 104.6592205 0.152555987 0.388698208 0.958902317 1.61E-13 412.2214964 975.5532245 563.3317281 0.085781042 0.081137997 0.74917679 0.08365262 0.743940718 0.942109723 0.072970069 0.849414503 0.070626021 0.850205389 0.942109723 449.8458301 527.6602648 812.0360807 517.7278881 1094.140397 570.5359165 843.3209949 1218.740695 484.3325754 321.5649097 456.4475982 480.8216071 397.1702245 304.7022448 487.406863 777.6630152 400.6392835 723.5250734 903.1925513 1196.938308 981.1819272 1450.936503 1139.427683 441.1128513 1025.72272 664.9418434 740.3377609 1172.443293 502.0625208 200.5841795 578.0947491 1269.430385 361.980936 649.6500619 660.4595426 651.8353063 460.2833213 454.4330443 759.4800718 1017.031809 469.6844729 653.209768 448.183384 424.8928471 721.6684846 925.4677699 643.6871148 440.5694064 1540.500828 548.5419354 899.6475997 661.6049036 721.0868245 997.6246428 501.3330555 616.9133026 425.0178045 486.3055697 775.4133023 966.7407061 771.8834414 704.7141202 1088.532154 598.990982 1332.261953 805.0854046 789.4646342 778.4560897 753.2501149 849.1142956 442.2288906 591.4481033 555.993271 657.1695381 295.3473445 462.9374406 863.4739658 790.1843028 1232.458122 407.5975525 750.9580842 870.376774 1172.93343 681.3789176 804.1476014 488.9879312 863.5552281 878.1666277 584.4187338 365.4976103 959.7311674 1216.90399 249.4944434 411.7700117 693.5451365 1107.477688 838.6332578 609.4540509 458.0162271 568.7690639 306.2680322 1276.818575 1044.296992 365.103367 480.6385655 1195.658443 606.9282731 1265.994809 878.503363 585.833872 792.1571045 1167.26417 641.2719792 1032.326019 846.8052034 759.6946739 301.94052 768.1683444 278.7480192 380.2618665 1146.695441 1093.738699 916.1258883 No_result_found_in_bank_inhouse +M636T880 M636.2611T14.67 636.2610651 636.258976 636.2634361 14.6688338 14.6492868 14.67958546 0 93 0 93 [345][M]- [M+Cl+NaCOOH]- 533.302 20 663.6017699 52.1593881 0 1 1 0.310059966 0.096697225 1 4077.533509 1264.279901 0.310059966 3982.556102 385.1021231 0.096697225 0.311866205 0.986235154 1.09E-18 3181.74268 5145.515754 1963.773074 7.53E-05 7.57E-05 0.828852751 6.60E-05 0.82588821 0.855709492 0.007250545 0.05936874 0.006965242 0.059679229 0.855709492 4106.289885 4357.544261 5088.459306 6575.735636 2661.427908 3344.341865 5559.70116 5652.50216 5017.093923 2886.554856 2831.450152 2379.991205 2911.416494 2414.173692 3072.766861 4075.62505 4139.851373 5954.117019 5976.351277 7578.628341 5040.334632 5506.700476 4969.646853 3248.131891 2936.540783 3637.156858 3502.724156 3707.484212 3766.778262 2221.665216 3631.367707 5182.960318 2336.516316 3418.702084 4248.201246 2991.307298 3153.849138 3507.60646 5151.156616 4098.591587 3539.363143 3598.881209 4663.378623 2785.161455 4595.632054 6341.85385 4699.273246 1538.607833 3998.735004 1863.950773 3222.74591 4471.345394 1490.724611 5144.227474 2570.712794 3899.675858 2455.158185 3277.291121 4054.574288 4005.155307 3305.732826 3194.93367 5556.850244 2454.851847 4919.160949 5823.749277 6554.91897 3960.734153 4433.346927 5017.207562 3352.370754 4018.931937 4785.386264 5175.354208 3292.064174 4270.659817 5135.38373 4927.202677 6211.930509 2267.152211 6040.083917 4166.542599 4207.391674 4284.183087 4735.108489 5220.497751 5019.979123 4562.149416 4647.867954 2169.071315 3665.027191 3174.022334 2430.039235 4239.278265 3733.795926 5168.472944 2979.295548 3315.153461 3379.347143 4001.62564 2724.339216 6759.894366 2213.980801 3543.716583 3711.216802 6112.58945 4684.014009 5064.833591 3787.559126 3249.989374 3954.593967 5125.72798 4602.940585 4333.593197 3509.883331 2632.220035 3780.790817 2567.887649 1665.613308 2585.956931 4359.693806 5226.421121 4412.610952 No_result_found_in_bank_inhouse +M636T999 M636.3496T16.65 636.3495654 636.3476552 636.3516394 16.64789639 16.63453366 16.66421451 0 144 0 144 [346][M]- [M+Cl]- 601.381 39 204.678693 56.03015479 0 1 1 0.274682477 0.101418375 1 2708.265593 743.9131017 0.274682477 2686.622759 272.4729139 0.101418375 0.369220403 0.986124555 1.19E-18 1951.280239 3258.923952 1307.643713 0.018439144 0.01847731 0.864302739 0.016934429 0.860912571 0.843428085 0.701085511 0.05936874 0.701296121 0.059679229 0.843428085 2410.136621 2688.185197 2861.484763 3631.349996 2026.27376 2179.966077 2122.594985 2978.974634 3226.478719 2317.626559 2143.541701 2019.356262 2667.264081 1880.451291 1372.001497 2800.405088 2060.943578 2828.559449 3681.092354 3769.565108 1972.123118 3430.473132 2584.762786 2633.091797 3013.003628 2843.585328 3446.091495 3354.575627 1956.454181 1703.103391 3526.271508 3734.68569 1966.55313 2280.51445 2583.277508 3134.094714 2609.232807 2195.409925 2988.207027 2759.664589 3390.293339 3229.978006 2950.530774 2883.822661 3314.327894 3115.615279 2813.577778 3390.401184 3321.163111 1751.093136 2341.747519 3541.726702 1957.483231 3774.834764 2226.79864 2226.490823 1308.27956 2695.765368 3829.185985 3301.832427 2192.56362 4116.668793 2882.227774 4111.658182 3205.484996 2513.84351 3936.674803 2031.628442 3451.771285 2684.806596 1583.415815 2393.156867 2913.739744 3401.951004 1973.506318 2736.411825 2524.598216 3990.784384 3373.096757 2166.787211 3535.708533 2034.499649 2429.949459 2489.904592 3222.22034 2980.044774 3246.147768 3112.981607 2100.652515 1927.450573 3585.201941 2386.833987 1300.366841 2418.666979 2622.68654 2133.113944 2102.459793 2931.320917 1364.823337 2307.192878 2657.38223 1776.721794 2144.952917 2567.903355 2100.380905 3564.449089 2671.721318 3478.396417 3618.331971 3154.229759 2264.24046 3675.112679 3667.532022 3241.755658 2861.904147 2552.211324 2192.700522 1593.229273 2005.033684 1880.924384 2123.454464 3886.128748 2253.18059 No_result_found_in_bank_inhouse +M637T48 M636.9841T0.8 636.9841483 636.9801442 636.9881157 0.804175 0.7871 0.806283333 0 188 0 188 [M-H-CH4]- 654.02 16 Inf 67.73619134 0 1 1 0.244680723 0.210988581 1 347.407997 85.00403978 0.244680723 321.525178 67.83814106 0.210988581 0.86230161 0.711252073 9.76E-05 187.3480918 515.7885575 328.4404657 0.98697978 0.987033882 0.858784823 0.987054192 0.860184011 0.896173123 0.701085511 0.949929757 0.70256633 0.950568451 0.896173123 336.0956839 242.8500086 380.1407507 256.4535809 370.8212165 260.6036104 442.1520468 395.0072565 365.9675897 379.5438902 304.8790962 412.0474289 275.3537541 354.002874 315.2672207 283.8260823 303.7685413 248.4764279 384.5675568 376.1454098 265.7105405 258.7028942 343.9931109 333.0597436 399.1094545 438.0787229 459.1404828 312.3147715 393.5364703 387.4569367 343.4347724 238.713865 372.3386281 299.0708358 393.2443797 229.2068063 365.7039972 307.2579009 229.5534744 425.3208014 371.0340041 317.4158437 268.8805934 241.4820546 401.2460606 405.2284847 372.8994185 335.002715 213.5393884 305.7054278 252.6270091 418.3331398 334.2819319 498.388764 303.2859498 198.2370323 284.8312083 252.8802578 268.1041036 476.0365846 307.1702981 420.1965199 352.2438967 328.4318688 362.342475 382.8962175 216.1059548 218.9200865 334.4108169 483.6572292 380.7650225 310.8288228 337.7873267 362.7047634 345.2475103 336.1331426 474.0310451 251.1106507 570.2646743 623.2469388 312.1744897 258.5128161 261.1118898 364.0818979 258.8305765 294.0885183 375.5108686 375.9812309 561.6953832 334.0002279 481.0795701 592.4273452 516.4052634 263.6980877 367.8011211 233.8987589 309.2213591 415.4492933 373.8325643 399.4385746 295.3044776 367.7677874 415.2038898 547.094882 234.3557304 309.3665119 346.3667672 368.1908531 257.0296173 434.9602003 478.586048 339.9187597 349.7915407 307.6912867 305.1889663 358.7560778 327.9764682 298.6771337 261.0124925 330.0505199 415.5573826 455.7182911 534.5063581 No_result_found_in_bank_inhouse +M637T880 M637.2635T14.67 637.2634937 637.2604824 637.2663486 14.66871278 14.6492868 14.68100099 0 160 0 160 [345][M+1]- 20 Inf 51.26163926 0 1 1 0.319292947 0.123056785 1 1673.288143 534.2691025 0.319292947 1646.463132 202.6084598 0.123056785 0.385404019 0.987266717 4.64E-19 1211.119866 2217.165912 1006.046046 4.83E-05 5.43E-05 0.871363817 5.39E-05 0.874275851 0.897437208 0.010204339 0.050187272 0.010739566 0.046960903 0.897437208 1309.232428 1668.182614 2290.423058 2527.063551 1165.601647 1452.501795 2260.698784 2349.727874 2088.939051 1426.775136 1398.659804 913.8717812 1505.496428 1246.472358 1341.75361 2090.939653 1601.311238 2682.236878 2144.141343 2404.557566 2065.444588 1874.120198 1415.111474 1043.222519 955.7595932 1860.427384 1592.489941 1741.80078 1599.632575 1252.708013 1513.007804 1865.771202 971.0246582 1786.421799 1992.139167 938.224825 1221.421993 1676.679134 2188.405967 1614.829877 1636.501316 1852.342367 1772.215312 987.4698329 1761.250374 3052.353833 1549.639078 909.5432785 1884.414429 816.5097547 1312.603623 1624.175641 860.0374107 2081.52573 896.0231504 1401.194033 1221.703653 1043.684031 1817.210813 1968.695065 1769.173444 1478.519912 2734.455501 1117.991289 2120.427858 2224.051415 2239.515217 1787.378455 1756.393397 1855.998047 1176.420823 1408.694669 1778.594317 1954.094558 1234.302139 1725.400366 2067.407871 2245.880823 2424.989242 1023.654034 2098.21576 1750.545894 1438.660649 1813.330659 1757.694541 2392.222991 1899.066214 2070.999352 1694.557121 864.6798773 1450.087852 1281.396821 1159.852096 1997.559793 1717.538631 2368.303286 1322.247833 1384.466293 1149.859337 1259.241668 1025.123696 2599.815698 925.9716978 1256.699555 1322.403878 2488.069975 1524.710103 2141.46811 1716.349994 1110.445593 1484.549468 1879.003748 1793.980117 2036.248696 1486.162577 778.1461618 1639.703015 1127.639823 623.5052699 1088.460648 1756.242695 2428.890764 1710.633134 No_result_found_in_bank_inhouse +M637T999 M637.353T16.65 637.3529525 637.3501058 637.356577 16.65138259 16.63680953 16.6650014 0 98 0 98 [346][M+1]- 39 133.8121171 50.80036636 0 1 1 0.295601203 0.138584583 1 898.9739214 265.7377725 0.295601203 867.2118532 120.1821933 0.138584583 0.468822799 0.962059866 6.78E-14 651.3177262 1147.976367 496.6586405 0.067126654 0.067789169 0.828852751 0.065960403 0.82588821 0.895228214 0.954973042 0.073196877 0.954931558 0.072909482 0.895228214 836.9650901 989.1092409 1200.802396 1158.073545 697.7866835 548.9662927 681.7321095 996.1694982 845.2296381 677.0552273 828.8127484 905.139019 685.4275836 447.5474056 535.5450662 1151.181429 779.4110605 783.4983049 1145.899681 1077.818978 484.5571605 1499.016537 612.3711842 763.4231712 559.1958178 907.6684924 960.6934018 993.9711155 778.5637237 720.1979124 1244.135131 1041.607367 545.9278918 729.3697363 723.2097955 1064.426693 843.3388829 739.8212321 911.219743 1116.159627 1351.769524 1094.604386 731.8477565 1036.616312 1192.750505 1111.303219 1087.934465 1061.53417 1052.954314 644.0714763 763.4204589 1127.633129 701.1864931 1116.828206 1015.638146 755.4846372 342.3865757 1203.4537 1058.092942 1480.765956 537.7085444 1502.252791 1092.638185 1023.259477 1058.055545 968.0618803 1131.000195 562.1450536 815.9048665 755.8279006 465.3049125 873.0573122 909.1853058 1415.188145 731.1844992 779.3613832 743.5586057 1298.712646 1216.785449 679.5782222 1073.350385 883.9718745 985.8026419 881.4787208 840.3535268 911.2279817 877.5189248 903.5673687 660.688364 589.9397899 1235.236813 1021.719476 402.1123797 991.4095381 782.800253 864.7837825 716.5844988 566.555034 627.8933588 556.4906912 1083.568756 611.8883536 783.8094103 705.7076088 771.6095089 1034.767433 953.9406445 1183.683554 1225.796836 990.0595976 1172.232952 1197.930475 1229.833469 881.0948829 845.0834568 631.7671772 790.8704693 566.8657831 650.6772258 768.1893788 585.6829108 1352.457152 739.5579387 No_result_found_in_bank_inhouse +M638T880 M638.2646T14.67 638.2646213 638.2604602 638.2681641 14.66825068 14.64797635 14.68612952 0 80 0 80 [345][M+2]- 20 Inf 50.32057656 0 1 1 0.330559181 0.167276759 1 548.8429371 181.4250716 0.330559181 538.5236501 90.08249083 0.167276759 0.506041789 0.946128519 2.98E-12 370.4965709 719.9803953 349.4838244 0.003791833 0.003805239 0.853058507 0.00379822 0.847427448 0.895228214 0.157277657 0.074373024 0.156728254 0.073266283 0.895228214 451.0648506 726.8487477 656.6439083 774.3958386 471.4879969 448.0473309 889.1909295 825.5192796 620.8634641 495.7081633 407.6427391 279.0657448 470.2239206 411.5134863 362.7497074 611.5594828 510.6290944 548.5951363 872.8583686 881.9956816 628.8024968 781.3252229 599.2092615 401.6118683 257.8553585 580.9015659 671.3588491 445.7388586 545.9943866 317.2788965 405.1778522 700.4226784 377.5327377 484.9463537 553.4642673 272.5447899 447.1104675 539.8890969 804.9864892 494.0627089 429.2251139 408.3153158 538.0323116 543.3461461 461.2012672 716.5371493 401.3348138 276.550367 725.1937868 290.1771112 384.7945481 523.3244405 276.9236326 736.4086045 419.6291782 429.2996368 634.8617267 368.0914957 391.2814098 684.3539685 495.9998212 522.1801346 693.19754 370.8035874 791.5478248 540.3159983 884.0769305 476.7198631 584.8354149 599.7684282 497.4348463 893.6796233 462.3883168 791.5963476 328.1716186 650.4671497 583.1172576 700.1975776 844.8451786 440.4263134 708.3155051 604.9648631 456.4902829 603.3212221 787.329313 431.4941993 846.6280462 909.5585855 836.5479475 196.2480743 388.2528721 429.9213175 425.2506308 624.741495 626.2875044 640.2865076 304.7863948 438.498042 338.9852665 427.1458111 490.2212237 764.0268914 273.4126972 454.142354 420.5790638 721.6589589 548.4381347 710.2285711 494.5018921 384.0297346 456.9505056 617.0960619 621.946971 555.3182372 574.3763232 333.149263 420.8880077 372.3199342 244.7276125 394.4379549 546.1377825 821.0991811 781.4406571 No_result_found_in_bank_inhouse +M638T999 M638.3553T16.65 638.3553283 638.3514639 638.3596124 16.65012609 16.63781751 16.66918541 0 74 0 74 [346][M+2]- 39 Inf 49.648958 0 1 1 0.33014667 0.296618934 1 231.6396397 76.47505569 0.33014667 235.5485939 69.86817283 0.296618934 0.898445937 0.937051314 1.58E-11 109.4474962 439.762107 330.3146108 0.174429974 0.175693369 0.87036886 0.176406639 0.870403889 0.91798044 0.97271443 0.172733506 0.973061143 0.173085475 0.91798044 149.4811244 298.9864196 235.6460748 322.7146249 151.5933304 196.0428847 337.8561661 248.5498103 194.2613865 130.7936753 228.154609 195.8545643 194.4715142 190.360596 180.6472743 193.9642657 199.8825997 213.2436492 354.3297741 309.2166067 253.9308597 380.0726907 153.1722608 276.3892752 232.5684169 222.4293246 322.8821876 305.0050745 194.3517931 212.8079517 391.1446034 289.5290049 63.76334501 185.7460282 137.079861 276.93794 226.4742534 174.8893934 182.771604 145.3924096 301.1298812 175.1738317 221.4790199 261.1416248 140.2651717 283.6616338 145.6905067 251.8123443 383.2757973 199.8177697 205.8665938 290.7110493 132.3269986 369.3436155 253.1905885 213.6569385 67.19863226 272.8858465 283.6868443 349.5889813 97.84707543 326.3477187 263.435828 404.5636167 255.1011781 238.1903527 282.5216528 200.279267 292.7164812 193.4159652 141.7254156 282.2249311 241.350322 190.2383789 173.6898408 157.9960564 275.5593357 454.5015449 374.0276521 138.2759664 233.4583275 207.5377315 229.3725654 159.7526067 270.491219 214.58645 267.6408564 330.5516229 292.6168546 148.4926179 312.9202684 256.4591075 126.4384991 201.9965911 270.5909586 126.6716835 146.1008758 222.1818484 139.2313619 191.3556944 286.1639543 121.6567093 99.00501488 163.2794612 222.2689636 362.8496131 249.6155145 259.8361551 329.6409742 231.2310807 315.4272055 202.7230297 198.3758506 187.9012289 295.4993008 223.6209868 133.0762584 105.5341253 271.5543311 125.9693407 162.2935876 373.3759191 226.7889206 No_result_found_in_bank_inhouse +M639T933 M639.2792T15.55 639.2792213 639.2762486 639.2826675 15.54832346 15.53454423 15.56101908 0 76 0 76 30 134.9617958 40.86855513 0 1 1 0.390901229 0.136406916 1 970.0528983 379.1948703 0.390901229 926.5388052 126.3863007 0.136406916 0.348954942 0.969104528 7.31E-15 663.4395062 1199.723003 536.2834963 0.090544521 0.088393195 0.825939361 0.089442387 0.818499383 0.913150866 0.154394655 0.761179519 0.154524572 0.760108242 0.913150866 547.7959221 1037.120946 1079.416474 959.8172184 1119.647189 710.0078233 812.2014434 1886.234192 627.0009739 512.4234883 899.3870018 679.0169104 415.1125401 286.0646018 375.7877504 1446.302611 685.9101574 913.608432 1170.281829 1553.641017 1479.30958 1927.94011 1555.941985 598.1555379 944.7517409 906.9868269 830.7418176 1187.662964 782.0608052 420.3934506 882.2741371 1441.736027 471.0688117 930.7241323 1186.124809 789.5228549 627.3705948 827.2926012 1361.665055 1601.97268 646.0281904 759.3476671 688.2432423 789.2800713 1024.752879 1513.693775 1253.886352 668.6205065 1653.798281 732.1605478 848.3137284 679.4495597 764.1951439 1494.411096 394.8462854 774.3048053 588.0101491 636.678606 916.4663408 1510.048386 953.675559 966.4870613 1148.169721 805.3455006 1916.514969 1075.108897 1122.517623 801.213533 668.5222731 780.9545953 706.1980368 860.6524813 840.5755332 792.8928198 528.7801723 630.4601567 1402.3285 1124.882757 1307.800402 629.1041157 1178.928728 1141.353777 1185.846131 769.8924825 1102.559249 747.4525266 1098.816952 764.259192 966.6447525 614.9378035 706.229761 1546.766253 499.0998895 720.1416944 956.5037318 1005.652035 1016.288021 661.5338758 698.5396351 727.6277515 897.3128708 1293.612557 851.5161021 405.3788549 733.560631 1594.621598 912.5436548 1242.70254 1231.00217 828.2593221 1203.021863 1320.536752 979.2011389 1087.011089 1146.365355 537.8362687 641.2482654 1312.705963 702.2324641 571.9269896 1053.365913 1545.056491 1755.31695 No_result_found_in_bank_inhouse +M640T910 M640.2558T15.17 640.2557566 640.2533692 640.2575544 15.16781785 15.15273573 15.1823844 0 177 0 177 [349][M]- [M+Cl]- 605.287 7 Inf 84.81735179 0 0 1 0.111209695 0.074913061 1 1935.244009 215.217896 0.111209695 1856.900362 139.10609 0.074913061 0.673619876 0.917789008 2.72E-10 1522.402596 2156.929261 634.526665 0.924827568 0.923406161 0.828852751 0.924732655 0.82588821 0.970545484 0.639781915 0.853860476 0.642958223 0.85558351 0.970545484 1749.798361 2005.203656 1702.23458 1752.542426 2169.711721 1889.745643 2011.025284 2109.99392 1789.646714 1461.274791 1897.035634 2186.976582 2009.554806 1879.419017 1580.970384 1653.772101 1929.99192 1584.055243 1639.1211 1909.868781 2084.574211 2094.63578 1872.366569 2191.59272 1915.35691 2110.185478 1904.390114 2223.606804 1923.001729 1454.082121 1996.764152 1892.537413 1717.849016 1923.589103 1605.27764 1916.055485 2541.005944 1981.404999 2208.057106 1829.376227 1902.699356 1727.608465 1694.002387 2175.713092 1885.172202 1963.024864 1561.37261 1555.654669 1944.121285 1773.580252 2002.252281 2045.242622 1801.935584 1958.927874 1597.590244 2262.938393 1642.712346 1864.410231 2021.677158 1734.795089 2298.274299 1954.688499 2088.748586 1988.715527 2173.214125 2210.897961 1823.888099 1817.485282 1997.575588 1866.87844 1880.598762 1842.655652 2432.352092 1878.769386 1950.115058 2058.048256 1920.845039 2031.522301 2044.629704 1815.959076 2062.670512 1739.763367 2143.11425 2298.003361 2053.474815 1775.976654 2038.993779 1996.211077 2167.094377 1960.176628 2185.189904 1663.400094 1851.328742 2342.19596 2238.844011 1589.727942 1901.636588 1913.663347 1619.688739 1725.417741 2193.422097 1905.295341 2019.631355 2136.711434 1800.106208 1771.923867 2085.488899 1855.84703 1761.271867 1800.106208 1814.637836 1860.475623 2189.753959 1977.3369 1693.746573 1894.319083 2290.59226 1597.053276 1970.238197 2151.346443 1994.941502 1942.168594 1851.239044 No_result_found_in_bank_inhouse +M640T999 M640.2923T16.65 640.2923347 640.2902177 640.2950235 16.64978941 16.6356198 16.6644109 0 115 0 115 [350][M]- [M-H-CO]- 669.294 39 286.0757357 51.81409236 0 1 1 0.302307188 0.104547189 1 2097.506931 634.0914226 0.302307188 2059.862192 215.3528022 0.104547189 0.345830973 0.982344578 1.65E-17 1616.565433 2624.76888 1008.203447 0.051882827 0.054316177 0.955954924 0.051407814 0.955848332 0.858832892 0.688778484 0.161754633 0.684096745 0.151362868 0.858832892 1451.310796 2269.737243 2167.559753 2883.395239 1378.96912 1554.487152 1674.507157 1937.913576 2151.006523 1831.30544 1551.419178 1740.043839 2443.062306 1343.301515 1287.062193 2446.209427 1578.556354 1993.823436 2864.56983 2395.295995 1677.872878 3421.496805 1464.061915 1642.011725 2104.667497 2045.635155 2722.582909 2687.57072 1543.758974 1298.393697 3229.349257 2979.129538 1291.438712 1563.897682 1949.804498 2750.773596 1993.715222 2028.932706 2265.166736 1828.732843 2239.266816 2568.334585 2786.899028 2744.399368 2132.526279 2482.573207 1917.615457 2111.043759 2216.072366 1101.406813 1845.767833 2455.442019 1557.63287 2513.538708 1635.42147 1658.542288 1117.556395 2261.052546 3065.835136 3408.272427 1790.872241 2806.949615 2272.362723 2367.506941 2409.466167 2082.758929 2964.98695 1588.106535 2508.511384 2092.275665 936.0257658 1681.467384 1971.303986 2926.529034 1346.744915 1902.827516 2044.451043 3584.42778 2999.579421 2004.07458 2391.661007 1700.281352 1906.038547 2235.182205 2792.294367 2531.008097 2694.105573 2262.79066 1889.242477 1227.856183 2704.111905 1908.60852 1023.439198 1459.789438 2030.662953 1320.92262 1476.210729 2687.864737 1161.597603 1623.90725 2224.194105 1577.514356 1883.37517 1791.210125 1759.214474 2349.470579 1945.963074 2166.423189 2948.770022 2408.054679 2186.586693 2964.386538 2754.001026 2135.62226 1630.018673 2103.008299 2030.050824 1249.814892 1620.025057 1189.229163 1741.71091 2873.944886 1830.231193 No_result_found_in_bank_inhouse +M641T910 M641.2587T15.17 641.2586555 641.2557996 641.2627485 15.16712658 15.15102254 15.18218899 0 221 0 221 [349][M+1]- 7 Inf 73.9931488 0 1 1 0.163507693 0.123000616 1 722.0014202 118.0527864 0.163507693 710.4776148 87.38918418 0.123000616 0.75226195 0.957777334 2.15E-13 550.1241762 919.7694253 369.6452491 0.838093795 0.840061433 0.907981747 0.839651353 0.905542086 0.897437208 0.841390664 0.909598434 0.839600233 0.908172131 0.897437208 668.3068534 666.3137821 859.0595965 814.0254479 587.7923034 846.3572499 502.8282 723.1409678 641.8953947 661.6572313 578.7042946 678.8109259 744.2829914 687.8869663 729.396403 820.2890367 498.4082989 491.4351055 801.2184992 738.8822329 740.341152 786.3390535 598.077148 736.0213373 760.9288714 905.1756003 1020.502495 885.4785531 617.9819732 537.3836096 644.1857918 699.1534944 524.6824833 656.0042571 935.5674741 504.0884517 677.1663032 736.4225624 776.3935156 620.9028906 694.1111327 1014.020175 804.5904627 766.1562531 722.0334212 594.5014962 653.1704504 840.4920325 715.5051175 1000.628903 803.6630082 909.9316751 746.299662 898.5780389 740.4963743 829.5249549 707.1371813 830.7142971 561.7581399 823.6587463 593.3466704 749.1596066 808.3222381 749.0154704 740.0279805 731.5739662 646.6518992 662.8359826 761.9535641 636.9955931 880.4777436 665.3802668 628.1862055 629.411208 904.1890046 824.5159724 635.136261 660.1197321 742.5942068 706.1802017 761.973123 919.9907754 626.412689 832.0212135 610.4442443 566.8886642 938.9438148 588.0711356 457.8873454 592.5674343 775.0916563 918.2777986 671.4435544 631.5048811 580.9594475 510.2042313 696.1968968 660.2155739 774.6294276 799.442617 612.159955 785.8198333 687.5655855 631.7824822 699.9974325 774.3250589 692.2729001 722.1042734 658.8655858 696.3661876 638.044392 1035.82121 571.0447807 839.1062005 661.0008667 692.9146307 644.1673539 715.5203633 933.105313 839.4294796 776.5349817 727.516095 841.3973627 No_result_found_in_bank_inhouse +M641T999 M641.2949T16.65 641.29489 641.2923768 641.2978017 16.65128797 16.63618321 16.67028324 0 85 0 85 [350][M+1]- 39 102.7571681 45.47231696 0 1 1 0.316666783 0.126951642 1 921.2998772 291.7450679 0.316666783 853.6720102 108.3750635 0.126951642 0.400899776 0.959079413 1.54E-13 611.6650638 1120.464808 508.7997442 0.058412046 0.060582084 0.922633378 0.060926039 0.922791943 0.897437208 0.650737349 0.179606355 0.648694085 0.179094883 0.897437208 603.40517 881.9926855 1192.882559 1172.332076 609.5831475 680.7181524 829.9412206 994.2934238 1098.597238 626.1713048 869.3916118 1070.812713 695.5033042 470.7769862 606.2872967 883.9758603 679.2549734 1164.519858 1232.282123 1387.227529 801.0174579 1510.546489 747.0116566 545.6494197 949.2704049 774.7710145 1061.487263 1047.093657 818.0279853 567.9080819 1043.670153 1087.032902 573.0290581 646.112761 887.1652287 1295.00985 712.6191267 684.0266652 1058.724631 959.011331 1051.521645 976.1141458 1008.76218 1148.980092 1051.566413 1391.022999 816.9208434 740.5855008 1454.590656 530.0451303 1262.306073 1089.080409 732.1592792 1241.612851 785.3064067 878.3796515 328.0635264 871.4989591 1303.213535 1044.194531 722.1679869 1413.169605 1073.888241 1037.574741 1293.929458 868.5980977 1050.166159 544.4245144 861.1834458 666.4089579 530.6675201 691.8031154 1006.745934 1279.864527 671.8701953 555.302816 675.7223089 1589.658899 1232.024618 752.0138171 1379.138841 814.808069 836.5488959 908.1181175 933.6123912 898.4331599 819.3397059 1125.875837 732.4130384 369.9240292 1381.123921 750.9671942 500.0287343 867.933565 973.4999903 851.6210718 896.7554798 864.1248358 468.8728419 536.0468811 762.520794 689.8164082 795.747117 675.9039164 760.6200282 1159.640632 748.0845879 1211.398562 1171.816622 1055.17516 982.0562647 1716.332313 1096.571942 1007.207044 953.6743955 815.4721834 718.636041 560.5396268 776.6454379 755.9083925 751.647793 1321.143923 886.5584614 No_result_found_in_bank_inhouse +M642T999 M642.2957T16.65 642.2957131 642.2908716 642.3008203 16.6504926 16.63642943 16.66689501 0 91 0 91 [350][M+2]- 39 18.33556807 23.74032063 5.10E-09 1 1 0.313061506 0.225390315 1 296.3916359 92.7888119 0.313061506 301.0792275 67.8603418 0.225390315 0.719955377 0.939504678 1.03E-11 193.3849973 527.5633957 334.1783984 0.137258554 0.138673841 0.858784823 0.133808491 0.860184011 0.855709492 0.96801623 0.140155645 0.967031738 0.133501766 0.855709492 195.8434723 385.9977616 331.7772125 330.6231159 205.8616253 215.3962745 149.4310117 259.7635736 225.4732054 305.9398278 214.9554772 374.693368 368.3648233 154.2575487 251.1571489 385.4974365 185.4810174 325.3228555 429.9158342 455.8866698 192.1574267 405.702191 199.4470509 187.217242 199.4977836 391.136198 375.8370129 447.850617 226.7822262 184.2810194 357.1553825 312.5320639 189.0562974 266.7555884 318.3806517 360.5225002 245.9099247 243.8550883 284.1310833 322.4074457 331.972117 445.6901619 442.2393672 288.6698619 364.0553868 372.215966 369.8605845 282.1301288 336.8382693 261.8046105 285.8106686 200.2008772 217.088096 436.6347062 197.6245677 168.2378716 114.8714004 290.6868397 348.3844661 330.0062003 141.4242161 443.0738587 303.7578968 409.7611494 387.0108052 216.6746863 391.6044724 279.0590473 297.3137896 372.7188831 99.77689977 303.7028124 252.4921818 305.9037327 208.241509 298.9539665 364.3569622 521.6118148 352.9400837 225.5649579 369.0882846 367.7116805 254.0103909 283.8789188 385.9297716 217.0634655 321.2728619 365.1039843 285.4024802 260.0650268 527.8995249 288.7053699 99.68870873 225.9660593 278.5924987 255.4626477 146.5164474 270.3475784 182.6990425 197.8471609 228.0173664 261.7553992 299.693525 280.6131286 269.3199184 263.2381447 449.6640039 356.5436325 305.9128186 330.5788201 349.6909466 397.1488525 388.2808951 305.7987156 329.0237288 287.9523149 262.6849695 159.0671474 200.1045294 188.8509841 213.9240953 399.6273444 285.9276729 No_result_found_in_bank_inhouse +M646T1143 M646.427T19.06 646.4269929 646.4227542 646.4321155 19.05822175 19.03344755 19.07641911 0 121 0 121 192 5.846334535 19.18080225 1.45E-09 1 1 0.266393916 0.220014962 1 304.1069249 81.0122345 0.266393916 313.3317834 68.93768055 0.220014962 0.825900854 0.890456206 5.61E-09 175.2161575 492.2364046 317.0202471 0.919528832 0.918758244 0.828852751 0.920144612 0.82588821 0.926511606 0.814273281 0.664873869 0.817482418 0.667400811 0.926511606 366.598077 249.2942873 296.7712173 309.3608638 260.4867935 327.1065656 165.2863923 295.7873495 289.6553229 193.7398621 268.8436095 291.7067574 280.9275895 278.2157937 514.3102653 343.1582842 193.6996298 271.8554227 247.3479316 293.3594502 292.1178736 292.6466631 321.2939879 337.9293002 254.1494768 372.3190681 301.3232581 212.6313133 327.2614294 324.8054811 189.9760816 197.6403985 249.6561099 226.7971967 296.3128171 337.3509673 372.1019242 202.8480595 191.2737823 326.9463441 238.1818509 197.8157379 329.1462383 262.8708761 308.2083559 474.2611134 358.5707697 253.8978907 265.9303587 357.1935306 346.3275941 368.1846912 186.0320428 397.7224042 367.7680026 282.6008481 239.5427312 335.174589 254.9711793 228.0458635 193.5721571 316.4007829 260.9802368 372.138951 272.1615887 262.221312 370.1117009 422.5765496 314.6095121 238.2625094 255.3222898 416.627756 242.9682765 331.7465975 264.7982797 386.4964008 284.6313642 225.0844006 445.5066824 289.5577697 392.0895911 333.4816249 333.8819934 383.7706707 231.2003322 242.0905351 260.234577 307.6564517 273.7038686 368.0239172 278.2120171 326.5929094 367.9494522 412.4633887 373.8697349 255.7191278 426.3179851 144.8728158 227.2656222 293.7616176 362.038536 226.3789838 415.7348436 348.9778041 355.6828005 208.665275 311.0447985 269.1671352 465.3944724 395.8959933 278.6897408 339.7882572 356.0793721 199.5384888 211.5150977 296.2555389 349.297603 379.9094381 345.940562 290.2826278 176.718163 402.5168753 229.2203503 No_result_found_in_bank_inhouse +M648T910 M648.2577T15.17 648.2577166 648.2529221 648.2634551 15.16757606 15.15135225 15.18858263 0 113 0 113 [M+Cl]- 613.275 7 Inf 63.74804538 0 1 1 0.239879992 0.192210811 1 248.2048881 59.53938651 0.239879992 243.6117451 46.82481113 0.192210811 0.801279047 0.834182003 4.08E-07 143.242076 348.5870167 205.3449407 0.997345783 0.997340401 0.974320086 0.997357946 0.973496528 0.860152552 0.97271443 0.972147899 0.973061143 0.972068942 0.860152552 306.8994697 243.144035 329.6685105 154.7254826 242.1781618 289.2957705 238.3484845 385.365736 247.615558 235.6240811 342.2792619 276.1036411 217.0669846 223.6697095 250.4696288 213.870646 298.7046862 166.1985132 275.9281301 223.0710264 342.7307422 227.7239546 321.1762963 274.6323383 285.6832197 267.653393 158.5343716 249.9966044 265.3988241 219.3213482 193.122433 374.9745678 130.7985438 242.3687205 191.3115651 193.6932574 539.900941 193.9424057 263.0404625 260.076646 214.8177449 242.9458314 178.0383937 200.6189575 224.6814874 232.8380819 282.4331274 133.0532184 210.9249199 134.957114 220.1992063 302.3732002 164.4043699 163.1557895 221.7051138 297.0778631 276.3779263 204.015366 205.8974401 239.5045792 225.7639455 296.7198387 196.9063789 175.1919033 226.2048072 274.2853404 286.6099196 317.2459877 198.0266922 248.9221806 258.3773255 251.4007208 333.3141825 315.1051682 265.6337293 237.8766573 240.2384994 243.7843849 288.6198542 209.1802433 308.9811231 286.2844335 335.7726075 225.2334002 166.1633056 201.4776098 249.7539481 211.6448175 166.7002312 180.6859435 225.120238 320.8209782 180.7356007 241.4304457 284.1215486 224.8524664 285.871552 209.8031143 408.3533085 304.3004435 240.8581103 343.2604032 222.0430789 226.0126172 252.3915933 231.2293006 211.7750353 302.556871 219.1458436 230.5999102 280.301283 288.587488 279.0504688 223.8841429 244.9903996 375.7957682 244.7355288 341.6038079 238.4277115 315.3646088 192.4641558 293.3227945 166.2554549 No_result_found_in_bank_inhouse +M648T880 M648.2919T14.67 648.2918692 648.287967 648.2955686 14.66800966 14.64930687 14.68171357 0 181 0 181 [M-H]- 649.295 20 Inf 45.65462966 0 1 1 0.289579503 0.169343433 1 653.8302953 189.335852 0.289579503 655.7617058 111.0489386 0.169343433 0.584790814 0.981310594 3.07E-17 432.6961576 913.5219084 480.8257508 0.003295286 0.003535857 0.907981747 0.003778548 0.905542086 0.927138791 0.209147666 0.072242867 0.213455807 0.072909482 0.927138791 579.8448921 623.5592472 882.4003448 968.9494967 376.0881914 455.0927381 736.7554261 643.9427891 686.414004 545.9202483 576.9162871 543.7301598 640.5936674 505.6154351 514.8974898 925.3201629 752.3585937 1042.912101 828.4446825 923.5157027 1037.424243 916.1371182 770.7065885 621.7326422 557.1746861 601.9891372 633.468479 549.412268 589.772982 463.9055097 497.8027276 897.4073673 293.4801068 735.2581823 740.4400374 527.7244773 565.5226802 649.384888 733.6886621 672.2914172 412.2946805 578.1682062 920.3581773 541.9141123 635.9194386 842.5589379 683.7319724 466.3679768 802.8722456 262.6908053 533.5364774 722.6950686 467.284266 658.1229306 401.4886117 561.8124227 388.1845265 362.6741888 513.8151135 612.6080536 374.0279384 499.1910623 1065.002714 420.300582 729.489321 666.1877803 1180.793283 687.5502625 877.218035 805.3951624 655.7027133 795.3990041 760.8542755 617.2976286 487.7854907 735.0749232 902.9858473 1036.900503 796.5359293 467.0431429 826.6973636 981.8327154 499.6352835 633.7825241 726.6011729 820.9142375 700.0183552 728.2970089 850.9270405 376.2272237 624.8241003 633.1655418 313.3105275 563.8230412 602.1047513 638.2011218 314.1343619 698.2944731 461.4742263 641.8312043 474.852556 901.1594653 501.5573181 493.8806932 708.0873931 934.2940518 496.8969417 710.779605 766.387066 558.9258481 507.9934514 677.1143956 698.3153893 530.9671357 647.0254644 536.8593957 556.4398729 284.6817747 300.2929701 590.4331867 625.6275008 823.2925432 813.1694687 No_result_found_in_bank_inhouse +M649T880 M649.2319T14.67 649.2319326 649.2272194 649.2383741 14.6680887 14.64930687 14.68414651 0 143 0 143 20 Inf 49.98841759 0 1 1 0.321438244 0.205629461 1 344.1136714 110.6112944 0.321438244 349.8433347 71.93809648 0.205629461 0.63971685 0.930589995 4.49E-11 206.8473357 526.0452123 319.1978765 0.004979445 0.005174395 0.907981747 0.004134772 0.905542086 0.537439551 0.090914322 0.197087953 0.07731096 0.179094883 0.537439551 230.2240227 372.9979388 609.8909253 542.0163008 330.4142046 224.1808346 443.7118894 545.9475382 458.9372609 338.4273967 222.2032142 277.0895101 268.1565331 233.9666471 240.0004079 223.3132946 477.3019562 509.0440517 412.5302463 536.777056 287.6400011 314.1302376 386.4565017 368.445474 251.8568593 431.0056685 481.3359954 340.8331728 321.0521399 231.1095948 282.419496 407.7134345 234.5454284 425.4062506 409.7288742 173.3908454 300.2218586 371.4066555 337.2968435 225.6372347 190.8453094 306.6792982 348.1507552 254.7611533 481.4939053 475.9838296 330.9299672 135.651106 326.8237444 181.0890532 166.5853395 283.3051444 123.3469881 438.8643009 202.4870573 354.1156157 243.7819085 293.4361252 290.075072 415.1642657 233.3423231 204.3336593 385.1321411 197.6713027 410.3727622 533.3131075 336.2906386 261.8449282 310.5130394 324.3362314 277.6928273 243.6361825 494.7864249 329.0880382 158.3613893 266.5074487 461.1442909 457.72035 398.6173083 270.0225086 479.2391811 523.4305535 391.9971942 432.4074256 424.0628574 435.1420451 461.8081445 333.3253838 509.6065206 181.3601923 299.036111 374.2318297 242.9373843 465.8326249 491.0585764 484.4309711 276.5317434 325.8987543 201.8247085 284.745315 321.1798261 523.9894679 270.8942116 179.6294122 309.0352623 567.068235 317.602518 422.9909722 320.8671065 239.9455263 350.0655903 356.7692683 434.1130831 413.6937786 279.0982643 172.3746344 338.2851697 181.7850501 196.5092615 154.5634777 466.8452317 537.090382 327.9017912 No_result_found_in_bank_inhouse +M650T933 M650.3076T15.55 650.3076284 650.3036565 650.3119111 15.54513999 15.53144637 15.55872392 0 88 0 88 [M-H-CH4]- 667.35 30 Inf 39.10659264 0 1 1 0.393467881 0.213393009 1 396.6763811 156.0794149 0.393467881 370.9974901 79.16827068 0.213393009 0.542339081 0.947463019 2.27E-12 206.223984 602.2629789 396.0389949 0.131783608 0.129718264 0.812332331 0.132540338 0.810685871 0.926511606 0.170696644 0.766801523 0.171894916 0.769177998 0.926511606 312.4689416 373.5117113 364.8751892 282.9384108 565.5996605 302.5675523 519.7071609 569.0206736 344.0888719 259.7397534 238.6533585 287.9281556 186.3940278 152.4102382 286.6405063 729.0889055 156.3815069 445.9463635 485.7669089 467.6186426 511.12263 556.6328013 513.4357821 214.9710625 306.5267677 378.4636621 358.8879313 649.2356753 254.819366 128.6430617 362.3139978 710.2529397 251.7849052 359.7177822 334.4505559 268.1899881 291.1067718 553.1301487 548.386773 404.7515994 363.7209925 376.1408662 360.185477 265.1945452 319.2184464 552.9865909 526.2674792 252.9491359 672.521814 238.3184514 462.2853584 390.9165782 192.8209626 546.6578396 230.4054007 356.5542088 163.6087931 285.7966406 483.4343855 808.5846109 615.8398139 396.4442753 460.5595499 287.136101 486.8044136 431.2579667 438.1590328 213.2887753 323.6213822 334.7580078 259.5082183 283.0055271 336.3348768 344.8237835 223.8723626 200.2963619 681.6831897 417.3325534 387.1963216 273.239564 324.2377311 323.5380043 637.7945909 331.7509486 393.3793299 234.3814362 682.4326405 314.5245849 448.7087426 228.6575699 252.8419687 555.3860314 162.8130651 335.7844187 590.00288 483.1238932 521.0260091 345.4689361 297.8924212 294.8349452 290.7683507 483.5591388 319.6991205 257.6343035 230.2915324 740.4703546 355.374517 573.8522768 393.9373834 221.3014732 399.3996728 459.6891597 534.486797 578.7908579 226.7135422 248.9541353 197.1393931 394.1400248 273.0546143 184.7708357 457.7423831 512.4163244 467.4661204 No_result_found_in_bank_inhouse +M652T999 M652.3233T16.65 652.3232761 652.3186685 652.327681 16.65068174 16.63199542 16.68118532 0 133 0 133 [M-H-CO]- 681.324 39 Inf 45.54654335 0 1 1 0.319104773 0.192433386 1 405.9487078 129.5401703 0.319104773 413.3806567 79.54823954 0.192433386 0.603041391 0.919198072 2.27E-10 250.9960311 604.1176965 353.1216653 0.02986087 0.031235845 0.959805164 0.032442574 0.959666626 0.915966112 0.627803728 0.140155645 0.627905618 0.133501766 0.915966112 350.2398997 399.4779653 610.1941094 508.1383413 298.2653555 259.641447 359.0049296 464.7833318 424.6272368 379.2039125 345.9706784 184.7006904 372.9673092 319.3657915 319.0365097 469.4798819 307.248063 351.1990746 294.4838754 417.7044201 157.7385927 763.8915894 322.6706671 398.7923975 318.8266175 382.1962716 454.8623975 543.4780462 253.6562873 299.674421 368.4512852 361.5917192 163.9516067 415.4381185 376.5725794 468.5993545 390.0721762 355.5292456 354.8550534 514.6841299 464.8721356 445.1286599 476.9169861 282.2016014 430.3217845 389.654593 337.9220489 317.7668986 485.6027546 190.2082435 311.7326136 416.2952612 377.2013812 523.0753463 277.5412973 324.6459546 137.7329555 398.9255352 828.0310789 504.0948093 279.7670511 639.3681641 337.1481574 455.1221209 568.7203485 310.3014441 466.851166 360.4185491 450.7374229 382.6015839 182.9596787 298.2756042 493.5119692 717.3815683 233.772089 407.2645228 394.7308151 941.5330561 479.0175279 273.1816778 677.2114548 337.2607059 553.2397796 363.5948702 390.8395503 481.1681686 466.7124413 423.0561745 369.3625029 306.8415974 391.844663 361.6569366 202.1339341 501.9693611 363.7467819 594.0845287 363.4190777 401.0497945 234.9526682 319.8682809 273.2812548 331.2862747 298.0447924 380.4123322 292.4419281 507.3955562 500.6371502 474.2889502 514.4527127 502.5492829 358.2665272 399.9439172 392.0583267 472.362145 364.8184178 373.7660531 433.002689 382.8023828 385.5325389 240.1145121 334.9241417 494.2697828 278.2888688 No_result_found_in_bank_inhouse +M652T910 M652.3442T15.17 652.3441787 652.3402131 652.3488624 15.169655 15.14847603 15.18981306 0 97 0 97 [M-H+NaCOOH]- 585.364 7 Inf 61.49340143 0 1 1 0.246753759 0.187926322 1 189.9238969 46.86443557 0.246753759 199.2111136 37.43701186 0.187926322 0.761594564 0.822366442 8.21E-07 141.684359 281.0452362 139.3608771 0.617905449 0.615945728 0.828852751 0.612263366 0.82588821 0.877941452 0.709941623 0.560283294 0.703251709 0.559144944 0.877941452 152.1037548 130.600115 229.7467722 161.3186868 248.3467511 113.9580177 141.8894533 188.5772623 179.1137384 132.2726043 260.798593 195.8544226 196.8259747 149.7668135 189.6383978 156.0786274 136.3960412 170.7311546 181.2183965 126.060786 178.7401284 216.7007092 237.4708573 173.3551328 186.1443733 262.7213752 206.468154 192.3860165 184.2664896 102.6464567 194.0786158 218.3821966 159.247101 172.5559006 201.8662544 125.1184415 211.4525999 203.4773916 199.2426862 161.1556943 162.0570072 169.3194206 303.0475279 201.2464477 106.324875 134.572822 239.8390914 176.2303336 203.0570236 133.0842432 112.9076619 249.1319297 253.6567248 98.18503572 200.8121266 238.8692291 174.7569297 202.5278118 195.0064508 148.0208221 183.9755547 179.932759 159.8103806 176.4114037 187.6537852 181.6545555 282.3032102 200.4316406 190.0826194 139.6314013 253.5797937 185.8407888 214.0148497 246.0044798 115.2154791 212.6993709 155.492834 155.594782 241.0708091 213.0132524 183.1153321 118.9881475 217.5106486 247.7693747 107.6647029 212.5090408 198.4453341 194.6616018 257.8805174 121.0953661 155.1401078 216.1171133 180.3244559 196.5250944 173.7084229 177.3454096 264.2778987 257.8553022 164.6109703 160.3340165 178.2688477 250.0721427 195.2894715 179.1631041 220.8842928 166.2202439 206.3008774 260.1040367 227.6758373 143.1218989 207.1847696 127.0607714 226.9012769 163.8243145 150.0783485 115.444564 172.2450926 179.1476061 221.0589864 178.6655062 140.8887812 118.1045288 156.5880176 No_result_found_in_bank_inhouse +M656T881 M656.3182T14.69 656.3181798 656.3148677 656.3221358 14.69047861 14.67463423 14.70827857 0 159 0 159 71 Inf 39.26212437 0 1 1 0.442084458 0.207888639 1 768.9888362 339.9580131 0.442084458 760.8419716 158.1704018 0.207888639 0.470246431 0.960780243 9.70E-14 433.5138485 1055.950688 622.4368399 0.106693772 0.108034064 0.89018862 0.106820548 0.884330165 0.877941452 0.356576048 0.560283294 0.353686146 0.559144944 0.877941452 688.4669698 1112.384984 630.9489164 864.4103203 503.957259 613.3040719 472.6040367 1084.368115 470.6254367 268.7932763 392.9270666 579.2044703 534.0758461 281.7007261 785.3992721 1554.989426 739.9372411 1305.535318 662.0739421 814.1645443 864.8007583 898.9304726 660.441376 506.1324568 707.5785367 695.5201023 725.7173687 819.9890598 572.2743026 410.0187994 477.7769866 785.2122476 319.359115 406.2810371 1004.079881 485.7062991 903.8467227 1255.332398 1093.109266 474.8165736 741.6329255 638.6978217 1357.042486 456.4023708 886.1881247 1153.397672 1021.387226 238.5945744 1524.955239 575.296842 678.4651717 734.9889017 396.1932219 744.4824252 401.5637952 596.2913559 931.9371521 649.1366821 711.3083806 858.1110155 763.9101639 427.7665789 755.8098841 304.0805556 939.2318095 933.4692669 732.7244081 763.4535919 604.1112591 807.457788 582.5006052 786.9616029 539.815733 617.6735083 227.2034843 908.8598664 907.3121852 746.316525 1649.671265 924.253761 1047.473411 872.7648241 857.7517575 877.5770513 910.7342988 376.8215282 764.0476538 578.6983077 766.2772024 447.9226233 957.4255997 622.6029796 407.8378915 643.9912575 561.4628348 865.1387618 847.8154681 566.6581518 509.60747 483.8000341 481.8059546 1611.752072 672.5344386 412.9812214 437.9149272 1435.886756 604.110394 1510.264717 882.8098064 718.3497458 501.7339844 1333.736669 639.2451514 790.4911437 686.5945536 324.5793952 474.9217637 364.7573675 317.8658145 685.1798332 550.189732 1131.174522 638.68351 No_result_found_in_bank_inhouse +M657T48 M656.8849T0.81 656.8849286 656.8838208 656.8858584 0.805766667 0.787083333 0.823266667 0 285 0 285 [358][M]- [M-H]- 657.89 16 11096.50274 343.1896664 0 1 0 0.040695046 0.033101084 1 77673.62134 3160.931588 0.040695046 77503.98305 2565.46585 0.033101084 0.813393454 0.739499545 3.64E-05 71272.27269 81874.62925 10602.35655 0.220670876 0.22151593 0.917465563 0.224994296 0.917754402 0.907774883 0.793609926 0.425509833 0.792893059 0.428283086 0.907774883 78715.42835 80475.79459 80272.08451 79221.3221 73757.7294 71857.80043 79282.43419 78893.71088 80306.60932 77371.04343 76085.03395 77746.67502 80660.08569 81894.73536 84160.60954 79839.33571 78952.83794 80290.49644 77278.70106 78594.21211 73922.96767 81808.75546 74923.02203 81193.86532 73805.08259 75501.40481 79798.04645 76554.25336 77599.64496 77723.51275 76514.09619 78896.73205 79517.07805 72343.15733 79221.51927 76804.07136 79023.621 83989.41016 82293.15108 77705.47581 74893.68766 74694.29073 82571.19718 81202.88844 79185.2137 81331.79151 76736.98712 82426.4605 79070.9526 78653.96922 82460.41561 76928.18979 77022.95513 78761.78665 79264.30719 73868.41836 76199.83824 77625.82839 76384.12934 78292.49893 75315.64378 76368.00845 73755.71529 84097.16507 75182.7125 77332.77533 83359.21707 79472.29353 80743.67127 73611.11942 70729.33306 76562.37811 75579.49224 78424.43812 77881.76867 73553.38046 79937.74828 80653.57719 76895.71338 79340.84339 74050.78246 78899.75321 78715.99855 79465.71823 73325.60643 75421.38458 83706.42765 78510.02285 77581.51797 76586.14391 77828.09499 77210.92166 76584.22902 74545.24656 75993.39193 73902.40098 81623.0588 75338.80605 78329.75997 80287.47527 74053.52853 75460.72666 81580.7712 76777.00072 75703.45672 82407.32645 72811.9536 81831.29088 81418.39825 80190.83787 73774.84934 78428.46105 77557.34864 78502.97347 82797.05681 74580.51598 76143.44315 82134.41449 79656.28783 78251.21897 76160.56309 74407.28 78240.13206 No_result_found_in_bank_inhouse +M658T910 M658.334T15.17 658.3340447 658.3292712 658.338876 15.16760762 15.14592164 15.18642824 0 83 0 83 [M+Cl+NaCOOH]- 555.377 [M-H+NaCOOH]- 591.35 7 Inf 54.14836754 0 1 1 0.324067986 0.230961031 1 198.180768 64.22404241 0.324067986 206.554334 47.70600194 0.230961031 0.712693141 0.879836503 1.48E-08 88.73412115 322.9967088 234.2625876 0.997345783 0.997340401 0.858784823 0.997357946 0.860184011 0.843428085 0.742747939 0.902843964 0.738219608 0.905553463 0.843428085 148.7548337 234.0337345 266.8790771 160.9656437 74.90813594 270.9927996 109.4729381 318.3139803 240.7765163 142.9934665 256.3772681 168.327708 197.55907 113.5415098 218.7488671 261.7348264 177.1379524 324.8434434 221.2791627 181.7424165 238.791847 182.7415524 185.6874535 221.1398951 174.7805391 162.7361335 175.2958581 317.0705326 177.8542644 144.0753427 226.7143895 131.4896177 255.3751008 239.3930867 189.7012506 89.59323557 183.878983 292.880076 195.45175 162.893791 188.1852252 114.8642031 267.6588796 231.4821542 186.3827643 212.2485801 230.8779202 139.2530741 234.1383678 260.6801487 191.0232345 108.7006185 99.39808343 202.9109622 299.9616209 173.2535394 230.0236858 187.0888027 179.693727 192.6605438 175.7358195 299.1747403 170.2788318 114.0207324 180.6370081 100.504072 125.1469784 175.4628119 230.3558675 431.7718183 203.4009795 184.2858403 202.6956622 243.5972176 148.2028972 170.5040725 177.4750626 158.268939 173.3536955 158.8499252 244.9221958 141.4333505 228.826241 314.8605917 157.4696379 237.7318408 151.9669939 143.8524648 259.4281632 181.0689944 298.4775197 160.1803975 252.32674 167.4339963 184.3949558 259.5934275 236.4613248 148.7772535 153.5782967 107.7597468 151.5635322 318.4158784 155.5301798 208.4521222 225.8556839 144.5465707 133.9755825 149.1018375 253.5990076 219.9930096 128.1135895 221.8989356 191.4137442 240.4750297 119.6783344 198.1201761 108.5999931 86.99206691 210.95264 190.557884 153.2703794 182.9453058 229.1674823 No_result_found_in_bank_inhouse +M660T881 M660.2612T14.69 660.261179 660.2575066 660.2644809 14.6900243 14.67697638 14.70733591 0 150 0 150 [360][M]- 71 Inf 38.39482393 0 1 1 0.455524755 0.212561995 1 817.4668435 372.3763834 0.455524755 781.60453 166.1394182 0.212561995 0.466631051 0.961818576 7.26E-14 351.995393 1154.051789 802.0563957 0.501463329 0.502989627 0.907981747 0.497003323 0.905542086 0.83326941 0.690154932 0.823885858 0.684096745 0.819088137 0.83326941 529.410389 997.7599488 648.2980591 1077.214594 494.4556015 662.1313308 648.7086615 1297.036151 411.0256488 550.4502922 382.8991129 608.3768033 485.667101 166.0084646 864.5544216 1588.603488 973.3607292 1519.284565 1114.992735 1210.504486 914.1963108 1249.284262 649.3210749 743.3108074 738.4910861 529.6005915 505.0937471 773.368147 547.1203555 351.4665837 807.9883333 730.9691078 392.0536398 526.9830414 806.3387713 533.3125833 512.8707476 1371.299711 1251.891286 368.4740421 1205.936696 850.9464369 1006.580516 650.0109738 1134.78113 1528.089372 1094.806188 316.7334665 1517.799758 538.8874448 722.4694418 940.8471191 447.2204879 596.5879844 367.5693227 578.8799601 813.4868672 655.3008589 821.9523077 640.8822487 738.073511 635.8343776 887.9982393 215.2101482 1391.351063 670.7128809 901.7083841 657.7143012 467.9994613 825.9380073 521.4776277 943.6756483 519.4803065 499.0889689 496.6492237 848.6182302 1142.940125 740.522872 1325.698747 923.3028478 1165.583875 1027.842675 856.9864877 938.1327013 1119.001141 580.6391079 709.4001214 469.3941995 883.7757464 386.4257271 1137.947122 676.3802297 536.2250302 645.7871096 667.6759183 815.5900738 1140.891978 602.6325632 445.5011152 559.3204338 753.2064411 1185.64005 803.9268562 715.6318163 617.2728314 1625.271009 617.1597519 1262.393649 957.9438095 615.0615203 452.3642001 981.0730922 456.4210413 872.6691929 559.1475213 345.0307376 703.0723069 203.8065855 521.0533258 804.5973973 815.4550042 1174.244802 605.283068 No_result_found_in_bank_inhouse +M661T881 M661.2636T14.69 661.2636365 661.2580326 661.2668304 14.69017553 14.67959668 14.70418801 0 72 0 72 [360][M+1]- 71 Inf 36.30920625 0 1 1 0.480202416 0.20668496 1 369.879794 177.6171707 0.480202416 356.6355725 73.71120894 0.20668496 0.430412161 0.962361622 6.22E-14 165.6206604 616.3905116 450.7698512 0.523286423 0.522432999 0.832824656 0.516848503 0.82588821 0.843428085 0.533570723 0.913996348 0.526236467 0.913037985 0.843428085 233.7014024 414.2753064 302.3929261 335.9316235 168.7758148 324.7599817 279.4990903 596.7875468 256.5429419 170.2387474 160.8104462 157.9807227 282.0917804 163.143742 350.9002917 687.8468557 332.1068187 604.6086865 479.7075872 376.6914427 513.549347 375.0748915 484.2231114 181.7347215 509.2305002 248.3778916 286.459101 422.5752111 145.8121314 108.1357907 399.7103909 391.8981796 178.1933345 226.2350274 360.0509338 360.5055092 331.0570406 694.2940717 303.3865128 205.5071341 365.5937781 510.4069983 548.1767495 221.0208376 465.6631562 419.067481 619.1987216 149.5874345 873.5725001 249.1577609 464.2651617 532.300454 142.3417806 301.2463009 243.8055084 346.9014122 391.0833061 261.1809795 410.5450238 435.1770809 392.9071256 332.2153219 520.4204811 103.0019182 440.7211473 259.1871392 467.8367878 284.1955093 384.9748753 328.6382689 368.9230651 310.6618765 324.0212173 242.2448688 145.3532731 485.0915955 438.6434656 396.5780213 688.1659426 331.2058135 414.2731617 625.1002007 229.9397164 356.84891 529.5397438 375.829169 469.3903517 227.2854304 567.2773213 146.560201 343.3495685 312.6632235 256.9797308 269.5473543 273.3091773 353.2041867 463.8656188 248.0543057 197.302448 256.1790878 368.5088885 820.578247 203.6058644 263.7338526 440.0380998 743.6725112 252.0459754 629.3410546 327.1061309 218.9744303 260.1817331 719.6145928 348.5225064 453.3097598 312.603283 121.9795537 115.2136703 111.9198356 383.9220223 310.2189179 119.7451088 431.4229614 308.900281 No_result_found_in_bank_inhouse +M661T1022 M661.4173T17.03 661.4173155 661.4135693 661.4207478 17.02590318 17.01292918 17.04395376 0 69 0 69 904 Inf 46.68498109 0 1 1 0.385609158 0.225705178 1 265.2043589 102.2652296 0.385609158 257.3231597 58.07916951 0.225705178 0.585321103 0.945275457 3.52E-12 152.6906773 417.018932 264.3282547 0.721188525 0.716859405 0.79145929 0.717559206 0.799360927 0.897437208 0.410976714 0.979074604 0.414371701 0.979497605 0.897437208 318.6791712 237.1016185 131.5218262 236.1361532 302.7003735 282.3057319 640.5491249 195.6316586 360.0223 411.7841241 193.6104396 251.7444985 207.8384955 163.5717551 240.5540856 320.2724788 282.3800399 239.1338169 118.6173182 232.3369677 124.7457208 219.6688758 220.6886058 288.4288586 215.4024287 346.4397686 230.746888 189.8017123 227.5026295 197.7321773 101.8100148 289.7672912 207.3458797 193.7188591 427.2770054 212.4392905 161.1199112 117.8504533 229.9169809 276.1247695 158.6318005 268.9377091 291.6801322 267.4855671 89.00511751 330.460414 255.1342713 165.2136372 194.2551274 271.4608429 237.6940095 201.1381909 312.3990851 302.4362417 511.5070299 193.5286023 156.1258386 217.8916192 263.3308398 638.4457867 376.4906732 195.9247188 188.5984575 355.5374614 236.9673153 178.9829155 167.3644638 143.3277846 294.309566 341.395878 328.6205957 324.4985875 246.9198496 294.9312124 246.9589247 208.8954692 252.4118743 370.8670528 457.7105008 179.4152184 235.1685267 396.7243162 250.5025177 188.5823241 152.8410573 292.3613547 314.8194758 236.2276685 154.44496 226.1060461 180.8416324 366.2258019 332.9720471 364.0013908 328.0558227 218.5308168 392.4004604 266.0723583 249.1609778 438.2495362 164.0160821 206.475257 297.3817072 221.7886474 302.0860505 162.2234601 477.1787282 205.6942426 254.6941953 291.6248378 108.844431 243.1909769 201.041608 354.4075248 303.2114874 253.7737006 291.0792442 204.6870007 287.7680349 308.9022814 284.1100374 271.1709072 368.1049069 No_result_found_in_bank_inhouse +M662T910 M662.2767T15.17 662.276741 662.271449 662.2823951 15.16555625 15.14740611 15.18172426 0 111 0 111 7 Inf 56.91609198 0 1 1 0.301231455 0.203656643 1 250.683163 75.51365396 0.301231455 250.1338896 50.9414283 0.203656643 0.676080269 0.880508277 1.39E-08 135.9411843 378.9222925 242.9811083 0.698852795 0.700369326 0.955954924 0.704460536 0.955848332 0.897437208 0.992944104 0.703262774 0.993066105 0.701953625 0.897437208 278.3106015 257.2470166 222.7148245 210.865011 129.0709507 351.1556557 209.9137357 297.1026127 309.1253515 180.1864681 165.5845255 288.6158932 210.624227 116.0296332 213.1510731 295.8614049 292.3387123 535.030507 367.9352092 346.0027578 395.1942891 274.3596685 319.8520496 316.1403326 290.6589609 218.2416332 218.7736766 196.5096882 264.2643185 175.6096584 284.2787772 210.079491 204.2415841 288.4421934 212.2541476 168.1696389 235.7602648 338.9330123 210.1034149 219.9875812 183.7699867 253.1380899 305.3128764 274.3819195 243.9208801 294.1303136 263.2133811 181.3716822 282.5434394 254.5263403 283.3732004 145.0743888 84.85616821 327.9389891 171.8062955 208.4407113 337.8568201 286.5174218 315.1016063 245.6421472 225.997429 253.5615877 219.4092052 182.9140229 212.8092 318.3076169 211.2300714 250.7807734 282.5811668 356.514389 251.6253441 237.391998 176.4918475 261.4485044 192.8570738 209.2482132 382.6846856 208.9185944 242.0459332 292.7709813 234.2541745 286.5267871 189.8159372 301.5795778 169.7568944 181.2334926 248.0094126 172.2164443 298.1206094 216.1378439 300.8799846 197.8227252 222.7842121 327.8084075 202.6540963 376.9012967 200.8665477 299.4113489 213.2440801 149.07452 169.6083958 332.841242 172.4047393 415.2004337 220.2365722 255.9617503 288.5716087 281.0061517 181.320025 218.7708995 137.7553296 422.0320501 152.0900433 185.2813032 188.13196 171.573099 111.6209119 239.4457573 177.1138545 245.8679841 291.2599549 189.0720742 268.9537783 No_result_found_in_bank_inhouse +M664T880 M664.2557T14.67 664.2557031 664.2532924 664.2585273 14.66807388 14.64901806 14.68199159 0 188 0 188 [362][M]- 20 Inf 49.77798341 0 1 1 0.319162104 0.123475926 1 1036.693246 330.873198 0.319162104 1023.103967 126.3287101 0.123475926 0.386875274 0.986433168 9.27E-19 762.0679311 1349.902029 587.8340979 0.00070813 0.000757828 0.858784823 0.000628632 0.860184011 0.78476801 0.035324648 0.082315327 0.031151298 0.077074533 0.78476801 983.7713949 1183.933222 1420.090244 1769.289807 761.3077484 1024.987704 1083.702626 1525.041051 1059.334289 961.9087997 487.8225788 616.6163649 958.7655608 686.358073 982.7643496 949.0344299 1141.323863 1190.21611 1460.827794 1523.961979 1586.460972 1254.322168 1050.259908 665.1783864 820.0864327 824.5420384 920.2796813 1035.056699 970.3464404 623.885976 988.7716494 1240.23051 602.4499218 774.1873925 1391.310815 671.5270084 1090.856435 751.9536116 1586.246003 1145.102026 858.7154218 1168.739467 1106.09624 544.1736345 961.3348777 1609.784298 989.953465 519.2619294 922.893415 541.0454225 968.2053234 996.159969 546.010584 1191.103743 807.93939 840.538982 553.8047282 940.2944757 864.9123802 943.1988543 906.380864 898.0069129 1392.666874 753.8768801 1326.317722 1161.735335 1419.233897 890.5909256 1007.439884 1456.704137 791.8619511 984.5692165 831.8279487 1078.5324 860.1023017 1016.181817 1025.644628 1408.224649 1761.85251 633.5731044 1315.735918 1082.964088 993.4973495 1097.090854 1058.52889 996.7413735 1368.977099 1291.438945 1171.726839 712.6887831 1271.65819 760.5115191 881.7569721 1402.166378 1039.3743 1250.095736 658.311455 814.7176536 701.5135803 1043.775244 624.643374 1599.726752 679.0940998 779.0714445 791.8513821 1581.207394 1038.094287 1245.495556 997.2876812 771.3588326 1023.155605 1158.810596 1137.618892 904.1751052 772.6872677 616.3067986 762.6952859 649.3320426 420.419862 790.6076132 1021.215597 1315.433016 1497.41133 No_result_found_in_bank_inhouse +M665T880 M665.2588T14.67 665.2588297 665.2527613 665.2621465 14.6677101 14.65409793 14.67979628 0 142 0 142 [362][M+1]- 20 Inf 48.59387646 0 1 1 0.345498811 0.206037938 1 427.7952246 147.8027415 0.345498811 412.0431963 84.89653041 0.206037938 0.596349194 0.963385487 4.61E-14 221.1715648 567.4468963 346.2753315 0.003295286 0.003527939 0.966990565 0.003778548 0.968297759 0.970545484 0.351685412 0.058396334 0.35418121 0.059679229 0.970545484 330.7911031 350.5260088 551.7622329 570.7317477 373.4558717 284.5331917 591.8116219 381.5788129 529.9439627 416.8451253 490.7834888 398.7130678 258.4296205 285.4715325 488.0078625 582.3360863 359.7004273 1003.335576 473.9032398 585.9916205 564.5291089 591.4224264 392.2795443 252.6978079 313.2650848 400.7468844 349.408587 399.3919844 318.6775587 308.0681143 224.5715618 666.8251733 240.0013794 447.7768829 487.3828679 438.6678891 243.0949209 445.6425955 606.9236735 327.7581856 318.3716158 529.5296317 428.7861828 337.1479618 425.4066548 945.3459084 579.1033461 227.9699008 461.3501915 155.4604521 308.3027705 420.0776401 217.649383 928.3727801 289.6586969 409.6642676 221.7606463 314.0903352 229.4107777 248.5493221 407.9370659 365.7819219 738.5405651 287.4145352 459.9246589 648.2341221 606.128525 471.2001701 555.8360388 438.9290786 268.3581004 376.7569146 418.8804014 418.7370026 244.8722875 446.0734313 481.4826984 630.4000651 474.7183797 232.8740407 593.8092073 528.4666446 552.9709536 410.0198386 465.470984 491.9480773 412.088314 381.6714935 386.8016716 185.7311023 413.2160526 398.1423454 421.4634085 658.8413074 539.3795368 544.0485335 301.8220772 373.7128339 344.8258419 401.8812964 274.2369766 612.1508974 364.289101 374.2788377 287.5890588 612.5687441 364.1042959 431.8027783 563.3460458 289.7755989 403.28428 406.651049 571.8509097 693.9511443 439.7976234 260.822683 568.114318 409.8746505 202.0954034 263.7279165 440.0737047 499.0314409 380.2501523 No_result_found_in_bank_inhouse +M666T880 M666.2577T14.67 666.2577121 666.2539792 666.2611688 14.66790456 14.6492868 14.68167164 0 80 0 80 [362][M+2]- 20 35.94237497 28.26207797 4.38E-12 1 1 0.340863168 0.241346137 1 253.7113955 86.48086993 0.340863168 258.3958259 62.36283431 0.241346137 0.708044047 0.952515245 7.65E-13 154.3714682 459.7850385 305.4135703 0.001750492 0.001651951 0.81438186 0.001849264 0.814503953 0.962914429 0.019241519 0.204049355 0.020691996 0.20520824 0.962914429 289.2354774 529.4058361 284.4732181 383.6432529 127.3055112 180.0191422 421.0923413 363.3664862 233.8011588 121.2032116 224.291408 82.2086281 369.4584488 233.929764 167.6455064 248.9413423 181.403066 199.7916686 334.7121962 335.7286175 254.0321216 297.2869153 234.2328821 248.3912397 166.5368056 141.4392789 280.5899053 210.8765074 221.175003 171.560871 265.0393439 345.5112434 146.0598069 253.3846974 318.793551 232.5279254 227.3622539 341.6539782 261.0798311 196.4314376 227.9769169 216.467733 248.5796515 152.6930193 291.4810419 228.3879967 261.3517812 64.66588619 307.8432999 199.8741704 241.2206824 301.5589382 133.9433137 261.724801 101.185257 153.531393 229.5439989 138.6649022 191.3066334 197.0215191 229.8126994 162.8523898 267.0068456 240.8568686 293.2716661 212.1382325 395.8980872 170.0408138 236.2349924 408.654325 182.0140799 227.9031941 231.5450709 242.2488544 183.9486003 478.5758692 321.0722971 392.6450497 269.4044296 88.65310136 266.8920402 336.9574416 284.4144421 259.2331164 272.4401538 300.8533404 260.8031661 303.5012782 299.8153329 112.8164975 221.1789149 274.8813077 163.310471 246.3627654 222.5659273 261.3397012 198.8155327 206.3278034 263.8255032 251.561059 118.9417482 320.1821109 205.8615748 211.7197121 155.0030906 302.1527553 270.0189449 477.5990573 295.9861186 202.5611375 223.7218127 176.916844 372.1136146 386.1231958 328.7353985 168.3337612 291.0290583 264.9650451 97.99684821 151.5085138 311.8243464 280.6734599 408.5896822 No_result_found_in_bank_inhouse +M666T933 M666.2713T15.55 666.2712516 666.2670431 666.2741395 15.54579988 15.53558531 15.56202218 0 76 0 76 30 Inf 40.17220222 0 1 1 0.411793808 0.201503502 1 662.6872694 272.8905143 0.411793808 628.2668664 126.597974 0.201503502 0.489331064 0.963454827 4.52E-14 333.227905 1036.376829 703.1489241 0.030748324 0.030961697 0.828852751 0.031867033 0.82588821 0.915966112 0.111794976 0.560203897 0.115824936 0.559144944 0.915966112 347.5696978 543.6511951 814.6046913 644.3333273 826.4019686 439.6866702 529.0545411 1208.177278 589.5811425 307.2971821 522.0640611 943.0266384 273.1158845 301.0652033 329.5304493 817.3086047 301.1831278 722.5527191 631.4657739 1385.25365 1052.340152 1299.737746 857.9901195 317.3731158 714.9019796 478.0712729 566.8853291 762.345141 855.9968219 226.186225 400.8453331 1300.115094 252.1902263 502.1660199 425.572129 449.9624031 460.3581864 632.8078585 902.4279926 943.6041335 822.9689639 553.3745816 524.4895065 335.7193659 703.1207048 1170.898332 1047.545503 381.9354486 877.6424145 430.34076 500.6349687 580.7997372 517.3276203 872.2425143 366.6117009 709.7412727 478.1431118 485.2189404 516.2528319 804.9737246 537.595664 1004.841424 581.6381686 482.0100819 825.323481 657.918715 877.817598 419.3134286 675.4693354 710.0559188 289.6199907 393.1083725 354.7240467 563.972724 432.3068211 547.1054002 971.922078 710.2019877 850.9935843 391.0389403 764.0679667 624.9470303 823.4582048 524.2937796 670.0886666 736.8536312 831.9340904 758.2794426 736.0841507 448.6256634 697.9936638 890.7024088 307.1481549 598.3113881 843.2709068 647.4900165 1005.781136 771.5942101 308.1912194 385.1707032 284.1301 883.0030353 651.6511998 348.606608 505.465655 1252.044943 431.2168606 956.4636663 918.7637711 505.7611789 1056.599141 823.9858077 553.9449007 878.831731 695.7221107 365.2303452 423.4583427 731.0687815 250.3023101 474.0179709 679.339939 1016.233662 898.3708045 No_result_found_in_bank_inhouse +M668T999 M668.2869T16.65 668.2869308 668.2827094 668.2909846 16.65149921 16.63474066 16.67143883 0 112 0 112 [366][M]- [M-H]- 669.294 39 Inf 51.54959849 0 1 1 0.31894278 0.16940503 1 738.5530359 235.5561583 0.31894278 738.3647958 125.0827103 0.16940503 0.531145524 0.967857012 1.12E-14 506.2806846 993.854243 487.5735584 0.014707386 0.014725416 0.828852751 0.012871377 0.818499383 0.537439551 0.370284761 0.071347289 0.353686146 0.064709992 0.537439551 586.9226034 832.1770537 1058.386042 1044.700516 410.4042922 427.8416454 640.8285139 986.2188454 793.0802198 357.0396847 428.195189 600.2861505 611.9212807 607.7299719 436.8020733 769.6859689 287.8779582 596.6923007 886.0696862 1120.246231 476.303664 908.9607706 684.8355973 696.3592959 517.7194198 724.465461 825.3251547 778.2244527 676.3620767 559.8108552 868.7762496 1124.671574 514.389191 550.9609705 469.8789375 835.8072946 696.855074 647.9337618 1083.668252 804.5636469 920.4424077 893.8012405 1116.055544 1088.018634 881.6005162 812.4438012 595.112725 668.3988313 1090.031153 503.8592544 736.386259 573.1758822 546.8680167 1002.05108 401.3790428 580.1875016 389.1674273 778.2308081 997.0708861 788.8940486 391.810799 1008.984412 785.0126391 984.3341837 1041.184865 926.5757995 1075.01642 674.6447861 946.9946888 628.6021993 375.997371 729.2874555 903.5111746 1252.085761 385.1482739 514.0516806 492.7794209 1259.88416 1108.414569 569.2172839 1221.021185 721.6553656 872.8086313 1096.229734 1055.060905 806.8430577 798.9700377 1156.628343 689.0467688 589.9122104 878.7593418 811.6344976 276.231382 603.3280393 945.0387637 598.5575368 507.4344988 740.0648327 387.5718207 568.0484761 662.2831009 772.6743082 540.2700496 629.0847321 504.3046154 921.9964662 626.595064 701.5631339 727.2339617 947.1129522 738.740533 1006.758028 776.0425167 848.6408115 640.6730062 587.1367914 566.4118911 369.4554748 539.3543248 456.4950003 454.950896 1035.917185 615.2880912 No_result_found_in_bank_inhouse +M669T999 M669.2896T16.65 669.2895738 669.2859895 669.2962269 16.64929867 16.63174301 16.67028324 0 101 0 101 [366][M+1]- 39 38.10149901 29.27982228 3.99E-13 0 1 0.345376615 0.21970312 1 319.3840838 110.3077939 0.345376615 314.8149275 69.16582175 0.21970312 0.636126217 0.882085517 1.21E-08 164.3757661 533.7622866 369.3865206 0.660992327 0.667016027 0.988533886 0.663445688 0.988524596 0.895228214 0.906045885 0.87072117 0.906570823 0.87064954 0.895228214 213.467501 253.1979209 364.0291201 370.2165839 207.6384039 255.7485036 328.0092131 387.5904561 256.4789465 210.8949564 226.3006068 290.1461983 240.5555146 259.4502934 216.4339568 340.7906608 340.3105088 319.8221886 332.0605571 289.7795545 206.2487932 477.4659563 218.6237208 268.1234312 298.0295062 344.4354847 297.7169603 329.9980692 181.6406498 145.4021373 635.2462832 300.4011216 168.9863863 303.1857261 232.0298924 342.0450071 326.9111533 501.5197221 475.4034684 280.4983588 366.3610716 286.2893767 355.7791683 339.5088539 417.6538063 421.4525825 279.4671148 253.1002608 289.3538551 238.2173562 287.7170666 385.6852434 277.4046269 498.1629491 276.8744331 271.2171631 154.9487956 372.0741741 496.0750372 430.5751741 320.7223645 567.1841814 400.6520221 410.2046277 394.6906233 245.93904 442.4036615 181.498938 377.5523117 323.8106054 156.7490829 240.755038 420.7677654 358.8729002 223.7799407 162.9365467 316.5918976 639.371259 417.9948789 286.2561055 463.2350845 226.8970136 281.5296028 360.4503291 457.872321 311.4447367 291.3550652 296.7371316 293.1423192 242.3423321 542.4343262 201.4212768 225.8424286 235.3823664 203.4028409 150.5616191 242.3423321 292.4869345 193.2695816 202.9971807 193.8738656 252.6547717 362.9978761 323.8106054 223.7799407 340.3327147 463.0285408 422.8518151 285.1251017 599.1527444 248.069077 432.0912218 237.5239602 332.2096658 308.0891401 286.6858226 292.5750989 254.9029068 285.6545786 175.3114743 265.4646135 433.6655715 170.0639931 No_result_found_in_bank_inhouse +M670T910 M670.2886T15.17 670.2886188 670.2836109 670.2920058 15.16710903 15.14696522 15.18614156 0 185 0 185 [368][M]- [M-H+HCOOH]- 625.296 7 Inf 81.63312945 0 1 1 0.164602961 0.120057107 1 598.3254345 98.48613816 0.164602961 613.0041304 73.59550243 0.120057107 0.72937392 0.930551281 4.52E-11 474.9627081 820.4517857 345.4890776 0.48787179 0.485956908 0.828852751 0.48815575 0.82588821 0.964335055 0.686818782 0.557663162 0.688259785 0.559144944 0.964335055 671.3929096 537.30412 518.1900572 609.5121468 581.7035364 749.5153305 661.0816976 597.3398925 693.0287152 767.8534376 562.2591639 642.7453855 665.9857119 889.2450827 387.5681466 513.1855585 558.9450032 621.5201374 571.5633063 480.079025 519.5225218 659.6913888 515.7147075 645.9834504 660.6679953 446.4057463 703.2847838 598.6511549 747.9831172 407.6782916 700.7119398 525.9578215 523.1148255 587.2836707 493.8243992 801.3264968 585.0443146 458.7258119 634.5339899 746.6879974 671.8107261 475.6326081 560.1650998 641.3783652 607.0296705 770.984107 639.889635 577.8277122 701.4381223 470.0418412 562.4211715 668.3075563 630.3312372 566.3835045 483.6440637 707.2256012 636.3225821 605.2040322 579.1614495 569.6402286 487.14326 589.4042966 643.4784123 611.4660576 554.3743021 681.4441576 756.3004097 512.2587453 572.7792903 761.6835185 579.3384156 487.4056477 589.5441622 685.7508633 748.0168362 611.8957139 627.274469 583.5526522 700.0056594 707.4710729 596.080921 510.0145645 575.9056699 616.6447807 562.3393926 636.2266635 588.6166837 549.1891943 668.925973 516.4626437 509.0510044 628.3126426 479.3004804 480.041377 558.8401114 512.3859961 593.7445091 556.6918741 528.1457359 435.8258426 600.8645041 586.1499093 550.9984611 597.0971318 604.8929658 648.1611347 428.2795344 436.242731 725.133875 485.9608923 623.2380542 533.394128 943.926866 660.8884363 578.1558035 600.9480289 622.6992271 493.1019398 406.972267 467.0903909 624.3389584 591.628011 437.2879792 No_result_found_in_bank_inhouse +M671T910 M671.292T15.17 671.2919619 671.286463 671.29685 15.16670014 15.14553062 15.1857097 0 122 0 122 [368][M+1]- 354 Inf 65.56248879 0 1 1 0.250241934 0.219688114 1 211.7599184 52.99121149 0.250241934 225.8358072 49.61344248 0.219688114 0.877902877 0.788337283 4.76E-06 100.7204322 330.6018173 229.8813851 0.763413486 0.764272287 0.959805164 0.763619949 0.959666626 0.855709492 0.993606802 0.76577622 0.993690738 0.760108242 0.855709492 221.2165004 245.3434265 203.6589007 176.7767689 153.5171893 197.4908628 176.5823618 178.9657071 201.2030634 166.3248023 261.6039975 163.399201 278.3527495 228.0046352 160.6323968 193.0504998 207.8681669 176.6869475 185.712431 246.3286778 202.3436121 190.8230623 184.2314881 271.663046 176.7795157 237.1892463 195.7527316 189.9163433 196.9830582 260.495144 176.7453067 195.6575962 166.01963 222.4446718 174.8416356 354.6836232 186.2421193 154.3995638 218.3059265 213.7314757 171.313132 157.3721372 189.9174693 298.8152032 295.8184835 127.4333353 201.1044555 202.6348438 212.3353646 262.3631999 231.6300637 272.8978869 204.1718049 187.5735054 157.7716262 262.2441341 192.5677361 190.4155116 192.1128146 146.3638728 170.2728979 313.3179125 251.9137083 153.1377128 218.1787438 233.3522041 252.812583 174.6781388 306.0703217 186.1548849 189.898834 237.6769605 177.2708339 249.8860539 198.0966523 276.9711373 214.0308121 195.8147319 183.265377 141.8069788 175.1528776 122.447975 266.7127961 161.7277531 175.9627371 214.8462459 158.8851242 152.6603793 218.9286149 204.6755804 151.7615556 159.4959775 173.6391924 144.8503549 188.7122945 197.1172986 253.2655278 191.0202079 109.2752125 249.9980962 173.6816558 259.4847884 275.4705979 194.341109 303.64374 225.4323332 182.8597796 300.6941664 261.3800951 179.584426 159.2728806 279.1774273 172.9787923 111.8653734 189.3450142 259.3766594 158.4424416 318.6826984 177.4504676 163.6444935 263.9839699 279.2057726 158.9929627 No_result_found_in_bank_inhouse +M675T47 M674.9819T0.79 674.9819452 674.9795341 674.9838373 0.7888775 0.787083333 0.8062 0 316 0 316 [376][M]- [M-2H+Na]- 654.02 16 Inf 73.93653872 0 1 1 0.220617678 0.147130166 1 2177.006065 480.286022 0.220617678 1982.72117 291.7180941 0.147130166 0.666901072 0.963131984 4.97E-14 1446.249899 2651.666753 1205.416854 0.240859845 0.24354711 0.907981747 0.243795862 0.905542086 0.895228214 0.545535125 0.674696729 0.541658544 0.671332655 0.895228214 2715.721853 2633.822175 2273.397447 1980.097792 2251.548887 2156.068705 1424.222793 1996.148478 2460.778623 1323.984046 1691.34727 1908.580337 2698.587678 2702.483732 1850.093825 1493.260936 1663.332869 1754.377539 3497.965037 1877.697894 1865.558112 1840.807614 2866.960913 1388.203645 2719.826914 3019.606921 2020.3226 1589.070925 2988.627799 2420.653783 2085.945684 2416.991914 2830.149002 1773.958216 1796.787457 2347.043914 1949.590041 2167.786062 1754.332328 1991.409089 2445.63275 2747.15184 3083.209906 2324.200459 2162.011617 1893.883645 2541.988439 1956.455883 2275.475634 1919.699382 1614.01734 2222.576711 2318.535387 2188.608144 2327.079553 1654.791301 2171.901523 3425.136925 1313.140103 2371.021354 1750.847672 2336.860758 2161.31512 2335.42718 2522.624671 2251.469909 1916.904383 1906.633343 1494.497084 2709.2345 2318.172886 2458.658496 2787.330557 1988.145564 2373.985235 1618.969531 1289.249717 1791.662341 2678.568983 2325.525649 2953.886907 2612.471819 2534.939629 2060.569836 2250.113055 2058.278385 1255.329407 2083.853078 1914.743192 2149.080141 2288.621229 2735.26073 2150.969656 1459.508687 1616.645788 1593.723128 1179.15569 1832.387065 2089.076954 1729.986086 2268.248882 1866.354653 1980.469196 1659.512003 1701.218745 1957.121607 2351.751895 2204.947945 1859.417036 2060.090221 2015.614509 2777.424658 1939.900848 1556.454766 2310.416257 2807.266547 1904.51394 1496.095712 1613.808536 2452.419807 1660.788489 2432.558861 1897.749249 No_result_found_in_bank_inhouse +M676T47 M675.985T0.79 675.9849522 675.9806489 675.9890175 0.788876515 0.787383333 0.806316667 0 165 0 165 [376][M+1]- 16 Inf 58.94912532 0 1 1 0.298899601 0.209343357 1 380.9926298 113.8785452 0.298899601 356.365852 74.60282383 0.209343357 0.700380182 0.788003858 4.84E-06 180.4205401 530.3565335 349.9359934 0.244998529 0.249105427 0.917465563 0.251081699 0.916454701 0.897437208 0.566870648 0.6859287 0.571707404 0.68896116 0.897437208 353.9402759 561.5150975 457.8288474 365.3567917 417.8867411 276.0804495 254.499199 430.9437908 325.5901185 201.421666 319.8427085 627.1136833 482.4812929 419.9657263 358.1871618 260.9600613 299.3323449 291.0726662 672.7515904 475.0613999 258.2906429 460.8598109 608.1626009 292.3563136 358.7876608 324.2624858 393.258924 298.8099047 385.3780962 357.6397868 511.0805345 315.9171273 406.1264976 314.2190483 396.252415 563.4446361 414.3310251 383.8898207 177.0313364 289.6767095 327.8591518 619.0401868 520.6564315 425.7117783 379.3422036 405.4381071 637.7636743 265.8436911 384.5785741 189.9857123 298.7842562 384.2197186 412.9040573 380.2743898 382.1316507 248.7696787 456.1269906 255.4859971 461.3734366 516.5674324 218.584184 588.9110702 479.6457095 468.1488388 349.0349394 337.8410735 417.2609465 378.5383126 318.6849464 548.3165174 469.7983615 273.3185638 577.558246 380.1171356 430.1910462 254.1951662 212.2364009 520.3369551 641.4902365 438.3345525 496.1504479 624.9263561 303.7504021 298.3171861 321.6513906 266.1038836 296.3242325 329.3763537 317.3837914 449.1236701 368.4182266 444.2616427 319.9732388 190.2826998 276.1546544 337.9273311 170.5416802 390.6537596 512.5518033 301.5068872 456.5919487 222.9937821 291.7164516 261.9452737 510.4111041 502.1208334 492.1643219 484.1100722 461.6901408 332.5808126 376.1533716 408.4582115 356.9684094 264.0606988 306.965614 363.5445012 391.4913481 325.5451834 255.4405926 378.294462 312.7772432 309.910793 218.9839181 No_result_found_in_bank_inhouse +M676T910 M676.3053T15.17 676.3052831 676.3005874 676.3087921 15.1691521 15.14555107 15.19834868 0 204 0 204 [377][M]- [M+Cl+NaCOOH]- 573.348 7 Inf 86.16004847 0 1 1 0.187719422 0.156104657 1 508.8952116 95.5295149 0.187719422 482.1442084 75.26495643 0.156104657 0.83158501 0.782285084 6.30E-06 340.3035416 654.5944283 314.2908867 0.786431532 0.779950337 0.741367954 0.784356747 0.695696123 0.970545484 0.411681767 0.406354191 0.417895845 0.414892917 0.970545484 531.6192945 492.992464 348.4919067 385.1502255 384.2652698 467.9306177 412.2389648 352.9983225 414.9998588 518.1219785 503.8262003 516.3949754 493.3469576 559.5372536 543.2774363 479.3147397 438.3921373 543.7249622 587.7563252 339.6755276 399.3482521 597.6213148 485.7360795 498.9091907 428.7335651 455.6467384 461.3174051 369.4650225 586.3908721 743.7337107 570.126165 553.7385548 607.7631579 545.1639983 537.9108196 654.1731944 440.3385394 471.3776407 555.7510419 454.5588015 576.4415078 498.2701499 484.196394 452.527064 868.4210218 422.9161894 662.251744 532.8071464 535.796951 477.540339 483.613496 431.9661708 565.0381896 456.6994065 540.7380299 554.7223902 375.1395306 593.6496455 334.2726139 462.545527 446.1363857 504.713988 729.8289356 335.2429287 452.6613087 661.2342778 465.2910976 524.1513084 665.1691916 321.7716998 509.6844167 586.2628652 454.9920241 518.9106789 553.7652171 446.8630447 456.7673716 652.2610488 584.2112968 484.0909371 433.7350882 368.4170509 600.5227663 490.6313262 445.6929639 378.2945498 605.0637049 471.0453491 548.8345498 443.7882007 417.7524344 385.7035689 622.622039 603.7317407 414.3199131 522.3859642 447.6161008 540.4565632 445.2518662 382.3878171 451.1208752 531.9022988 348.4605113 500.8571527 367.786987 411.7185733 593.8206652 448.5831587 560.4341154 503.9921186 547.7482288 600.9891399 507.6376113 458.8279858 675.5349914 642.6055292 413.8265385 387.5399096 521.2888521 688.3991594 339.6126233 513.8279248 588.5119294 No_result_found_in_bank_inhouse +M677T910 M677.3085T15.17 677.3085304 677.3041418 677.312823 15.16945866 15.14963282 15.19060483 0 69 0 69 [377][M+1]- 7 Inf 68.02193486 0 1 1 0.252010591 0.226683352 1 170.1609723 42.88236725 0.252010591 177.7645767 40.29627012 0.226683352 0.899499306 0.770490983 1.06E-05 99.58159183 315.6424384 216.0608465 0.395450283 0.399017341 0.903553864 0.393518451 0.898770124 0.855709492 0.966176257 0.406354191 0.967031738 0.403792793 0.855709492 116.2306934 227.9987855 115.9900115 154.3455777 140.6238653 141.7449097 177.8676116 160.6477046 300.2478327 128.2827899 88.33805455 117.3230044 245.2053598 280.9605311 288.5165504 159.2439473 192.1115635 184.3513656 139.4491088 171.6884977 250.5809103 167.7564264 204.9363004 130.7066149 160.9956081 209.8387832 119.8854758 119.2707858 175.7807588 224.8425153 140.1608407 158.676516 101.6930904 255.685156 146.0642735 187.7889661 206.9164113 140.904016 199.5716476 124.6565321 203.3128003 151.7635415 178.7941263 146.9757883 135.5038042 179.0263389 177.635912 166.4438105 153.3408731 245.7573572 164.3159902 144.0184212 225.8611402 192.1715593 100.0438968 175.298143 216.574331 167.3510243 91.48613929 231.4349189 114.4910562 93.10373773 147.8890619 154.3287923 189.8556765 154.1779323 120.7649851 103.7385589 193.4268518 134.8454498 166.1172049 131.6576713 176.9242391 186.2300899 205.1973211 116.4083349 138.0685041 214.1734066 219.3384956 143.8211264 173.5656472 158.7001158 178.3898092 164.6993272 115.3098691 207.9164187 113.8934835 168.8357488 168.6592271 223.8487685 122.6920189 165.4223475 125.5773583 154.5521399 109.3444866 104.3682561 195.170297 228.323595 197.9398276 207.6323922 174.9234313 105.3791504 195.9490757 130.3651822 278.4445008 161.4616594 148.7131425 130.5241288 192.4663931 175.3259105 156.9450612 196.4640081 130.960772 285.1580607 129.525671 143.4434815 140.1881281 150.6683401 118.3929601 152.1682106 137.4130329 135.8959215 140.3616605 No_result_found_in_bank_inhouse +M685T910 M685.2533T15.17 685.253315 685.2503227 685.2563513 15.16784558 15.15386012 15.18198457 0 181 0 181 [379][M]- [M+Cl]- 650.284 [M-H]- 686.261 7 Inf 96.43112129 0 0 1 0.091417527 0.069100248 1 3601.921748 329.2787782 0.091417527 3499.134092 241.7910333 0.069100248 0.755875272 0.94555023 3.34E-12 2952.662189 4139.61767 1186.955482 0.607822692 0.603960223 0.786631087 0.596283537 0.752728909 0.765470316 0.327015996 0.989714906 0.319403577 0.98888698 0.765470316 3739.069669 3665.528153 3952.451131 3657.828103 4093.41202 3351.459305 3550.882438 3496.434706 3031.051709 3360.542044 2892.164875 3556.253735 3552.980478 3429.890997 3035.084582 3259.692833 3234.980433 3594.159803 3740.048483 3843.802772 3537.433974 3901.552801 3408.23052 3656.849288 3557.010255 4019.010487 3906.492799 3466.959363 2964.051572 2805.657134 3704.811177 3424.877789 2785.798096 3926.023152 3519.815322 3272.688804 3676.717221 3717.025443 3754.730693 3720.472202 3691.830468 3853.758725 3571.692466 3548.443931 3471.853433 3923.574093 3694.044222 3532.264553 3877.067844 4103.188495 4189.324131 4113.95545 3728.302714 3610.150088 3103.447939 3987.688437 3223.216025 3558.145894 3549.521822 4094.827221 3402.577968 3556.031441 3542.898013 3605.717458 3489.443734 3371.131973 3947.557061 3292.730462 3691.062197 3754.730693 2933.505706 3387.418574 3522.908823 3631.400123 3873.167193 3839.887516 3777.243417 3682.298454 3632.698883 3541.396153 3724.168043 3408.049063 3865.336681 3608.539611 3968.112156 3347.633562 3695.141067 3581.751901 3428.498874 3264.344855 3884.912962 3515.829792 3151.781239 3432.622057 3503.934141 3207.57364 3933.853664 3779.601466 3479.370205 4136.82536 3403.33645 3747.878995 3833.035817 3638.251822 3725.366272 3981.907325 3741.027297 3695.799771 3765.698184 3818.353607 3413.267013 3603.99333 3942.310297 3929.028257 3186.734166 3482.620388 3752.769264 3593.819418 3928.959594 3589.311119 3327.804295 3739.841704 3857.243018 No_result_found_in_bank_inhouse +M686T910 M686.2569T15.17 686.256924 686.2541253 686.2597401 15.16752224 15.15159266 15.1828587 0 189 0 189 [379][M+1]- 7 Inf 88.6527413 0 0 1 0.120741269 0.097573395 1 1368.369153 165.2186275 0.120741269 1336.141623 130.371875 0.097573395 0.808119681 0.939665507 1.00E-11 1084.411924 1611.448255 527.0363308 0.625294838 0.625438614 0.907981747 0.628508906 0.905542086 0.896173123 0.844725739 0.659998058 0.844193462 0.659018736 0.896173123 1043.847173 1281.717113 1408.318951 1515.230673 1545.854528 1418.038198 1104.459017 1256.725008 1312.810363 1190.872965 1529.31291 1632.118719 1266.827958 1180.697415 1172.870765 1189.210268 1310.154552 872.6309662 1572.574232 1255.726766 1375.27351 1523.00607 1504.5395 1542.444565 1666.850932 1421.925897 1410.335029 1543.41649 1226.902209 1214.397208 1499.679877 1379.670417 1521.777549 1405.403177 1287.800283 1374.70651 1389.511181 1518.76114 1179.916637 1588.125028 1374.631646 1346.99426 1229.484798 1280.886089 1443.308242 1406.424376 1321.817649 1434.20522 1566.553995 1278.081036 1553.135737 1397.627779 1586.181179 1212.031191 1730.482774 1393.74008 1362.220943 1243.22476 1476.919073 1509.004171 1315.475304 1370.413886 1223.33788 1401.83618 1656.1623 1362.07398 1375.27351 1350.003466 1437.935845 1614.366996 1062.313743 1289.292928 1441.465035 1645.468588 1270.305638 1515.230673 1413.178575 1824.30274 1417.98399 1365.730149 1201.200675 1349.890998 1505.511425 1399.283801 1722.250643 1053.461534 1159.644167 1418.843453 1533.599597 1295.575681 1456.915188 1265.382495 1217.821702 1259.625258 1362.621573 1365.554262 1397.627779 1122.270434 1295.652532 1624.177029 1366.526187 1562.854985 1682.401728 1305.294928 1510.371049 1311.604689 1246.007519 1410.940783 1363.119576 1497.736027 1332.584496 1341.256144 1035.981486 1620.12732 1364.822257 1612.423147 1135.772916 1355.524041 1309.182627 1514.258748 1517.292701 1326.842189 1415.334806 No_result_found_in_bank_inhouse +M688T910 M688.2616T15.17 688.2616144 688.2574401 688.2642122 15.168722 15.15135225 15.18267227 0 172 0 172 [379][M+3]- 7 Inf 82.01594954 0 1 1 0.141021273 0.111122391 1 789.9101733 111.3941381 0.141021273 790.0119405 87.78801581 0.111122391 0.78798318 0.937218522 1.54E-11 616.5699167 1013.186129 396.6162126 0.950399219 0.950999255 0.828852751 0.949728952 0.82588821 0.877941452 0.659581915 0.989714906 0.653986298 0.98888698 0.877941452 740.0202364 759.9002914 745.0043704 701.4746651 766.5929969 712.949815 829.1049414 726.1416856 862.379949 878.9349225 763.7759156 963.3480792 634.5896535 644.6705197 767.6254829 920.6510097 832.5717969 771.0490285 739.2883075 668.2549304 1049.911381 908.9489537 812.9738315 727.7859676 731.5027029 884.477057 664.2572205 694.3088727 778.0893597 649.0592128 875.5120955 902.5634833 726.5925506 1085.66517 663.6041792 595.6784713 724.5132724 714.1836869 742.5067011 695.5933893 693.9394978 687.1910545 800.7567354 903.2712918 879.254138 794.794607 860.7266396 612.7085422 779.5276447 594.394086 743.2987562 707.3253848 838.3964033 959.2354361 771.9962429 923.3661187 610.3890337 927.6586049 681.8374296 671.6137903 830.4368074 944.0873652 964.8110488 805.9334138 723.1602922 695.0611132 777.2511713 847.2283315 618.7973199 739.7268968 641.8440669 570.1303 790.0329943 896.018638 832.0995802 746.5884064 775.9123477 882.0074713 683.0936019 953.9121186 902.3154899 980.5081181 795.4226412 880.5580082 689.8437506 726.9104799 1045.708843 820.578252 766.6437932 696.5329865 793.5942272 860.0423991 704.5154532 869.6609626 897.2190105 760.9095639 870.2038001 730.2407308 745.4377189 905.6766154 647.3844728 652.2868175 854.4503789 799.8685351 812.4462737 699.6662197 830.5443405 826.1873813 771.8180793 871.6079207 682.4600555 918.8297372 972.1760841 617.808 876.4920817 1003.263798 774.1748576 755.1169148 826.1523811 978.4938044 906.4943067 828.3459966 832.0966649 No_result_found_in_bank_inhouse +M689T47 M688.9976T0.79 688.9976389 688.9953574 688.9991779 0.790289583 0.7871 0.8062 0 316 0 316 [383][M]- [M+Cl]- 654.02 16 Inf 85.4201841 0 1 0 0.177423541 0.126905859 1 4785.907474 849.1326533 0.177423541 4496.340523 570.6119544 0.126905859 0.715270688 0.944232701 4.31E-12 3341.832029 5852.816714 2510.984686 0.546137033 0.548659295 0.828852751 0.538165082 0.82588821 0.826741857 0.463926353 0.949139883 0.457006051 0.949936104 0.826741857 5066.892741 4309.550757 4651.601551 4240.273036 3813.287427 4546.875642 5517.455701 5412.247875 4323.44613 3858.943653 5208.77991 4551.727262 5077.766391 5161.138631 4761.150387 5750.699466 5333.846724 3437.119823 4668.859663 4128.253221 3562.76794 4314.823473 4247.7569 3851.673381 3534.60124 4014.378123 5042.035431 5264.803859 5990.890918 4137.843644 4337.01002 3907.577459 4437.586696 4343.423486 4654.810887 4122.955744 4562.645055 5144.265677 3840.138847 4146.216294 3952.241159 4464.384915 5593.931508 5417.210509 5076.731876 3013.310939 5233.110865 4376.050043 4554.704841 3678.994839 4272.078163 4900.197252 4314.523913 6295.596603 5738.789147 3710.352462 5241.53329 5261.383823 3521.484589 5223.66781 4551.727262 5417.040038 4985.461412 4259.924424 5065.856071 4475.302709 3419.584645 4733.584946 4088.217311 5945.761653 4319.960002 4115.015531 5088.684184 4891.222336 4627.149686 4823.073321 5037.144167 4023.519419 6672.756733 6290.633969 3896.659666 5006.304472 4782.490407 5029.132585 5479.432425 4608.301281 4536.839362 5170.071371 5906.526152 5776.413033 5713.865655 4782.985973 4613.22344 3739.840454 7718.879833 4611.574729 3733.161405 3608.826935 6283.686283 5064.863545 4562.863541 3818.770531 5807.130978 5420.111347 3560.070502 4425.676376 5719.373089 4585.473168 4409.795949 5314.380461 4715.49416 4560.771728 4225.18599 3540.342595 4016.755392 5769.773127 4046.531192 3823.212693 3949.392145 5994.633569 5147.243257 4940.797712 4304.588123 No_result_found_in_bank_inhouse +M689T910 M689.2648T15.17 689.2648171 689.2597799 689.2690916 15.16834228 15.1511397 15.1845856 0 125 0 125 [379][M+4]- 7 Inf 66.57072312 0 1 1 0.210769658 0.17524371 1 282.1767231 59.47429143 0.210769658 275.1057948 48.21056002 0.17524371 0.831446572 0.859404488 7.52E-08 181.7694276 376.6330665 194.863639 0.596716409 0.599224171 0.946954697 0.568045662 0.944452468 0.053138723 0.796773674 0.89950894 0.77502739 0.890589914 0.053138723 362.7140252 248.9242146 284.5003271 241.4804942 218.1861524 213.4838587 316.0507814 258.9831399 242.6644255 289.4304935 479.73443 220.6066238 324.7712156 266.0424503 310.3076176 241.3522976 283.1294856 292.9962784 228.3379392 260.2473995 251.0167037 323.8512861 255.8663152 292.6127275 349.8209673 224.5120493 393.5358156 286.9590962 254.4433789 233.4065302 317.4900731 334.737821 267.0771268 291.9039259 296.4363495 283.9434462 280.0817566 419.2282651 229.4295613 231.3884846 282.8273117 220.975597 412.5671533 281.4464482 257.7755491 253.5827127 304.215991 266.9919153 265.6210711 233.2311984 223.9425324 248.7277277 424.3602196 330.2006199 316.8725159 322.2360735 320.1245371 196.6959288 297.3344405 260.8299542 262.087055 241.421492 235.9987008 320.845311 262.5846583 346.3243081 385.09986 182.4590054 288.1608578 263.635493 279.2218919 241.7795279 253.5502247 287.862956 231.6353779 302.1268803 320.0155803 342.1319671 234.3256733 258.0094106 272.2772289 215.3207141 366.5555917 273.8559781 238.7515864 190.7661387 198.7458497 328.8016031 215.9772364 245.3730181 237.9674147 287.1519873 372.2666247 263.7696101 270.6431617 217.5929703 368.6467258 257.6604057 199.7391073 332.8574648 217.0989687 384.4911385 365.9353384 254.4796516 354.7560755 338.8884517 261.3664334 249.0384908 226.7581336 164.6824409 338.4405532 282.8946403 236.1222793 252.9790898 384.4959211 278.3203906 368.6074999 280.1685147 225.2258679 192.8838191 240.788525 378.7309221 285.9073876 No_result_found_in_bank_inhouse +M690T47 M690.0009T0.79 690.0009312 689.9978221 690.0041601 0.790422727 0.787083333 0.8062 0 288 0 288 [383][M+1]- 16 Inf 74.87184291 0 1 0 0.214442468 0.179539657 1 846.7644623 181.5822615 0.214442468 803.9219232 144.3358664 0.179539657 0.837239276 0.865795044 4.65E-08 497.2227846 1302.873563 805.6507787 0.765033814 0.764272287 0.850640686 0.764090011 0.847427448 0.895228214 0.639781915 0.989714906 0.642958223 0.98888698 0.895228214 825.7787535 1076.199984 756.9648208 676.6413417 759.844494 579.695936 833.759328 667.2045686 813.0631745 698.7415645 873.1805728 1026.923428 845.5857015 978.6324027 909.6452243 1059.445955 1274.17821 700.7126267 746.9822531 689.4324929 455.1894741 537.3932979 850.29453 980.8476381 648.7268716 772.8972904 1130.404195 1291.159428 1308.785328 752.9457761 733.4824967 751.960245 672.1322242 951.6568289 679.6301146 635.6675728 851.4988882 620.884606 845.4885351 748.8097219 880.0792907 733.2351537 971.4064815 953.0085936 926.9163557 609.0582325 996.2795079 894.8622575 814.0487056 693.9328944 714.134828 1142.848272 813.4058892 1249.653461 822.9184857 734.6694936 1153.071411 971.7336849 508.5340582 963.8494359 639.6096973 680.0517168 813.0631745 751.960245 915.558411 570.6225188 539.0563314 808.5542756 1007.212805 1239.015952 781.3524014 687.9007222 1096.896137 761.3050236 822.3900308 665.0717966 987.6911604 717.5761497 1165.883316 1179.680751 784.482772 869.2384484 779.0468513 932.3124401 822.8493472 1087.040826 807.1499878 781.5261786 943.1532824 1078.015281 1023.730494 754.9168384 625.5791186 868.2529172 1058.460424 1164.027844 540.094898 619.8990748 1020.02471 1019.039179 1011.095699 526.5181208 1173.460518 986.1708066 633.119882 837.7014525 933.0074434 849.5278259 836.7159214 761.4302015 677.0598798 654.0294853 867.2673861 666.2190375 710.5679379 905.7565963 816.0197678 771.6708674 786.7950331 990.6022094 710.5679379 967.7915604 862.3397305 No_result_found_in_bank_inhouse 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274.5571722 394.8905273 319.1320292 382.0935057 334.7100247 363.2378177 459.3944311 367.216093 349.2047114 272.3597778 373.0865373 425.0052203 584.1080532 419.5741725 358.5396484 288.1984585 275.0027718 424.8994128 336.0491087 382.9485845 272.7231222 317.0866321 317.1541928 348.9773249 398.8057085 488.4675192 372.2821707 324.3013289 318.9496462 412.288724 371.2590863 315.7131723 358.5511932 370.4035405 330.0459686 301.6713201 410.1665827 302.9294851 433.1974186 323.5882959 334.6683216 453.0080228 371.8976914 193.3377997 295.0693929 346.0225572 477.6532217 370.0079623 328.7438769 445.7216238 327.1955789 377.8606332 331.0674583 383.9179475 256.9258531 445.5945884 447.6358701 408.7625351 441.8954637 368.0816525 388.526286 300.2167874 311.4524216 347.2555989 402.9685462 313.3955213 372.0953521 409.2577482 370.5213043 411.297125 367.7994349 382.0292083 480.1105199 420.156524 303.045448 No_result_found_in_bank_inhouse +M691T47 M691.0025T0.79 691.0024652 690.995474 691.0065728 0.788883333 0.7871 0.806116667 0 115 0 115 [383][M+2]- 16 Inf 69.74103273 0 1 1 0.242426769 0.224990644 1 320.2595355 77.63948433 0.242426769 286.3550449 64.42720611 0.224990644 0.928076737 0.907987057 8.97E-10 177.2179005 447.7589282 270.5410277 0.819778203 0.821245135 0.907981747 0.820989134 0.905542086 0.896173123 0.805638578 0.994998187 0.806708233 0.995057132 0.896173123 331.9668928 385.6276882 273.7126259 286.546204 259.1909578 266.8086696 287.7069076 337.4607575 331.5527038 313.1220691 295.0423132 291.1280641 295.1074283 341.9905888 307.44327 279.0206622 433.1425618 247.6678431 342.8013237 390.9670277 364.0721432 316.5628305 511.4353356 272.3522358 294.659488 242.3104851 428.8406003 482.5673803 336.6571551 244.256133 486.5576375 366.2057998 289.7076464 353.5227289 357.0014677 269.2244507 197.9439632 234.2172324 259.5453604 265.0424497 203.2564945 389.6094928 512.9100431 334.1324228 276.377248 213.0713459 459.8035597 204.7049456 246.4322315 319.7794945 369.2333235 302.1097546 281.7126782 295.6378925 260.6166444 370.4008023 297.0023153 364.0297476 370.4766582 336.8030311 200.656573 385.2886503 278.9985966 309.169343 427.403951 190.9822306 205.1615766 356.464918 292.5280597 266.405171 381.4389761 207.2237226 366.1732802 311.5897252 359.5369117 401.5865721 386.5639054 346.0420771 334.887564 393.7670033 282.2130854 270.6613785 728.124411 314.4220418 374.4882484 419.4867521 243.56168 335.8252487 440.1743497 375.7100514 420.1916892 301.4403459 440.1696099 337.7532376 365.9011085 381.2239072 282.2172976 241.6814327 285.0496113 495.8136866 269.2557513 299.338048 202.1056317 350.9860314 339.5602179 184.7033661 415.2522792 277.1793529 279.2942516 364.5027357 290.7572608 218.3304131 318.8177304 275.1495565 335.8878621 366.806787 396.2216799 128.4236101 316.669009 326.140257 245.1476283 234.9468762 266.5279494 No_result_found_in_bank_inhouse +M694T880 M694.2887T14.67 694.2886591 694.2846817 694.2928902 14.66807388 14.65066465 14.68477451 0 154 0 154 [M-H+HCOOH]- 649.295 20 Inf 52.86850397 0 1 1 0.303308475 0.178098849 1 550.6958057 167.0307051 0.303308475 555.1739583 98.87584317 0.178098849 0.587187184 0.960157025 1.15E-13 295.9554116 792.0166547 496.0612431 4.61E-05 4.04E-05 0.76221628 3.28E-05 0.747075902 0.765470316 0.001148519 0.064127356 0.000892947 0.060041042 0.765470316 688.0348468 526.8518336 667.7935776 850.0781056 570.8465101 558.1319554 623.4632878 603.1792853 489.611144 437.7731332 334.5841299 279.6964844 376.5696433 280.4365371 518.1515871 466.9076716 558.6563718 777.4405794 734.5425632 843.8226411 567.3929423 691.838217 571.1976857 401.9070579 436.7654554 588.7089603 360.7163124 587.9669375 513.3785194 313.8803424 561.3909707 735.4478592 395.3655933 550.9928144 520.8227902 302.8940744 432.0042152 492.2647755 564.0128045 619.4760339 397.2176505 538.7679459 771.4828037 595.3196553 701.9433626 769.9931332 565.0182312 194.2477237 471.7737038 378.9186612 514.9662593 675.7245111 341.3692101 650.5202747 433.9571247 437.6916547 254.6971113 414.0622297 434.9886752 425.4760518 357.7873129 606.8321853 730.3806118 308.0370153 719.2549398 583.2747971 762.5628049 564.8089483 610.7283859 879.648576 491.5535761 535.4637359 735.5244492 746.5152114 509.010984 490.2984576 705.1762216 641.2687866 701.9929323 263.1440572 664.9041267 545.8871276 485.541573 724.193674 704.4237521 864.8821883 711.6722466 733.5842669 519.856094 397.2387279 552.3156784 418.324202 307.3474364 640.9767055 401.9543991 762.3807716 573.9585071 396.4768576 398.1314154 574.0820116 393.1348871 1060.487239 416.9421421 506.3696518 598.4446768 845.7700552 728.0926051 672.6175139 467.5190455 454.1542017 562.1314952 684.8998248 648.4061742 538.329325 733.3882848 285.4496921 363.6611056 371.40758 313.1644758 342.1842116 536.9671979 784.3887164 816.07923 No_result_found_in_bank_inhouse +M700T880 M700.3053T14.67 700.305294 700.300511 700.3094544 14.66913218 14.65035003 14.68588707 0 162 0 162 [M+Cl+NaCOOH]- 597.35 20 Inf 60.75466947 0 1 1 0.257415811 0.206577385 1 374.9411224 96.51577301 0.257415811 393.4934411 81.28684588 0.206577385 0.802504648 0.924306768 1.13E-10 219.7135227 570.7176968 351.0041741 0.01146096 0.011659983 0.858784823 0.011763316 0.860184011 0.896173123 0.764042473 0.050187272 0.767698266 0.046960903 0.896173123 396.3286064 357.2224666 413.438084 417.0241579 353.9378909 319.9470244 582.0991916 325.3967766 424.8261873 288.263694 320.5625589 187.5671268 344.744059 399.4233938 387.2731331 233.746063 240.2628113 592.1804195 423.1248618 429.6128656 481.7213959 403.1074624 390.331502 277.4683267 229.814862 307.0351907 325.1525636 392.7742881 292.0092137 293.9969141 301.5109177 482.6065361 331.9605771 362.4561184 369.6795978 479.4341839 276.9807864 327.5276775 453.3190348 469.7527506 343.4420748 342.8574737 427.2440227 353.1399591 462.8597496 464.9291409 577.8523796 265.5297298 329.0183382 146.0835383 352.6085546 471.1435961 244.7680765 388.23513 336.2929481 286.4301628 289.8815469 252.2487206 326.9501682 258.8839421 302.6553801 481.0580745 401.6534547 297.3515051 371.3726985 397.731119 340.2825298 398.1353119 441.9656551 454.6770572 502.6514128 334.9346491 297.4681765 619.3981913 454.4685564 566.7998443 529.6617561 465.8698074 315.9167212 322.8105193 538.5904024 425.331906 347.5891214 449.08465 460.4700774 307.714395 454.5311467 474.3763754 465.033774 305.9372273 662.8221007 271.2611214 241.457438 417.6495617 626.9438463 438.6729439 293.8766998 321.459825 218.1401093 447.1141908 272.8886107 361.7336727 342.1214962 325.7065002 324.1008979 460.1202189 213.5373485 415.6196268 314.4682184 362.9007801 346.568833 452.9705223 355.2793445 444.5361475 355.0488108 392.3879009 451.5618799 160.0333952 257.3558711 344.3958193 417.8578376 490.9267153 387.97619 No_result_found_in_bank_inhouse +M702T933 M702.3207T15.55 702.3207357 702.3154492 702.325995 15.54632825 15.53789485 15.56094936 0 80 0 80 [M+Cl]- 667.35 30 52.47443461 35.42686296 0 1 1 0.337906124 0.220563773 1 304.9080493 103.0302972 0.337906124 314.9044838 69.45652122 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352.700554 373.692148 277.625148 503.5007928 192.6270132 247.3837224 256.4064131 229.2518928 316.5827761 257.4841122 571.3116051 323.2232086 275.724624 196.667759 430.8691548 282.1996989 326.0633831 323.4578785 311.7728808 226.5952001 292.0439907 303.2645113 344.0649152 259.9082953 234.3303933 493.1673972 144.7816007 222.3827724 261.2868501 321.6398574 334.7824837 301.2225028 231.9681419 248.060305 204.519843 364.5762544 351.6068215 194.9474578 357.6064682 553.8616757 169.4719864 340.6570583 233.8637677 294.8091251 240.3102111 331.4925243 348.4617703 377.344295 376.3823542 351.6492056 204.6505037 341.3812699 96.05041431 342.0152102 342.4419949 412.0489254 325.8167509 No_result_found_in_bank_inhouse +M704T880 M704.2482T14.67 704.2482288 704.2441054 704.2536588 14.66751246 14.64930687 14.68622744 0 116 0 116 20 Inf 57.88382203 0 1 1 0.282574566 0.19365403 1 290.1761591 81.99640229 0.282574566 287.8149116 55.73651762 0.19365403 0.685320101 0.935105223 2.19E-11 202.7525119 414.053527 211.3010151 0.293215198 0.28118958 0.745030178 0.286663087 0.72890136 0.927138791 0.142867195 0.999878042 0.147801588 0.999878616 0.927138791 271.9522809 222.4198678 265.0461358 270.4546405 307.2056049 324.3513221 407.9335005 297.9938806 265.9328769 207.6619883 301.5075912 210.0337216 327.1332504 176.6218951 265.8300004 255.5924065 192.1010388 362.5908145 417.3755237 343.536749 401.4552384 478.6389298 353.1223756 491.2917732 229.7518519 371.0856027 258.9402782 279.8756273 177.5768148 231.3023543 230.0586425 354.5522738 155.441455 257.2958521 247.9451175 310.254328 227.3121435 230.0773222 341.5418903 328.965487 212.9465119 323.5870388 328.2319908 208.5503113 214.4948508 260.6341405 267.4718358 166.0233454 227.6308267 143.5898993 271.8391214 319.656105 179.529439 414.2761154 171.1599981 245.7116361 237.8633213 193.6219774 374.2171117 424.8968063 351.6371386 245.9075685 397.7986305 244.0683455 226.3868186 520.3946038 389.0892214 259.403637 329.4075737 354.8502933 330.0255147 252.7100766 315.8819186 356.98961 212.7340239 275.2985252 308.5294018 161.3158514 337.0051213 240.0429155 373.1746593 258.3392466 261.9745948 308.6557639 274.8474413 263.4088095 403.6843199 290.2909583 219.7600191 123.2624861 379.674629 277.8548469 266.9707784 328.7071461 261.5613065 321.3705116 469.3459202 122.9508192 230.4441372 247.4916786 327.7625425 342.5180651 280.5062276 326.3859154 195.3433318 264.647223 278.009475 276.5484004 261.7478627 215.6922903 310.2753872 265.2764808 343.8016267 319.7824137 268.4485326 229.0449959 415.6528842 281.6833278 137.1276149 389.1486032 262.9375032 411.4646299 430.0752756 No_result_found_in_bank_inhouse +M704T999 M704.3369T16.65 704.3369327 704.3317835 704.3412981 16.65128814 16.63680953 16.67269827 0 119 0 119 [M+Cl+NaCOOH]- 601.381 39 76.05309735 45.97414184 0 1 1 0.268184607 0.185085111 1 453.2442221 121.5531236 0.268184607 442.9597281 81.9852506 0.185085111 0.690140696 0.932274636 3.46E-11 284.9945772 639.5772609 354.5826837 0.013755035 0.014169696 0.907981747 0.014098934 0.905542086 0.896173123 0.533570723 0.071347289 0.534153594 0.070857275 0.896173123 429.051802 285.1917371 441.3251583 527.6165363 270.5415072 361.7182436 318.1320799 727.8902912 477.2572464 220.5461573 360.0756982 373.0454932 491.9680496 495.6580434 375.1888627 436.5596913 453.0390609 350.089709 550.2572822 555.0145782 468.067774 506.1910179 489.4556722 356.9534712 389.2734332 572.1297635 438.1706674 443.1723024 422.9805413 256.9120998 465.5499187 560.7486998 343.2389487 409.3519008 456.2220027 614.8225016 420.2471803 493.40007 505.1709843 598.7039452 505.8960857 610.9543637 436.4681672 432.1674131 738.7312339 745.187851 416.1221811 436.4529047 659.8513818 234.5219377 464.270057 423.9580373 276.2870223 639.485396 275.6526835 392.7300456 170.7626032 584.1004526 528.4934615 520.5608754 517.6868645 642.0522719 459.5187215 753.2754344 518.7976206 620.5908048 541.7503101 242.6781955 454.4512266 473.2291013 220.4923754 316.6764027 347.8410002 422.9949529 362.7662922 505.8568275 467.542122 509.1656136 580.4262233 402.594227 458.777669 361.2813828 516.6860444 597.5532607 654.0406908 478.5656193 457.25091 557.3424219 330.1303054 325.5737008 668.0397 616.9948612 199.8684218 354.8221235 438.8498042 483.5541985 336.9448595 478.3581192 306.2193159 275.0224653 301.2401545 480.8772435 489.1981754 444.7099 489.8550114 392.2527082 432.1621724 666.1309062 561.4934029 567.7192439 487.2480617 579.0611789 519.4137316 442.6846186 497.2883025 491.0534562 353.7584688 428.302353 356.471197 385.8589842 432.5669074 540.8182812 467.3655865 No_result_found_in_bank_inhouse +M705T48 M704.9717T0.8 704.9716685 704.9674984 704.9764064 0.80435 0.787083333 0.806283333 0 213 0 213 16 Inf 73.64712463 0 1 1 0.232517454 0.193055222 1 450.0775125 104.6508773 0.232517454 414.3687078 79.99604284 0.193055222 0.830282711 0.853098744 1.18E-07 241.6222328 590.6956766 349.0734438 0.726051187 0.720844003 0.787240672 0.717559206 0.793198186 0.828457199 0.497794523 0.610314599 0.491759733 0.601118346 0.828457199 533.7815886 368.8814455 519.6665242 342.0132748 421.464115 343.1252799 514.4056915 486.742389 472.3942245 396.4776586 358.585729 354.1356114 470.8178365 416.4754266 662.5818468 382.5000209 455.7387939 389.736427 324.7834571 434.1238676 342.9893639 280.2358079 477.2235337 432.4662324 366.8101495 253.2686863 435.18479 421.8392563 567.1346901 385.7610417 508.7476191 330.4684334 407.4208995 411.1605968 326.6599783 475.3922123 439.6189999 368.0393714 373.2947425 305.9459505 376.7388255 413.7418658 436.7999733 650.7451394 430.1513055 414.2134052 396.3348774 321.9731776 342.2981607 346.8548506 266.4197221 578.4646461 422.7625801 562.0224 364.3998757 340.7031152 518.5988921 305.3349372 434.7518012 646.8857766 541.0965459 549.3179544 455.909816 542.7870985 317.928895 283.2583775 223.4731646 396.4971105 460.7024778 639.670867 665.7297684 599.0941066 510.5925076 342.6241054 485.0398014 351.5244755 376.7388236 343.1275253 713.4398702 524.1295369 649.7232014 619.6692439 430.5548491 537.945752 508.743756 583.646376 287.8680293 527.3675418 414.9343809 466.8350405 474.5378667 336.5740953 417.8650251 476.0104434 521.7764942 461.5239948 355.3970435 297.0416984 489.6896474 372.4355389 486.0649972 506.0703826 426.3515224 451.4750302 311.0383147 498.1635802 477.038854 465.3036532 281.0464438 524.3169517 381.0608271 439.2550554 421.858456 258.5918532 431.6739309 390.172915 588.0231328 365.2687027 364.7141807 541.5878257 520.9873652 490.1754783 834.1354417 No_result_found_in_bank_inhouse +M708T910 M708.2438T15.17 708.2437852 708.2377052 708.2497377 15.17000826 15.14435147 15.19636486 0 118 0 118 [M+Cl+NaCOOH]- 605.287 7 Inf 64.14893638 0 0 1 0.230887786 0.193908061 1 250.142436 57.75483331 0.230887786 234.2641724 45.4257115 0.193908061 0.839836807 0.710820046 9.90E-05 136.1377715 326.9744989 190.8367274 0.862920774 0.859991744 0.745030178 0.860312789 0.72890136 0.91798044 0.426903427 0.594498212 0.430717665 0.597739833 0.91798044 261.1693709 352.0932884 371.9125671 215.0263725 314.9823114 299.0066296 280.4626045 247.4245665 261.0418333 253.5882433 259.9157472 281.9778363 188.2627402 234.3208559 219.0183726 271.5376975 178.1119738 335.4783415 202.106333 198.4148931 295.3151897 210.4120727 148.5804548 317.463829 351.6096478 225.1778322 373.8319825 202.106333 193.520312 261.6381018 326.6924286 161.7572101 244.8397409 180.8805537 255.6322111 254.6152934 330.4575225 149.9811928 224.2549722 262.0922309 217.4789774 201.4106842 256.5550711 254.673923 292.5466098 254.8518569 207.6434928 205.2509199 226.192741 292.5466098 213.1806526 239.9435917 221.4863923 238.285796 294.6158432 199.3377531 343.9482491 230.6859991 93.41883648 162.5293147 339.2308534 362.6839674 430.5092748 195.111594 233.4949268 323.1294296 197.4920331 242.7121716 208.4168524 235.3292918 243.6350315 332.6125569 154.0681337 217.7949524 268.5522507 190.1091534 333.1524484 310.0809492 309.7896969 284.1495808 270.4727492 270.9018568 252.8636312 190.024683 353.4553677 264.6904339 279.3528645 312.5273284 319.4187235 245.4807515 276.8579904 189.9065768 214.1035126 150.8402781 232.108056 239.0207317 323.9238487 276.3947634 199.8552748 311.7447763 243.6350315 360.8382475 203.9520529 281.4722902 219.6406724 192.6438957 215.9492325 259.3959808 234.9815851 300.8523495 267.0246403 190.1091534 264.1043072 222.8439182 220.7727488 226.1006921 187.6209323 282.1517573 231.637852 205.7977728 311.9754599 167.4734896 307.0936794 No_result_found_in_bank_inhouse +M708T999 M708.2797T16.65 708.2797102 708.2751099 708.2847842 16.6503198 16.63334527 16.66625262 0 120 0 120 789 Inf 61.10085801 0 1 1 0.260741252 0.219142175 1 271.2955226 70.73793427 0.260741252 272.2277456 59.65658019 0.219142175 0.840458397 0.963258123 4.79E-14 163.6570137 428.532299 264.8752854 0.363718372 0.369115439 0.946954697 0.366958487 0.944452468 0.895228214 0.944531655 0.505346476 0.945445031 0.503966699 0.895228214 166.8918871 214.487992 397.2526198 243.9477953 216.3763503 185.474426 270.5498709 366.6765846 230.5838457 238.5134975 180.6120118 267.960326 221.0992257 154.3072843 274.7935637 261.4601132 209.9741728 296.6331512 241.3312967 435.5870614 208.6758111 355.0172045 235.9221905 229.8471784 238.8846924 251.8393209 272.4732216 295.3044731 215.2738879 257.5541181 286.2654594 426.8472032 132.9967894 325.0250982 253.9184681 312.7614928 385.5345993 187.0639751 315.761637 306.439429 325.9143539 271.4683295 375.3191209 274.7346335 278.5650271 308.2203084 411.4961156 335.4200145 291.5673927 360.8114323 222.0789772 257.7738761 296.7241985 247.6274518 156.0658188 354.7696702 139.5147332 263.1196288 184.3613663 261.3697222 284.8304059 256.7455477 253.2400552 319.994203 313.159294 260.487268 238.5441523 216.3926069 282.6919755 204.7715779 160.8881483 283.7073264 366.5860549 307.3242404 131.0064923 197.9671424 198.3215757 400.3346822 210.5778507 334.5588257 307.3663095 193.0216978 279.9729082 331.8582748 338.4749457 288.4307795 412.6145967 277.7749745 190.6113194 181.3088771 270.5995646 180.8293395 192.4639452 275.3026191 326.9265298 206.9004088 196.4408895 378.1630837 160.2830248 244.0290376 317.990464 204.7655897 198.1416899 287.3725723 211.2335534 288.762722 407.2456137 385.537693 408.4247069 279.1572435 321.8688295 259.2354764 373.4911981 353.761193 252.6618882 249.3942853 298.1768062 261.512846 184.1539323 97.22843775 316.3986918 363.6411213 207.0917357 No_result_found_in_bank_inhouse +M709T880 M709.2533T14.67 709.2532761 709.2508548 709.2557439 14.66751538 14.65394823 14.68100099 0 109 0 109 [389][M]- [M+Cl]- 674.284 [M-H]- 710.261 20 Inf 52.45209784 0 1 1 0.310214428 0.107270987 1 2183.605874 677.3860472 0.310214428 2169.039409 232.6749989 0.107270987 0.345796254 0.982110367 1.91E-17 1653.93452 2803.147384 1149.212864 9.83E-05 8.89E-05 0.828852751 8.46E-05 0.818499383 0.860152552 0.013083747 0.050187272 0.012633661 0.046960903 0.860152552 1838.104201 2510.334 2962.571912 3175.135305 1763.655623 1698.058123 2927.83778 2903.034016 2656.7156 1600.111529 1717.491836 965.6437347 1639.947257 1248.648007 2011.114925 2632.650153 2104.14733 3139.313768 2877.582922 3582.804385 2858.532543 2366.429885 2055.800674 1882.34752 1148.358385 1840.367466 1763.643834 2307.340598 1811.119134 1427.34548 2008.61959 2691.636695 1406.35425 1566.560822 2148.387499 1706.367372 1918.274276 1768.373693 2603.733701 1908.871327 1496.087641 2409.07183 2457.253358 1811.076904 2716.438727 3532.365635 2059.931516 857.8194 2136.764531 1072.135631 1846.302324 2068.156679 796.1937949 2389.784049 1590.014039 1462.650613 1077.958641 1650.456664 1853.900108 1954.448966 1879.242932 1784.232578 3520.659257 1413.362145 2830.286056 2419.408215 3028.571727 2372.199671 2486.566202 2426.426054 1996.884139 2501.104599 3017.232675 2669.40528 1549.697785 2662.837222 2849.492604 2488.398804 3101.741793 1179.454394 2972.417441 2617.487908 2211.828721 2438.672059 2640.013853 2611.166309 2955.720049 2572.06146 2426.712868 980.9915949 2405.520558 1862.061862 1452.672753 2157.281619 1835.453125 2806.441163 1241.273308 1776.876381 1723.659913 2051.646749 1528.951788 3683.74096 1494.831515 2205.367029 1664.607725 3377.789188 2220.727069 2582.361572 2393.071037 1753.916109 2123.711186 2709.740269 1951.785055 2294.935855 2053.974969 1128.029076 2429.186541 1185.827563 1152.167268 1592.155507 2647.852308 2769.620596 2595.847114 No_result_found_in_bank_inhouse +M710T910 M710.2438T15.17 710.2437768 710.2401281 710.2483996 15.1692695 15.1486717 15.18673694 0 83 0 83 7 Inf 66.64578444 0 1 1 0.24418998 0.193165889 1 189.3361707 46.23399582 0.24418998 191.9090451 37.07028139 0.193165889 0.791047565 0.804259349 2.18E-06 119.6725808 302.9558893 183.2833086 0.944118493 0.945121772 0.955954924 0.945837616 0.955848332 0.933686579 0.954973042 0.949139883 0.954931558 0.949936104 0.933686579 119.8093248 201.2278985 149.4047226 152.6077542 112.3201177 185.279414 152.07051 169.4939103 129.766616 211.1045913 194.204407 199.4929584 193.3264791 149.0105044 164.1382725 193.1513525 295.9026403 185.3192858 147.9290029 131.3652839 166.1670556 152.2363521 145.4308136 190.4503645 196.3433101 241.315663 211.1881217 172.7211976 333.4487991 260.5079384 138.3465815 237.6900158 129.7109813 209.7834145 133.8828538 141.542882 394.3978935 230.5000231 235.0922391 236.9219648 159.3627142 228.2203482 212.4077003 199.3101734 205.2655321 162.1642959 157.9385181 252.9309185 154.7882023 253.7665496 170.7542827 138.1027681 164.4988179 185.4555751 233.9247515 201.7989301 144.2566354 196.539498 175.5995313 228.9392973 215.7925516 174.1369832 173.4976579 160.7828738 231.818301 172.5988693 238.6790537 186.0667241 192.2224413 197.9519494 209.3632328 195.186949 187.5312287 235.1498624 157.0157761 171.1397244 148.5115597 211.0660935 202.003931 235.0002309 158.8172667 196.2758849 199.8300986 183.1650846 160.247528 232.9153752 231.8701786 247.697734 91.65640812 193.2663703 209.9309732 180.6501145 215.7568817 196.4422748 199.9872603 215.9186572 203.6452168 216.7901091 184.0061333 120.7282278 187.7664849 147.4020007 191.2214966 131.3100796 189.5964951 179.1775033 210.3557636 90.78775006 232.4840772 194.7012271 169.5863998 226.1952879 214.9934935 155.8932027 161.1102558 111.8098788 200.9459376 202.7614299 192.8568561 187.4682529 223.4908806 142.2299331 194.5284309 No_result_found_in_bank_inhouse +M710T880 M710.257T14.67 710.2570012 710.2539562 710.2598058 14.66753081 14.64901806 14.68100099 0 167 0 167 [389][M+1]- 20 Inf 51.0050835 0 1 1 0.327384493 0.152336548 1 926.7628231 303.4077774 0.327384493 913.317545 139.131642 0.152336548 0.465313877 0.974550104 8.89E-16 610.8662432 1285.023341 674.1570981 0.000158657 0.000170063 0.907981747 0.000159142 0.905542086 0.843428085 0.035324648 0.050187272 0.031526923 0.046960903 0.843428085 622.5114572 987.6834681 1041.427564 1224.497848 654.0492666 712.4338919 1222.756079 1224.402026 1193.337397 771.307524 578.1535779 695.7824501 847.7343117 818.7158023 735.9719581 935.7185315 849.6777259 1479.603959 1376.903255 1345.971918 994.2807499 1127.8548 1139.590341 970.792136 601.4644788 982.3330162 687.6792372 875.078613 710.6870224 524.758228 765.9151698 969.8115115 542.2511522 891.9873229 1067.151109 636.9989117 773.9809863 603.3607541 1204.111702 926.977005 677.1526217 752.0364919 1103.342929 718.8521139 1078.53117 1546.12079 865.6745401 336.4278432 943.2486597 466.5364962 662.5778876 800.1942994 376.574184 1448.421573 532.1290092 932.0865858 686.7890291 719.7373945 1069.08396 557.4124733 864.0129572 721.8649583 1219.808466 589.3040089 1174.679299 1288.658116 1198.21212 979.7585877 769.8868869 1273.232365 940.3682779 823.5021403 1414.458359 1075.303684 673.653157 831.5410568 1158.529001 1265.724793 1895.637832 597.0582473 1443.166152 992.2595805 870.293562 1340.927049 877.1673789 1022.323286 1661.234543 922.3368179 1428.11078 500.702721 867.5997118 894.9765832 572.3838162 1223.503466 1041.30311 1068.556434 558.9336585 639.5371616 571.8572664 768.4995494 576.5218074 1626.239373 849.1506633 681.1396957 812.4804662 1010.923322 917.0983288 1198.296551 1053.452248 729.7935625 792.5499382 1082.133497 811.9330574 955.3154231 923.0633888 545.6730896 862.2579915 653.870899 399.6976316 570.2206145 969.5912274 1228.643782 1203.537531 No_result_found_in_bank_inhouse +M711T933 M711.2687T15.55 711.2686806 711.2647634 711.2726523 15.5488082 15.53558531 15.56180931 0 83 0 83 [390][M]- 30 141.9959545 39.59201843 0 1 1 0.41544901 0.162586505 1 904.2343037 375.6632462 0.41544901 828.5518728 134.7113531 0.162586505 0.391351287 0.942750832 5.72E-12 589.4691442 1162.840981 573.3718372 0.013106231 0.011746503 0.745030178 0.012403818 0.72890136 0.969859104 0.017110279 0.610518283 0.016877256 0.60997047 0.969859104 640.1012855 1123.171696 790.3302475 788.5959999 1134.228214 602.5633603 903.7137919 1436.939641 659.3530192 440.539606 692.7817917 547.6866206 494.9817675 318.5919496 321.9950356 1215.100096 416.4280803 1201.639222 1227.081194 1290.480041 1460.625853 1556.288297 942.8590417 576.4594865 1342.109428 676.6896903 906.0178896 1238.137049 878.7471261 232.6864796 594.8518895 1111.442585 277.9875296 835.6339322 716.5109176 639.6475309 803.9396338 759.0118187 1044.305018 1802.753141 872.2622362 466.3364976 714.0580297 378.2417162 993.0587674 1343.301194 1265.4481 509.7769394 1139.759613 683.0863412 1204.076746 686.1900525 518.6341986 1128.206872 532.8882878 691.7777172 622.5236954 681.5633845 687.0189488 1287.158078 860.6243302 1103.29096 833.9955799 739.8661671 1527.490556 777.6231988 975.0615872 777.9604262 894.5219164 994.0185367 608.2967218 589.3991636 762.3812061 1025.686469 725.230204 722.4836555 1518.31302 697.8723717 1412.48769 408.7669976 835.4307215 1355.505597 1245.041176 780.8193587 989.5905954 586.5680741 1252.654284 1150.219719 892.0788001 503.4936137 955.998998 1346.434942 409.1367793 619.1271566 1150.473417 1146.604399 1458.257133 612.5212398 712.9130147 1006.274211 312.3319015 1374.555432 975.6442458 390.4026454 692.2996019 1518.823536 368.2165933 1433.412654 1360.813217 1040.151133 985.4139358 1412.487892 799.7079421 1141.732804 917.5054332 626.5996319 383.6183975 1022.274087 553.0706303 683.3912873 984.4002149 1540.052037 1146.753758 No_result_found_in_bank_inhouse +M712T880 M712.2614T14.67 712.2613749 712.2574427 712.2648515 14.66679174 14.64930687 14.68033582 0 146 0 146 20 73.86769912 39.75221804 0 1 1 0.335056148 0.17612135 1 478.7981169 160.4242525 0.335056148 491.4159941 86.54884816 0.17612135 0.525647271 0.930294701 4.70E-11 342.4301263 699.652565 357.2224387 0.000127238 0.000132564 0.907981747 0.000127094 0.905542086 0.895228214 0.018567114 0.050187272 0.018501756 0.04893584 0.895228214 455.3434725 485.97289 592.3979996 702.7646353 285.1955476 429.1468416 668.6876964 698.5243306 426.8348206 556.1293325 386.5175651 338.189227 261.3326759 272.3170553 308.4694467 362.9644709 543.7901674 661.078777 629.4988459 800.019085 515.915332 627.7223969 505.8671128 325.6072798 418.3905544 520.8083042 416.8623471 469.8644072 266.7413952 257.961588 445.5262387 623.4844255 169.6461156 336.0362682 391.0744383 214.8899647 337.2236806 470.9134479 633.8374692 408.4379965 407.5309337 444.3813129 548.2063292 298.7869315 427.0598987 523.3999796 415.3747249 252.8405873 556.4377332 315.4141619 362.0930909 452.7774486 220.437248 703.0680907 220.3903539 403.8830014 362.7098864 376.8930987 457.8440168 577.9503131 302.1318367 527.1862695 575.6808412 445.8820292 637.1217395 821.0238837 740.6934145 576.9515791 689.5696155 487.0231091 466.5093844 435.5473709 660.5210971 689.5112549 409.2400508 534.1186088 681.1394877 699.7863647 548.3460764 218.5638846 926.6711644 617.2765039 666.7681225 600.5678435 429.6226087 460.3864942 553.1918811 511.4893967 469.0680553 293.9767269 378.1595639 447.5224778 290.5860151 466.2008361 575.5208012 578.5868186 322.7206121 501.5937289 446.4598151 436.6369732 305.2094972 683.4843813 535.2162679 391.352274 424.4489562 736.2362736 700.5194106 586.5461374 412.0440666 328.3127104 665.5720413 527.4584376 395.6711275 439.1892797 301.3263609 259.2221965 324.4402488 291.7981604 258.3220079 324.2417216 430.896619 641.998453 467.0273536 No_result_found_in_bank_inhouse +M712T933 M712.2729T15.55 712.2729125 712.2692397 712.277623 15.5453877 15.52308544 15.55897197 0 70 0 70 [390][M+1]- 30 61.61553589 33.00721273 0 1 1 0.438278816 0.204765609 1 386.1739263 169.2518513 0.438278816 368.6092148 75.47849019 0.204765609 0.467203983 0.963737564 4.15E-14 214.7529592 530.9491056 316.1961464 0.073946303 0.075749223 0.907981747 0.079178006 0.905542086 0.979529007 0.327015996 0.549936396 0.330993197 0.554407338 0.979529007 214.4310874 272.9945976 468.6089871 200.1501791 483.4515306 348.21143 345.5356817 689.6332461 252.4428161 193.9093811 409.5204697 364.7378152 219.3254363 119.8587824 125.7486741 629.5497561 174.9591273 420.619682 480.3867302 559.6916658 515.6182117 442.5923128 443.2296553 172.7533364 323.1851545 255.9678476 387.5661991 347.8065533 406.3021236 185.2183947 314.8029375 743.8779303 141.5901182 394.1388741 286.3724559 319.2815161 232.5250047 392.8943734 397.7452107 469.5571655 490.3997707 284.624437 275.0195589 352.3601459 283.9212312 504.6939252 481.1165668 185.3322411 583.0350158 304.9680477 443.9200915 419.698565 216.2216153 616.2730801 129.577613 281.4818083 153.1661627 254.4708251 370.9038601 658.8179912 245.9868486 381.8089295 487.3920794 430.7742622 784.9772621 490.5759009 428.1684341 255.7852282 379.8070741 502.4406325 134.8179908 351.0983526 291.3408535 265.1304022 163.9789203 254.5428723 609.5439373 333.3380108 651.288685 172.1880939 349.8001226 509.0128642 477.6109379 580.7159748 483.0518757 293.3427213 629.3519058 350.7408725 470.4348224 247.8434315 367.9565116 511.2946002 240.3505507 456.6865528 448.5815035 334.7556348 343.5379956 389.680321 283.8463986 323.7722789 210.546492 681.0021637 423.4951265 203.5335059 384.1418623 668.1330595 216.1774413 464.5048677 575.150249 321.0131358 347.4468527 663.1463974 245.4039123 357.5054744 611.4299817 195.761855 198.2634921 427.4552493 93.36754734 147.7398956 357.3201871 816.3577456 580.7830919 No_result_found_in_bank_inhouse +M713T999 M713.2849T16.65 713.2849058 713.2783134 713.2897218 16.65021937 16.63496033 16.67028324 0 125 0 125 39 Inf 50.25790791 0 1 1 0.36700231 0.202645364 1 341.869622 125.4669408 0.36700231 336.9027374 68.27177783 0.202645364 0.552163729 0.922675215 1.42E-10 205.9029864 507.7452106 301.8422243 0.209634761 0.213936529 0.963777638 0.210967857 0.962838721 0.877941452 0.673820615 0.551975947 0.667490761 0.554407338 0.877941452 381.8825476 397.3272804 318.7035675 398.4018198 260.7301511 209.902671 359.0486504 203.6229295 232.3055082 338.6454646 246.1168161 315.6835661 197.4348584 236.15011 183.002618 241.166755 391.3598714 280.7266115 379.0485711 428.3184221 253.328779 368.5059576 330.1231912 232.958451 296.673934 227.3598745 394.7882242 404.6998445 258.314185 268.6050695 445.6925773 410.8247314 317.0389887 385.2060125 388.9199904 368.7803541 283.2364298 340.0769567 467.6855623 381.1787052 262.5815042 404.8855547 446.2965052 505.1230961 324.8732812 297.3040495 289.2474333 322.0333309 401.6201338 467.1837812 247.9881846 509.3361552 250.9785786 598.7736453 303.9218239 314.9162286 120.2630677 360.250695 545.6617887 331.3510356 228.1717484 466.2560524 328.3886968 909.215883 344.4307776 373.3693367 392.8150987 213.4221528 296.9797261 313.6242587 119.2105587 307.2058806 323.5554091 514.3559475 242.0754022 181.1372605 289.9558225 678.9711868 384.6595167 173.2208094 745.0779109 398.8938996 373.6503257 299.6906857 654.1737884 304.4797325 265.937848 334.9237611 255.6650989 264.9484526 341.353465 372.6925791 145.9639841 365.7426206 264.8314716 211.9834279 192.9802138 330.8639722 246.594182 277.8996717 349.2079993 287.4995152 338.6039791 306.9264446 295.1855375 313.3100915 404.3833073 286.1310487 477.093358 539.6252419 513.7824475 429.5761643 625.9881084 427.039261 293.7138825 284.4914008 312.8068823 152.9954262 278.4403807 192.6646696 290.6221501 532.269573 210.7974858 No_result_found_in_bank_inhouse +M716T999 M716.2929T16.65 716.2929157 716.2885157 716.2972344 16.65068174 16.63175773 16.66924895 0 105 0 105 [M+Cl]- 681.324 39 54.3446411 35.53136089 0 1 1 0.3411249 0.236647655 1 323.881597 110.4840774 0.3411249 327.225294 77.4370984 0.236647655 0.693727297 0.930457339 4.59E-11 138.2381954 542.3235939 404.0853985 0.079588876 0.079571652 0.828852751 0.079291789 0.82588821 0.895228214 0.966176257 0.073309366 0.967031738 0.073019146 0.895228214 349.6921741 495.5458709 358.1044613 468.2461024 240.1170719 276.1852852 288.5272036 362.7649117 394.9540612 261.3021684 315.8331293 273.8129546 385.8812875 270.492762 180.0366994 316.1320326 304.4902904 302.9995537 412.7095025 478.7270022 186.5600443 598.8491068 202.3616743 306.8831872 234.8822624 276.9476262 400.5710037 253.8517508 338.7426001 280.890461 452.2255365 397.1659068 233.4455533 298.626219 238.5076128 620.161594 293.1249473 388.136383 402.0164471 402.5819038 285.8648991 280.7173521 426.2053439 307.9387429 501.5204424 319.93191 256.6555522 411.2985826 371.6512336 181.9163227 350.7483554 388.2523281 175.6373201 432.8537968 233.1354557 274.1779023 148.9969493 473.8113865 387.946758 465.7306714 275.6892671 611.9618085 285.9511085 443.6880572 410.0617905 306.2709656 429.7553863 223.4203573 444.4611341 247.8610614 164.6203386 188.2933355 302.1695522 219.8528318 171.5660835 454.0789535 325.1965068 346.7706123 566.1233751 344.2391972 432.7014795 319.2889432 359.2136008 352.6977946 477.0892 303.6437036 363.9803073 336.1366127 301.8136517 194.9746256 439.8567489 366.2878715 104.7629822 210.014562 287.8093429 302.3905001 185.4078276 198.2533234 262.7577872 307.0517779 381.1478745 230.577897 254.3837156 401.6613132 232.0604751 324.3381175 336.3821331 348.369719 551.1885396 465.756035 300.6437425 344.3050754 471.754158 243.1225372 536.7241654 296.664251 134.5306921 233.5592706 349.5841776 203.1396964 222.8981373 507.1408773 179.5535359 No_result_found_in_bank_inhouse +M725T48_1 M724.8723T0.81_1 724.8723383 724.8709188 724.8734731 0.80575 0.787083333 0.823266667 0 299 0 299 [395][M]- [M-H+NaCOOH]- 657.89 16 Inf 348.6106592 0 1 0 0.042417674 0.027733677 1 63529.23729 2694.762451 0.042417674 63484.01323 1760.645116 0.027733677 0.653823622 0.739513734 3.64E-05 59778.18775 66783.09212 7004.904372 0.194006851 0.194626803 0.907981747 0.196453228 0.905542086 0.913150866 0.794790237 0.336147874 0.792893059 0.339051176 0.913150866 63419.96432 67037.92934 63068.08135 66410.127 60564.15258 60029.14394 63267.65539 65311.79206 65982.33391 60271.5525 66733.13759 61014.22839 68025.4546 68179.88242 67881.18651 62938.4803 61899.56953 65795.39497 59543.67862 63250.3183 62782.58191 68664.94418 59921.19793 64964.98092 59311.43597 61361.47003 63888.41459 64735.36751 59861.09961 62145.00578 61602.04187 65934.5832 64543.71685 60240.97954 66414.60526 61866.62932 60719.59637 66205.84786 66442.3319 61778.05817 65532.25809 64284.64386 61535.06004 65876.67277 66112.88144 68203.24979 64386.6605 69442.73624 65964.0464 62217.93563 68837.72716 62958.59864 62119.43827 63041.09353 63121.35535 63140.59142 64509.17379 64092.62506 60529.60951 60804.93806 61331.21181 62910.71725 61584.18896 66365.35554 62166.34121 61886.94877 64656.86762 64401.25036 67181.18146 62345.21082 58731.97942 61927.58767 61553.70979 66399.86056 64610.95205 62800.71122 64057.30374 67387.5474 62801.32402 62045.44048 59518.71687 64236.89316 67193.52653 68692.94854 58495.06247 62156.18148 63204.6651 65115.70937 62450.8135 62195.85025 66788.81614 65957.95057 61668.50125 60633.23871 62773.89276 60869.20047 63255.90043 63125.41924 66608.17297 68735.61938 60970.75537 62820.17227 64357.36427 61762.39958 60849.36944 66773.77649 60339.13224 69739.40021 65637.91923 64845.04355 64439.07168 65969.96764 58172.55331 64107.86465 65724.27689 64495.07359 64474.63072 65741.54843 62791.59759 65867.07027 63722.81107 67241.12383 61825.99042 No_result_found_in_bank_inhouse +M729T999 M729.4431T16.65 729.4430945 729.4384605 729.4459059 16.65161023 16.63327382 16.66578617 0 138 0 138 [397][M]- 39 76.46477876 34.53446519 0 1 0 0.443647422 0.165967421 1 666.2063078 295.560711 0.443647422 638.1121856 105.9058335 0.165967421 0.374097566 0.952981994 6.88E-13 400.2503866 941.9505172 541.7001306 0.240859845 0.242285929 0.828852751 0.243795862 0.82588821 0.896173123 0.497794523 0.527705516 0.498156671 0.524444844 0.896173123 731.2747379 553.6413349 531.0370077 701.6075664 457.7645672 397.5376585 751.9746484 916.4691028 884.5101802 427.6855813 455.8846306 621.3190533 610.9794019 655.1579124 298.9099228 619.4391166 440.3717306 670.1974054 773.43209 763.5918413 371.3461498 763.4355338 580.8371198 722.9389555 510.4082719 813.2019861 397.6065954 551.4258209 569.6207962 683.3569618 604.212658 977.567043 370.3475144 605.1332525 1186.923242 418.2858982 279.1705882 353.4280848 788.5890952 310.5788978 609.0994652 469.044187 547.3427042 523.562349 616.6955537 546.1215884 621.1161995 654.2179441 516.9825708 657.8670503 904.5400373 489.4499694 437.444746 358.1279263 852.5512577 486.2758277 349.6682115 755.7345217 895.7897999 1661.863973 460.5844722 387.4516511 715.3158843 851.6112893 922.1089126 521.6824123 307.8652078 272.7558515 460.5844722 1291.181987 448.7856551 391.0268172 923.9888493 944.0326893 704.5993492 601.8198197 581.5289591 1049.089342 1127.022004 681.4770251 676.7771836 577.1405427 799.7572229 719.0757576 734.6027179 771.713983 709.6760745 564.9209546 336.5086552 471.9249896 942.3234252 626.9588631 393.3344775 359.0678946 381.6271341 362.3111151 487.4252714 688.9967716 547.0615567 1107.28267 378.4766653 527.3571187 370.8164308 614.8840321 552.1203385 616.6192117 1219.34522 732.2353139 774.5338879 892.1608004 379.7471975 881.9132937 590.300099 704.0362646 1177.780293 720.9302616 602.5196871 504.7629828 546.9065766 384.0807349 499.1231729 751.0346801 512.2827292 No_result_found_in_bank_inhouse +M730T999 M730.4465T16.65 730.44649 730.4407822 730.4515876 16.65224121 16.63279906 16.66919834 0 108 0 108 [397][M+1]- 39 Inf 38.41024581 0 1 1 0.478567658 0.244012135 1 324.3985582 155.2466583 0.478567658 280.188515 68.36939764 0.244012135 0.509880119 0.915831358 3.49E-10 72.6788585 442.7693584 370.0904999 0.975939116 0.975977533 0.828852751 0.975955476 0.82588821 0.895228214 0.639781915 0.972147899 0.642958223 0.972068942 0.895228214 284.4895119 286.4391155 172.8516704 497.9067913 340.5060169 277.9036015 402.211336 258.1646927 241.3536583 222.824379 207.8789252 312.2836424 343.1818614 300.4602384 131.1939813 243.5368247 202.2426063 326.8952078 432.5543785 491.3628155 202.1684664 635.7427089 233.4316468 278.9487198 470.304348 307.8327566 309.3820484 295.8460771 183.8315533 265.1723184 321.8814389 370.3322815 218.5520976 267.9863857 906.2183888 233.4745415 114.4622423 284.4814159 291.2910771 104.7102368 328.0695817 360.4467244 258.9470488 217.2149525 212.3672737 188.918359 320.9782644 213.4847833 311.5051969 248.8882743 412.5911865 340.324222 264.4865973 260.5884164 350.6519927 268.0965598 222.2766084 414.7271675 566.4073117 865.4388948 156.3451545 460.4852569 216.353498 373.3509629 455.4377178 245.4446578 174.1948986 174.4796874 163.3521409 353.5615788 351.1543442 152.8993323 308.8743818 344.0839546 307.6556318 362.1576641 356.9898879 378.7063952 444.9331218 404.7817543 484.7225442 238.1699408 274.450761 360.4657122 411.7256053 300.90572 280.7214584 65.731039 160.6572196 209.7827056 423.43725 314.3868921 222.8955829 239.4347999 131.0486489 222.7479271 225.5257563 388.7111095 361.6859899 435.953492 200.8935109 275.9091694 133.8902224 320.5417156 251.5842083 263.5355582 360.4917145 446.3657413 485.588001 217.8125668 214.4804496 497.5004204 380.6060247 531.6711084 573.8972028 361.6690799 501.0057949 125.7907734 208.0017921 170.4878449 220.3536003 183.2285992 322.2424816 No_result_found_in_bank_inhouse +M733T881 M733.2524T14.69 733.2523706 733.2473653 733.2566173 14.68687812 14.66849263 14.70642537 0 119 0 119 20 31.03030973 29.677837 0 1 1 0.433597342 0.225981701 1 424.9718546 184.2666667 0.433597342 419.5966374 94.82116179 0.225981701 0.521178704 0.920882731 1.81E-10 240.0882041 734.9873624 494.8991583 0.03529057 0.035341547 0.847700331 0.033565613 0.83800343 0.858832892 0.14978964 0.549936396 0.147464278 0.55150849 0.858832892 356.2394591 445.0067595 404.5555701 494.5886921 296.2673087 397.9061541 271.1629664 743.5419277 405.6087814 143.608973 274.3126351 213.0210672 219.3882691 140.5049571 370.8729452 734.3757067 422.6068836 746.7659732 449.6228621 485.9412034 497.0145667 667.5058277 421.6896199 269.6224265 412.0027943 328.8747698 404.4718965 698.4599721 366.8831023 115.5770719 358.7299776 379.0451261 244.1782741 247.422889 481.8134327 413.2020446 322.8522044 604.0433108 372.4358418 359.0938129 551.9714418 216.965533 724.5862713 186.7877182 457.9456794 547.8024705 493.770917 134.2946903 442.3652489 297.9827353 382.5389167 372.7523984 204.6845482 349.5777639 268.0466044 436.7241758 384.7380669 241.9774204 534.4543212 430.2922673 458.0506623 421.7391151 519.3788023 165.6308779 619.5517323 382.5987614 689.3371905 386.7568201 269.8750688 382.0363474 373.2701299 295.1339455 419.1589911 449.7360714 208.4060295 501.3433434 518.7366942 353.7073974 611.1600298 359.0661575 625.0504516 652.2314545 575.3032706 541.1302849 597.2614872 230.6490949 379.8474244 247.9518974 348.7313624 168.6674165 665.8377128 267.3801486 290.6685143 551.4204288 392.0530466 458.903416 692.8705512 426.9655952 231.7835885 231.0732345 285.1837151 483.5792633 360.4086461 336.8936216 308.1744289 920.0581468 387.0928007 757.672117 547.9516633 482.8771515 319.2950641 640.6701416 542.0493045 479.3483104 348.267236 213.0167223 250.2313467 127.3519922 190.7600571 306.8267898 329.4260411 615.3441499 492.1718001 No_result_found_in_bank_inhouse +M743T47 M742.9693T0.79 742.9693344 742.9660122 742.9726605 0.788883333 0.787083333 0.8062 0 304 0 304 [405][M]- [M-H-HCOOH]- 789.993 16 Inf 71.00816542 0 1 1 0.223459263 0.130179315 1 1645.28715 367.6546538 0.223459263 1527.191867 198.8087911 0.130179315 0.582563968 0.950546394 1.19E-12 1207.066142 2015.233329 808.1671864 0.274100497 0.27925271 0.991027302 0.282339202 0.991285998 0.897437208 0.751481197 0.598910762 0.750930647 0.599641293 0.897437208 1393.777242 1755.793779 1573.226757 1439.807666 1987.560367 1847.848408 1227.3956 1507.845822 1627.537686 906.083612 1162.495041 1766.992835 1800.288995 2240.732126 1707.889091 1028.648473 1177.426441 1399.127193 2084.993893 1227.00068 1416.295744 1426.805953 2443.142234 1299.468257 1867.183265 1915.786731 1808.317138 1020.995177 2309.362513 1687.57264 1251.885133 1465.947302 1566.251257 1309.927425 1454.022731 2187.447471 1509.462019 1872.625237 1393.718787 1786.615892 1793.898127 2088.651705 2483.472462 1412.005426 1465.394459 1542.832367 2179.534916 1391.228407 1828.596607 1553.67553 1067.570717 1472.499382 1881.080371 1838.254398 1734.46133 1072.104628 1596.094858 1968.729397 1587.759029 2112.807189 998.7018972 1759.401447 1461.136897 2161.698178 1712.664945 1916.017323 1937.925052 1281.133617 1195.011586 2059.34506 1588.595845 1554.266463 2344.58827 1430.98156 1586.175363 1295.398693 1248.323474 1602.566428 2105.253367 1751.999987 2079.351116 2071.839682 1851.58656 1673.386695 1582.895257 1106.535286 831.333091 1902.141672 1468.07226 1709.81409 2040.142578 2099.521418 1172.637032 1276.786188 1332.476881 1609.209325 954.1786478 1634.717494 1252.477632 1424.359284 1656.613787 977.9798868 1642.076017 1281.545627 1788.23942 1346.30605 2553.21913 1668.195727 1971.538344 1485.880708 1749.348381 1300.572742 1876.924935 1439.097082 1673.623054 1786.306038 1336.56966 1481.176357 1024.266131 1365.675515 1228.303772 1369.242458 1532.378162 No_result_found_in_bank_inhouse +M744T47 M743.9725T0.79 743.9725155 743.9680049 743.9772787 0.7888775 0.7871 0.806116667 0 93 0 93 [405][M+1]- 16 Inf 61.53544501 0 1 1 0.276724473 0.228407619 1 302.7065438 83.76630884 0.276724473 293.5722135 67.05413016 0.228407619 0.825397248 0.878399274 1.67E-08 179.3630588 442.1773134 262.8142546 0.975939116 0.975977533 0.745030178 0.975955476 0.72890136 0.991394684 0.295175335 0.999878042 0.296071184 0.999878616 0.991394684 259.669131 300.7860783 215.185791 302.2741522 392.7241662 188.3222027 154.4262668 199.624356 550.9356888 334.1977562 310.7503382 350.4367927 299.7368278 438.4809898 304.3427478 275.2240666 174.202389 204.904896 390.202383 225.9799187 325.169081 221.3213359 458.2997273 217.0139795 358.646948 371.898853 221.3194746 238.4625684 398.7765762 383.9893745 180.7496963 237.275331 288.5959437 182.6360631 287.6765814 464.3752168 240.98494 388.7661862 351.5280678 166.5497575 289.847581 367.7191657 448.7539649 287.4555517 248.5366644 358.0953242 336.279754 203.9607168 291.0670272 244.5575134 291.0488239 339.2599772 352.0990113 157.0031325 385.7952648 223.2472827 413.3445663 417.0217132 221.6291314 237.9840911 192.4739383 396.276967 216.9922691 238.6293993 334.8552179 282.9431184 345.9304271 319.6951027 276.098716 315.4162402 186.8410065 335.0922944 369.8721077 301.2710413 319.1424755 247.8091927 125.7412661 256.7767053 618.3188869 375.7776582 288.3049057 327.293392 329.4268406 487.691261 278.6179541 302.950459 203.9327065 455.7744744 251.3265504 261.6509121 311.7711872 371.9275736 494.8616352 243.1976216 245.2063709 206.7281352 172.8960791 197.5790822 310.4069867 231.1729711 299.5523027 304.9551581 311.3048944 269.9517865 231.8632268 314.4008039 342.8959741 454.3618011 367.2519613 266.1650745 417.7982088 265.9451522 286.8795465 284.8375217 218.5672941 348.2964679 267.1764648 299.0253124 209.3389289 201.3351266 253.3103162 217.3323162 195.4722148 No_result_found_in_bank_inhouse +M753T910 M753.2407T15.17 753.2407096 753.2346761 753.2446157 15.16773252 15.1495615 15.18630478 0 182 0 182 [409][M]- [M+Cl+NaCOOH]- 650.284 [M-H+NaCOOH]- 686.261 7 Inf 85.838637 0 1 1 0.188325124 0.135298228 1 373.0975876 70.26364933 0.188325124 372.165129 50.35328266 0.135298228 0.71842899 0.76641501 1.26E-05 237.1613231 491.2972712 254.1359481 0.479069688 0.480456811 0.878499651 0.478007891 0.874275851 0.860152552 0.779898447 0.575755977 0.776963517 0.573069114 0.860152552 368.4075683 353.7642211 274.3153654 480.279174 235.1685378 369.0272348 417.4083812 482.6441719 386.4637898 277.8326444 475.1064532 313.3758069 368.0727748 517.8734362 313.1539 456.9135433 319.2253101 273.1150966 327.6579253 396.7965435 252.0734494 389.4984862 301.1192837 460.5520237 308.6193742 306.5320712 292.4650591 380.7511299 301.2278844 368.3989648 410.8388497 396.7819761 278.4894511 430.1308662 390.1521521 358.8122682 341.8873345 487.1652749 342.9006416 281.8085904 493.8810567 315.2174147 402.4493063 389.59527 447.3165788 326.1739933 392.6571842 400.7990829 324.2053756 403.7081653 387.7450389 375.6939386 444.9938632 278.3606225 331.6036619 351.1781951 373.4134698 443.2116304 298.9104265 284.8300961 328.2104932 412.9545189 277.5200507 240.0306995 254.6852944 348.362752 450.492892 431.5575736 321.9781003 291.1613387 477.4231852 212.0728828 425.991041 305.255975 287.5497167 441.3858151 324.4757118 431.5871545 328.2552311 415.6496118 293.7914375 317.7840296 366.3918669 476.647756 335.2274247 432.6840575 402.0859523 332.6177864 347.5532971 340.2458379 403.6191396 324.6674039 373.3372294 342.2024069 516.8229289 366.7458145 350.8096378 407.9644652 279.9815165 375.6422461 348.3528487 530.5120625 393.20489 338.8747194 330.3513004 378.2990883 391.8334151 294.1723713 340.1139059 312.7764997 364.4783832 384.1857289 335.3924546 396.3929814 399.3253191 389.5353487 521.9927894 262.2459174 449.1999216 355.882043 418.7895394 316.0764896 358.500465 No_result_found_in_bank_inhouse +M754T910 M754.2445T15.17 754.2445231 754.2376165 754.2488873 15.16651673 15.15000276 15.18764152 0 81 0 81 [409][M+1]- 7 29.63670238 26.08408793 1.93E-08 1 1 0.260071421 0.223695303 1 192.8467886 50.15393837 0.260071421 187.6012465 41.96551765 0.223695303 0.860130274 0.778712695 7.40E-06 98.57378545 315.3706887 216.7969032 0.975939116 0.975977533 0.715391897 0.975955476 0.695696123 0.959044975 0.157056109 0.538346554 0.160586439 0.545042372 0.959044975 166.7747077 151.8255182 174.0101513 154.2404208 154.5798954 165.2265579 172.1255252 169.0324078 210.5831802 159.6141446 228.4446829 175.019953 221.4032912 153.1085852 196.0404958 176.4761274 106.2896437 123.2995571 151.1316732 245.647736 130.2738856 206.9624318 164.4767202 233.2085069 175.2089583 115.9554973 158.5458553 167.444327 159.4430534 218.6861941 268.9538439 258.0425591 245.753886 232.8359933 222.1616071 223.9325488 180.8932186 172.7600827 224.1961248 166.8678788 216.9216466 171.3064645 220.4285847 204.7507559 238.1177144 204.0840872 276.1120137 201.6523164 316.2936759 122.8725863 157.2661158 142.9656962 154.9762936 156.1709606 279.5538134 197.9423302 141.9030745 225.5008083 194.7898356 220.6024902 197.2689075 192.0811425 296.0866607 276.8560905 153.0024862 193.9283691 199.9200694 258.2207236 177.7752648 201.6939663 201.0258802 215.4641051 176.5397496 233.7116789 131.2287295 167.0058517 291.7519313 184.7566118 178.7605127 181.120024 197.6150688 274.0833457 212.244455 226.6526101 152.0325132 160.7308716 110.7908915 105.510896 252.0755436 256.8833979 153.3607299 149.138868 153.3556261 141.0621072 262.3797476 165.4886294 122.9027615 156.7244585 222.0266147 192.573812 209.0663713 203.8328889 164.6964354 288.316417 318.6567741 115.9966662 188.6194779 131.4314816 244.2833028 113.0418829 356.5049524 186.2220232 298.385409 203.5094221 199.4100964 194.3156221 239.1136796 164.6988616 236.2565579 272.3052288 235.061384 197.2474776 175.706085 No_result_found_in_bank_inhouse +M757T47 M756.985T0.79 756.9850423 756.9827676 756.9868435 0.790423485 0.787083333 0.8062 0 310 0 310 [412][M]- [M+Cl+NaCOOH]- 654.02 16 Inf 82.53301657 0 1 0 0.181657236 0.133493665 1 3577.759416 649.9258852 0.181657236 3382.517634 451.5446765 0.133493665 0.734865665 0.956428378 3.03E-13 2579.904951 4327.287425 1747.382473 0.753062678 0.752179857 0.828852751 0.74553284 0.82588821 0.507044165 0.548745815 0.990076385 0.533839522 0.98888698 0.507044165 3456.36687 3924.629664 3357.296804 3116.130362 3172.110754 3001.387676 3417.648628 3485.2461 3075.684949 3781.482077 3280.465525 3232.749662 3916.67702 4252.676216 3902.759894 3624.417364 4218.876663 3187.021961 3426.463551 3500.984412 2663.841467 2731.704286 3449.202407 3351.107351 3085.165753 3415.023618 4073.741733 3688.500125 4148.297768 3020.016444 2891.903839 2995.164432 3409.695985 3572.214914 3758.564178 3193.980524 4226.830124 2959.377535 2852.316901 3330.943858 2964.347938 2808.277305 3507.973331 3676.109548 3820.0515 2453.39058 4068.30441 3075.684949 3917.671101 2913.130861 3107.484809 4319.355701 2831.990514 4975.372712 4673.172252 2492.314775 3460.394088 3770.547192 2597.532247 3662.192422 3030.951329 4603.343116 3581.671905 3198.950927 3317.246502 3200.939088 2045.541546 3094.757516 2640.277707 3876.643205 3639.357242 3089.602076 4113.504952 3417.127485 3509.524397 3342.850218 3593.175514 3506.600862 4838.189609 4512.131217 2955.401214 3862.002595 3712.630824 3669.150985 3459.900962 3401.743341 4128.416159 4308.344722 4504.178573 4820.481741 5125.446452 3673.127307 3346.042788 3021.010524 4967.420069 3367.501727 2871.741897 2976.276903 4650.308401 3931.588227 2535.433733 2511.607897 5499.670459 3755.706745 2869.835478 3932.582308 4195.791565 3608.512077 3375.897249 3874.906599 3630.381847 3466.821638 4199.989952 2949.436731 2821.200351 4292.595898 2889.791903 2556.774948 3722.653238 4509.190725 3368.938686 3888.842767 3763.588629 No_result_found_in_bank_inhouse +M757T1040 M757.4745T17.33 757.474541 757.467759 757.4788028 17.33303186 17.30935909 17.36555191 0 159 0 159 1199 Inf 42.55493118 0 1 1 0.406342565 0.184769555 1 371.2392801 150.8503213 0.406342565 333.3124528 61.58599354 0.184769555 0.454713758 0.936418249 1.76E-11 201.8385551 491.7753936 289.9368385 0.7254405 0.719105309 0.748298881 0.720956819 0.735276384 0.981739117 0.327015996 0.783330869 0.330993197 0.782453521 0.981739117 327.3337089 298.3107031 177.3347421 312.882034 338.5231393 329.5631941 407.3963446 319.6472913 479.7016495 348.9359952 284.0046036 287.8660235 382.3130055 290.9483023 312.3357178 602.3460843 345.4274126 378.9304168 407.0724285 223.2604181 314.1171407 421.3305576 434.638093 418.9395512 338.0447983 361.4627198 285.4742361 333.2982774 287.999794 403.9390573 210.892839 446.6867763 231.2782284 280.9791569 716.9473329 266.1486875 203.1211407 182.2100492 326.1024995 201.093385 390.4714935 296.235514 268.7052936 303.0184652 311.2959007 317.9277585 449.8856568 450.9149599 355.6999297 367.4317704 381.8749544 251.4478387 445.054775 298.8858132 327.1859574 258.8343778 285.1948911 346.6878261 407.5825737 686.7769113 230.6986407 188.1162638 272.435716 465.561714 476.8192487 358.7737569 146.5348105 170.645871 208.1329304 549.3610344 256.6202032 345.9862541 533.9856335 356.4096399 289.920049 450.4275189 285.1957547 326.1900822 481.9602565 408.9324724 293.1817322 395.8459366 302.53586 408.1412006 249.3035568 336.8718292 375.3742877 224.6237936 263.4108415 365.6482449 491.9945232 270.8918985 303.4939373 388.9373506 229.7749314 261.612834 312.9600797 291.1548603 636.9102882 583.997967 246.7574089 262.9441751 275.6432465 296.4350107 225.0060002 253.9563981 611.3139623 334.7559488 417.1652772 281.9123279 206.0126852 325.1195783 356.9801736 466.543195 699.2522172 361.3383395 420.6864049 249.7322176 277.5139499 309.9508887 335.3336074 382.0421597 560.282699 No_result_found_in_bank_inhouse +M758T47 M757.9882T0.79 757.9882047 757.9836916 757.9920829 0.790284028 0.787083333 0.8062 0 246 0 246 [412][M+1]- 16 Inf 66.54494724 0 1 0 0.257689615 0.197073278 1 720.94393 185.7797638 0.257689615 668.6276964 131.7686517 0.197073278 0.764769964 0.857191533 8.83E-08 411.9020861 1064.306547 652.4044612 0.508063507 0.512880298 0.946475109 0.508133379 0.943247809 0.843428085 0.754343635 0.840052954 0.750712678 0.839627925 0.843428085 809.5078975 622.248966 601.8552499 676.9142705 473.8135886 471.6653702 630.113092 541.641675 562.2850056 614.3848401 499.371998 801.1578314 716.6184774 726.4486349 572.1151631 979.0836811 890.4599609 497.4059665 670.8096651 589.0374581 597.1935692 543.2126772 630.4690416 745.0352588 655.6966206 641.0273491 773.6333906 892.3970635 799.1917999 783.463548 585.0692431 376.49503 752.0070442 714.5000013 734.9143884 694.9921311 520.0153286 973.1855866 655.6414865 757.8802831 638.9602337 511.1681869 868.7249995 694.0091153 926.2124388 480.6946989 1061.379263 734.3127608 609.4697613 443.7546342 670.2136755 683.8891417 654.5183428 807.0559259 735.2957766 636.3921898 694.0091153 923.0517837 330.29329 770.6843434 543.6077065 828.6704966 682.2129264 741.193871 648.7903911 956.474319 557.3292734 544.5966443 453.170258 819.5295918 744.4128247 1035.115579 641.9092809 770.397847 506.8116915 579.0302948 554.2601344 679.9273808 911.2555948 1042.979704 510.1851712 793.2937055 752.7411734 863.0878233 638.2569106 736.2787923 624.2149975 795.259737 1065.589067 1029.698914 897.495243 893.5613114 672.5515238 525.9134231 1125.553027 618.1798098 436.3445306 555.4038954 685.1619736 541.641675 489.6635381 583.1896278 772.438493 602.0887198 456.1396957 683.1959421 794.0732889 851.2916344 634.0451549 734.8992211 642.8922966 681.4596972 795.259737 865.0538548 695.9751468 803.5175659 535.7435805 447.2721636 628.94566 860.8277682 854.2406816 704.8222885 510.1851712 No_result_found_in_bank_inhouse +M759T47 M758.9899T0.79 758.9899331 758.9838751 758.9966449 0.78895 0.788816667 0.806316667 0 71 0 71 [412][M+2]- 16 Inf 65.14546015 0 1 1 0.266425236 0.218259054 1 265.5784067 70.75678974 0.266425236 242.9291844 53.02149399 0.218259054 0.819213139 0.75149703 2.31E-05 134.2142333 391.9383726 257.7241393 0.912449725 0.912049334 0.812332331 0.913769063 0.810685871 0.897437208 0.532263774 0.825522489 0.533839522 0.826905887 0.897437208 281.6956185 302.8476078 270.1232954 206.7081755 226.6705709 215.0269015 350.8709914 308.9998148 198.1500492 298.9638756 235.8744998 323.9609636 223.5360066 411.3619786 205.2753014 240.0126947 267.8558625 148.0395079 255.0713146 316.9638237 154.62426 288.7608908 260.8765511 293.345019 234.2577583 132.0827058 345.3646348 294.5826141 374.2765804 217.9177632 267.3503731 237.1731463 206.5938985 229.2931719 299.4641202 271.9573016 385.9904783 208.938122 174.0039905 269.549139 220.1266188 143.5304061 295.5970514 264.3116173 283.7448603 106.2023227 214.2012151 254.7824458 217.4442775 160.3353523 367.406861 344.5943058 242.1821052 273.6657446 293.1708339 207.7034138 302.9950937 323.6733807 184.9604883 181.4522416 162.4658349 200.556245 246.5148408 273.1886272 190.3680305 282.4991473 215.2090713 294.7083362 119.9290316 323.6494782 301.5629356 185.4596817 274.1114424 344.0298186 356.9004412 226.9591023 243.9555831 350.4660398 357.3967764 530.2049062 269.4627517 233.603042 230.3042522 334.8924155 235.9002126 237.1843314 159.0930102 301.2832212 342.2810784 368.80373 313.5858288 345.537208 211.5764422 142.2046126 460.185906 265.5737596 195.9498941 202.2890247 324.958139 342.9426442 263.0942608 164.7783968 366.5464429 315.0478921 268.2710802 383.5092317 230.7609136 387.9120854 291.2012868 227.8657829 225.2879599 280.9252789 389.4903179 166.6197962 246.4710643 299.5245002 323.5568266 311.0658315 171.7616265 376.0168591 294.1605161 223.3503654 345.4817444 No_result_found_in_bank_inhouse +M760T910 M760.4806T15.17 760.4806031 760.4764416 760.4849085 15.1692885 15.15386012 15.18381289 0 87 0 87 [M+Cl]- 725.509 7 Inf 29.73535744 0 1 1 0.287349909 0.281352274 1 220.9224837 63.48205548 0.287349909 213.9344673 60.19094883 0.281352274 0.979127766 0.865477116 4.77E-08 95.7478453 383.4875712 287.7397259 0.94528967 0.946630407 0.959805164 0.946659897 0.959833138 0.896173123 0.949441343 0.999878042 0.949474761 0.999878616 0.896173123 173.8167697 144.2033729 240.1650603 244.3942165 172.9450579 202.7484548 198.0533079 230.3013507 353.2761938 170.4726577 142.3283996 206.8744432 307.5519962 222.281705 351.2234567 262.693666 244.9186615 168.9890762 193.8284641 341.6561103 181.2160565 310.7814657 212.6306631 307.9607979 298.8820392 156.7640821 298.7542614 239.9548715 181.0251819 207.7718745 218.4858105 118.2664256 203.0100556 272.8233885 237.3904357 332.5250092 171.7756093 172.2568882 241.4697167 245.4094817 259.3718143 388.5210151 302.2050136 327.0159855 136.6358466 167.3888774 269.3923805 139.0661571 325.8252762 274.2927918 232.9191697 152.5795515 223.752077 230.994186 127.2221407 235.5086373 186.310564 206.086916 171.5932693 252.4759247 325.7150944 365.0320756 137.9189702 271.9612021 329.8338552 233.0268582 290.3255174 229.4430261 100.0337921 203.6922436 112.9652947 216.3972401 225.5731539 183.3603637 305.3717235 195.5292136 273.5643117 218.3194075 273.605794 96.41329807 142.8994053 131.828015 245.1946749 146.662018 251.4230851 271.1856661 143.9767793 172.2891059 204.2045582 215.4059921 201.4320383 325.9169091 171.237529 212.1712346 245.2197268 226.064807 294.7658005 164.5087317 154.3367409 190.4414863 143.982022 229.27905 244.1194633 196.5058672 363.7844699 193.3634689 206.3628859 169.658998 212.5122628 246.6078556 202.4604691 283.7124013 237.7173082 209.4567653 151.5001124 244.9513792 227.775077 209.2539824 195.4629145 177.6515278 170.1106623 138.2273604 153.6688299 No_result_found_in_bank_inhouse +M767T910 M766.5602T15.16 766.5601517 766.5519789 766.5643355 15.16454697 15.14555107 15.17969589 0 180 0 180 [M+Cl]- 731.586 [M-H]- 767.564 7 47.32471069 36.42406967 1.78E-14 1 1 0.259227226 0.181412988 1 313.8936493 81.36977985 0.259227226 306.3816092 55.58160331 0.181412988 0.699822281 0.952550298 7.59E-13 199.234055 415.2739607 216.0399057 0.983669826 0.982989467 0.748298881 0.982508504 0.735276384 0.903641073 0.335778651 0.999878042 0.336138416 0.999878616 0.903641073 314.5276637 220.5148394 289.8062548 572.5959162 400.618491 337.0510002 289.483258 284.5536229 234.3954798 207.973575 219.0653041 448.2295351 265.6292857 238.3804232 236.4970167 440.3117942 348.2639003 307.3829458 283.7190172 413.7953053 526.8852608 369.3493668 336.0050319 270.0955125 724.2711288 320.6630295 351.3688246 221.1099642 335.2336003 165.2178868 309.8486696 289.0921397 283.139386 287.0590964 550.080921 292.1232554 375.4765681 190.7756968 335.6786491 209.7727162 298.8343838 302.9898225 361.2311982 235.9633612 334.5786667 248.8734233 186.6037748 294.3850397 453.8703558 407.1152405 321.385877 214.3752965 169.0482496 253.5516378 199.4528999 385.9631781 230.4044843 304.6580651 436.2197205 339.5313385 288.4850328 325.575343 438.8182159 370.5439507 351.1652027 301.5248955 326.326929 289.3590476 380.5356473 300.2081603 320.5692219 310.8111675 258.8928828 270.0460216 281.6258476 310.0783106 294.3940963 318.1287426 288.1128872 259.8259927 398.7718602 324.0272786 275.8335208 205.9657042 319.0043406 259.0533236 411.5940311 321.9466364 282.9913489 223.7354135 279.5367273 322.7782201 238.0040972 442.2711208 348.8754507 250.3516631 409.3516222 411.7101783 187.9078274 270.2746966 208.7183007 349.8043296 285.8314627 316.0747016 404.3281947 317.3147236 189.1807233 320.5107036 294.7602712 251.670868 307.7865789 343.5903554 254.1582233 278.8283245 475.9846994 293.3655297 297.4701998 215.8822205 322.8892356 298.0777385 370.7185827 392.3399994 303.8920993 No_result_found_in_bank_inhouse +M773T48 M772.9588T0.8 772.9587752 772.9548318 772.964322 0.804166667 0.7879 0.806543561 0 209 0 209 [M-H]- 773.958 [M-H-CH4]- 789.993 16 Inf 71.35581238 0 1 1 0.228440866 0.190106419 1 464.7710031 106.1726904 0.228440866 415.2271341 78.93734346 0.190106419 0.83219094 0.839293935 2.97E-07 260.6475182 589.3352137 328.6876955 0.970352632 0.970573672 0.858784823 0.970869742 0.860184011 0.895228214 0.758319949 0.838977714 0.757807963 0.837982462 0.895228214 465.1976174 363.6272702 396.6886735 390.4633008 427.675266 345.7042368 736.9017929 462.6405866 483.011312 416.8494778 407.6293748 538.6608579 394.0155007 490.0085587 449.9429927 594.5325706 517.8945707 348.0352316 399.8003563 517.0882636 409.7602988 376.7290487 658.7927136 457.9411361 357.7969485 291.420277 608.1922868 518.1655379 428.8259827 503.8623291 438.1590081 296.2386587 477.2142557 604.1703198 466.9842702 565.3042729 455.891266 381.5192507 374.2930652 368.3204922 312.7556859 412.0714784 457.9700542 498.0609951 537.7105303 371.1913705 509.1022104 387.5733369 443.6336981 369.4717198 437.5708409 673.8301758 330.0085356 490.501251 575.512395 284.6760579 412.0702661 479.7833431 375.0369048 648.2331226 290.5800779 394.2611808 538.1314482 525.608103 367.7857808 403.5019741 297.9475466 445.4034744 419.8389123 782.4706894 591.6126583 355.8566868 683.5098441 324.0321436 446.9772855 541.6699991 329.4268625 500.4944136 515.1656322 639.3374594 633.5123847 370.1403373 438.9941754 402.554123 578.3166477 427.4283547 468.6334585 698.2914855 527.1908467 465.4230558 616.7639233 469.5680034 468.3252521 437.5270986 635.5340217 387.9246933 297.7882958 388.6551429 502.486713 431.0187786 500.9911559 332.3645866 573.495302 429.8877617 392.83222 611.9941206 512.7042963 407.2905355 426.4493531 484.4740619 400.1073483 587.7063123 659.5216528 524.923744 455.1312975 407.0068989 368.766389 410.5124529 452.676359 618.0312496 488.0849164 615.5231779 485.9306035 No_result_found_in_bank_inhouse +M777T880 M777.2406T14.67 777.2406331 777.2346291 777.2446749 14.66806821 14.64930687 14.68713999 0 106 0 106 [M+Cl+NaCOOH]- 674.284 [M-H+NaCOOH]- 710.261 20 Inf 58.19901169 0 1 1 0.269396691 0.171349736 1 283.2814929 76.3150967 0.269396691 293.8793415 50.35614754 0.171349736 0.636049891 0.935462666 2.06E-11 170.5820177 432.1996493 261.6176316 0.07936992 0.081137997 0.946475109 0.080060972 0.943247809 0.895228214 0.650737349 0.256910311 0.648342483 0.251805925 0.895228214 304.4290656 272.1069011 338.4935158 297.1436718 291.0016176 223.8560584 234.279863 327.4248721 333.623525 129.8959281 254.2670686 150.4533256 166.8952365 276.2128395 240.8533897 324.3798908 334.4118233 270.594966 270.6727891 374.5877176 306.033221 424.1234977 257.6439145 206.2867891 228.8566795 286.2333047 241.7362747 238.7259221 245.0691808 247.2783898 296.3872228 358.4772705 199.2844721 327.3617974 335.7287687 207.498015 256.9913941 312.2111117 339.004689 262.6110978 327.0575121 368.6230063 302.8953963 296.9873134 274.0516804 259.1890114 230.0804483 218.1031805 305.1160216 165.7206345 341.112084 360.8174021 179.5729156 289.7156606 204.412075 190.2313594 232.5697946 299.7510803 188.8296116 273.4699818 208.8283948 189.2909671 255.781842 156.5782513 359.991965 410.0449929 363.9181453 249.7920379 255.4715511 294.3121272 282.2222362 239.6697509 345.1826169 380.9235409 264.0057767 385.3645768 347.909125 332.3639284 344.1622148 250.8261763 379.4022912 424.1138588 216.2940289 261.1376705 309.2741464 297.8607172 323.6564334 282.975711 315.091032 195.7713789 252.8574959 248.8383182 213.7404127 251.6068708 308.8473047 402.4341655 185.512915 242.8047537 334.8761131 421.6827536 202.1983399 344.4398743 259.9936428 200.6356907 223.1199086 287.2918487 387.4261397 211.7824181 252.6761055 264.8507761 269.9213087 424.2170593 228.3406476 228.7485988 290.2182797 160.3567346 275.5162475 138.6916332 146.5248188 232.9259235 259.0320891 416.1546408 344.5930933 No_result_found_in_bank_inhouse +M786T1077 M785.5051T17.95 785.5051462 785.4985607 785.508793 17.95445453 17.94304653 17.99642672 0 85 0 85 1207 37.87589295 29.90741019 0 1 1 0.451741156 0.217693401 1 592.3885394 267.6062836 0.451741156 534.07481 116.2645616 0.217693401 0.481898534 0.942298245 6.22E-12 253.6485123 969.345719 715.6972067 0.975939116 0.975977533 0.87036886 0.975955476 0.870403889 0.896173123 0.751481197 0.972147899 0.750930647 0.972068942 0.896173123 607.9271588 455.8271668 345.4265381 646.0594632 635.0897918 709.6228877 693.1924232 527.3808715 551.2690224 743.1477957 353.088261 815.8865416 467.5257496 704.5827996 639.3257593 945.0870947 485.3985586 298.0038893 629.1790016 579.5540811 378.4674448 700.9170525 565.0960147 669.3706924 699.259597 948.5736416 483.5392204 724.9261205 417.6240289 962.4548691 321.983393 1266.15504 592.8716275 545.7153302 1418.370022 321.0502108 258.978324 246.4295856 407.3432795 330.4046876 436.6661365 500.8974593 555.1471671 325.1529419 290.9385201 437.6883825 591.850724 459.1774154 455.8076405 929.8304706 545.5747053 503.0340427 515.6848639 497.8403898 815.1403926 448.6686169 503.1167982 1019.968801 539.1847552 1739.328649 572.2427602 323.4211578 378.0775432 469.345902 840.6531338 567.6992315 396.3245085 321.781302 418.0203309 887.0818433 654.4978876 571.3876992 1269.048852 552.1577642 547.5254651 541.4105895 384.9251232 524.5258447 567.3353316 452.566683 603.3706517 744.9059214 500.8780744 739.221999 511.663072 507.8735126 647.121502 417.7907389 278.5593138 565.6135165 407.8102159 483.9405043 550.0205599 481.1240213 224.064751 413.4569422 387.732704 596.9497412 653.9041693 1036.646604 493.7609996 465.0242474 301.2819612 530.8725068 557.5693826 509.9491649 1155.711328 573.8980459 1075.367071 501.8386636 353.5312636 747.3216112 565.4049858 537.123169 1405.189314 606.8853768 645.2089562 310.0042206 580.3777261 311.2592346 516.2262889 541.2431316 548.5516671 No_result_found_in_bank_inhouse +M792T910 M792.4854T15.17 792.4853721 792.4790716 792.4892621 15.16864512 15.15201353 15.18380885 0 209 0 209 [424][M]- [M-H+NaCOOH]- 725.509 [M-H-C2H4]- 821.524 7 Inf 47.1108281 0 0 1 0.20262429 0.16402234 1 717.3914335 145.36093 0.20262429 678.3562198 111.2655747 0.16402234 0.809490018 0.941928054 6.66E-12 411.2871761 886.5919329 475.3047568 0.546137033 0.548750551 0.924153787 0.545916669 0.926604696 0.970545484 0.906045885 0.641771252 0.906570823 0.649732819 0.970545484 701.9142676 757.9678479 771.0064997 748.2374687 853.1052201 739.6009397 676.5282577 697.0554272 998.3250664 475.3579098 697.9385125 528.6625728 723.8601122 660.579233 633.5425794 928.338365 617.1192554 449.1503886 774.1470557 867.5785969 598.2759193 858.9420679 727.8238546 706.6251016 702.6994066 608.4827264 696.5559761 774.9321947 574.6297556 320.4299437 736.4603836 776.1814281 596.5595162 825.9662298 636.7477304 724.3868278 831.4614113 522.6232519 666.5830125 763.1551097 767.9198447 776.2908751 715.2616306 595.2174704 864.4380409 576.5664994 626.5409234 1006.548484 1085.915345 506.4146561 1106.260853 581.0028613 631.2517574 680.1301083 514.1688005 764.7253877 601.8200216 811.2638975 666.5356014 899.7430408 649.0846625 778.0727507 803.4065838 599.9920144 911.6144807 489.2605616 914.686937 669.7235685 873.7487542 1002.622505 512.6957681 651.3450369 520.2541302 846.3798439 809.4783108 721.5427426 747.4523297 745.8820517 726.9580221 783.8885387 552.2919169 782.9057203 889.562489 798.6119905 1089.772934 746.5921387 1034.642199 548.7047698 590.819002 522.9025752 844.0244269 922.7603516 561.3743863 755.3930678 626.8385805 802.4120598 752.9483027 775.9626273 526.4728615 785.0221676 520.5471582 796.9160868 802.4120598 724.6832986 811.0485888 989.0727596 726.2535766 811.5861505 652.449622 820.4702568 583.015188 916.2572151 980.1187617 785.0743924 742.267997 796.1309478 632.1927459 846.7404669 575.5068883 725.4684376 843.4564098 846.5344769 749.1587797 No_result_found_in_bank_inhouse +M793T910 M793.4886T15.17 793.488613 793.4830123 793.4933315 15.16783172 15.14696522 15.18377471 0 148 0 148 [424][M+1]- 7 Inf 45.25608703 0 1 1 0.255587334 0.193335806 1 344.2816252 87.99402255 0.255587334 338.0698947 65.36101561 0.193335806 0.756437353 0.925841246 9.10E-11 187.3791247 527.7911002 340.4119756 0.818782594 0.81748175 0.87036886 0.8171566 0.870403889 0.896173123 0.91677177 0.610518283 0.917180308 0.60997047 0.896173123 332.4724358 201.7080481 295.7418324 291.1948789 346.1423132 231.2828076 234.8213604 284.2847495 412.962696 269.3315793 265.2570055 354.6099679 291.8251072 423.3540754 346.2262201 407.9888744 218.235667 433.59845 312.5753146 404.2420737 301.7248348 394.0702254 400.8336333 357.0965046 367.1329632 337.5369428 456.2755768 364.828802 483.956005 229.3809311 282.4986332 341.6542891 178.3456677 306.6809843 447.607889 393.8044371 595.0449986 328.6503893 366.2473189 276.5067971 287.9639985 395.2594257 312.6948655 275.366657 326.4225642 350.3033035 267.0401879 264.0354533 500.150029 264.9607295 261.1805926 270.6365313 356.2681109 414.879642 630.9186134 485.0931159 344.7030871 323.7797594 253.1217923 420.01904 393.516639 360.660218 296.7694269 505.7125631 415.7471298 461.5649066 364.4371518 258.6617875 279.1229741 396.2726281 276.0695934 305.3471341 488.8669773 360.8705635 346.5918996 215.1752084 323.8833351 326.2239994 294.7273618 358.7875277 237.8317526 189.5311062 429.6655696 286.6895157 512.9313279 323.7688975 456.620126 461.6236426 357.9716836 244.1044678 298.6761194 277.1382534 207.1036207 277.5537792 349.7462677 341.1023353 272.1282134 379.2481318 421.7612622 338.2126604 309.6057217 294.6911656 366.6362344 388.9839197 278.3095591 412.2534142 273.3805609 402.9486284 261.9920036 379.0032403 455.105826 293.8098835 653.9406098 473.1777706 438.9105811 365.8425343 480.042191 284.5360446 361.9848525 298.5240162 320.423282 427.008889 325.1246741 No_result_found_in_bank_inhouse +M795T48 M794.8645T0.81 794.8644793 794.8626081 794.8666202 0.805683333 0.7871 0.823266667 0 303 0 303 [425][M+4]2- 16 Inf 202.3822756 0 1 1 0.083568037 0.080077962 1 3364.328752 281.1503483 0.083568037 3377.296172 270.4469942 0.080077962 0.958236727 0.721053032 7.03E-05 2874.936563 4033.892162 1158.955598 0.597125038 0.597745201 0.828852751 0.599980347 0.829064412 0.95040284 0.944531655 0.465564211 0.946027179 0.46433343 0.95040284 3018.720959 3177.899389 3557.746599 4093.746208 3416.485735 3545.629294 3218.631048 3112.819772 3305.33111 3387.725069 3303.255982 3445.327257 3132.270229 3337.363035 4009.743707 3009.796067 3249.069196 3221.022525 3614.359658 4123.754874 3284.586197 3375.143932 3179.659768 3278.156974 3330.437277 3274.839705 3399.468389 3336.744598 2943.284644 3307.118827 3596.95341 3479.299758 3137.715386 3093.834792 3423.569083 3621.921858 3161.373918 3224.476089 3534.132337 3358.087134 3146.906645 3055.818801 3047.052025 3973.238115 3597.695661 3307.018773 3418.066695 3646.803956 3345.572396 3426.920387 3143.653364 3020.791049 2878.165121 3565.628034 3922.024161 3386.806629 3484.890087 3194.007134 3348.026749 3399.080573 3098.727578 3425.131484 2868.657418 3723.974347 3003.096663 3174.985886 3470.023657 3707.338073 3652.734677 3257.082386 2878.708668 3538.024938 3462.341127 3363.807329 3513.826862 3313.087228 3243.450166 3818.501754 3421.431462 3185.963637 3024.217709 3373.921755 3636.353923 3933.401294 3470.991327 3111.522619 3180.369461 3359.833835 3388.68072 3376.598531 3223.873667 3063.459716 3508.496766 3669.208992 3156.277897 3058.395325 4120.489834 3097.511562 3285.695231 3009.95083 3392.391695 3277.651964 2830.047091 3315.450006 3325.619637 3444.59691 2857.804893 3170.561364 3529.743639 3659.503147 3011.739185 3500.2155 3403.099446 3311.409324 3979.43752 3173.654237 3333.672968 3420.676604 3369.382378 2993.399672 3285.887291 3057.189156 3340.421184 No_result_found_in_bank_inhouse +M804T910_2 M804.4856T15.17_2 804.4855703 804.4798568 804.4904293 15.16666081 15.14860897 15.18518651 0 73 0 73 [M-H-CH4]- 821.524 7 14.67631442 18.05527477 6.42E-09 1 1 0.284707069 0.21463286 1 199.3053967 56.74365538 0.284707069 207.7737367 44.59507143 0.21463286 0.753872606 0.896418333 3.12E-09 121.3643658 324.7713286 203.4069628 0.932942955 0.930844105 0.760270093 0.931385742 0.752728909 0.986233118 0.448317409 0.70112841 0.454220128 0.701953625 0.986233118 172.184528 139.3897335 287.5439104 231.837816 226.5993743 210.4497769 180.1803231 162.1332325 140.9069691 100.5768692 184.2292526 126.9734108 210.6325943 102.4711328 246.9498268 131.859628 172.6339014 82.96335468 237.3566974 243.8031678 200.6671465 254.9810512 182.5583639 183.9297899 172.9562238 262.1542148 227.3088929 254.2104684 185.7256156 111.6940264 288.9957746 136.3360868 140.9706213 237.3605505 270.6917762 139.214523 182.6888788 203.0697011 213.3174015 159.3880979 171.2093183 238.6195932 227.2617718 265.903149 209.6092168 236.3892803 176.3287633 146.660306 134.8402336 171.5445176 321.391793 154.2395834 158.6230615 198.5404858 93.88972668 333.3756213 191.658247 183.6685457 337.2006213 253.3659802 282.684822 188.3429063 141.7100772 253.7253191 221.9494802 192.7008828 165.4673218 161.4454462 151.212239 179.1942067 145.0396449 94.5717398 219.666614 258.7136147 249.2806352 229.5309767 164.4454331 185.4194086 131.6764123 163.3677518 226.9214759 161.8067015 235.5838327 190.5065989 167.3626631 208.6423098 245.9823417 211.0629417 144.8106331 222.5528363 175.5233514 203.7922444 132.4906712 189.8428731 210.9804458 207.9720661 230.617479 222.6250071 253.4382995 159.8149923 176.7875297 319.443042 211.082966 313.0417249 216.831875 160.9022142 151.0205776 115.779881 244.0094545 205.9135377 125.7355551 243.3738865 205.890865 183.9083937 217.5613369 246.411331 158.5275909 235.4160138 147.5071472 188.0761834 125.6673036 269.9934125 143.5147642 No_result_found_in_bank_inhouse +M809T48_2 M808.9171T0.8_2 808.9170924 808.910324 808.9246099 0.8047 0.787083333 0.821656843 0 77 0 77 [M+Cl]- 773.958 16 Inf 65.78537322 0 1 1 0.276292779 0.205465864 1 335.2016137 92.61378535 0.276292779 296.1243132 60.84343772 0.205465864 0.743652673 0.785781211 5.36E-06 189.0074775 441.4919539 252.4844764 0.593149436 0.594866139 0.832824656 0.585401925 0.82588821 0.860152552 0.938387399 0.465564211 0.936510094 0.46433343 0.860152552 425.9935304 249.8992713 227.8614771 311.6072428 447.4526501 402.2062447 340.2775561 382.6447896 433.405331 324.3834608 402.6048852 341.3529028 292.8288988 267.8514415 238.1749893 329.9787706 472.4722188 415.959788 391.7547084 527.7969287 415.2485785 144.8220629 360.2237754 404.3250782 240.2711111 287.8359726 333.0710885 398.081545 277.9413958 184.9530004 366.0131577 139.2422082 237.7728143 435.1922304 454.8920832 216.4591077 281.077963 374.2506596 284.1071465 261.6822908 300.833664 324.6030709 299.837229 402.9490344 393.2498905 282.3001452 514.6122045 213.8825591 281.2779537 228.3040144 387.9323022 503.7167312 217.5730134 380.5957304 419.1212522 147.6896254 336.6803582 285.5952576 600.0324699 506.8643974 222.8193452 327.1798633 271.0498575 407.6313454 356.3881228 277.0992072 236.112002 222.4145651 222.2071628 304.0973526 193.7560868 291.3593919 288.9316161 331.7868006 276.7833233 380.0075179 367.1255489 323.527311 339.5204223 373.840315 534.75617 313.6726546 262.0700656 380.6613039 321.5805038 315.0971775 293.4087655 498.2638146 272.3374225 303.3443189 419.9968091 351.2776286 272.0092223 145.1236496 309.7225181 305.2621413 267.5403881 213.4231613 501.3934109 414.9431408 230.6139233 307.8278446 415.9325776 484.3547691 211.2455889 311.2359578 368.5274571 397.4744693 436.3828305 216.7212471 236.4537073 318.34595 527.35424 468.0687776 346.512158 344.4926808 304.8910356 277.8852206 270.5677922 520.0405259 267.9319153 246.7300149 429.2113349 No_result_found_in_bank_inhouse +M811T47 M810.9568T0.79 810.9567723 810.9528735 810.9605265 0.788886458 0.787083333 0.806166667 0 258 0 258 [437][M]- [M-2H+Na]- 789.993 [M-H-HCOOH]- 857.981 16 Inf 69.7806347 0 1 1 0.235094631 0.158358751 1 1596.146896 375.2455652 0.235094631 1459.692326 231.155053 0.158358751 0.673595778 0.942339171 6.17E-12 908.3152584 1998.631609 1090.316351 0.117272933 0.115066157 0.828852751 0.116228987 0.82588821 0.896173123 0.179882673 0.790153576 0.177477601 0.791374314 0.896173123 1473.403853 1757.633544 1486.216973 1450.089585 1832.42884 1510.393218 830.9935517 1772.182984 2074.770354 924.579587 1280.431121 1597.664428 1533.437415 2303.063415 1845.196935 1316.775376 1156.648738 1372.805591 1950.062484 1258.840276 1075.123549 1394.107027 2040.853071 1226.154282 1912.304513 1680.150809 1376.145861 725.5074063 2393.513598 1779.520053 1740.85964 2070.619898 1470.579724 1341.720467 1027.985362 2066.800888 1320.379238 1688.15408 1019.752489 1393.111043 1753.234992 2323.050399 2372.994009 1703.731521 1730.171855 1069.616238 2084.61613 2047.507416 2099.772939 1165.635032 1345.762124 1473.444474 1745.701466 1744.010814 2123.720348 1347.93753 1552.500726 2058.65376 1087.83979 1987.97006 1147.863194 1661.652127 1865.724709 1717.849701 2205.590134 1793.556175 1550.982292 1318.122311 1161.306713 1916.846369 1318.435984 1555.962526 1985.75824 1505.178713 1636.655974 1308.882155 1199.716007 1587.26567 1574.706404 2003.347313 1968.320836 1867.601194 1704.515585 1578.337096 1048.739183 1416.531852 897.2630476 1424.019995 1316.550298 1386.144306 1559.172661 2087.235911 1554.944189 1336.86105 1283.645281 1221.209849 951.505373 1511.629514 1285.583585 1233.033389 1315.364487 1144.933901 1474.233035 1178.523577 1309.367725 1538.119952 2082.899163 2281.007278 1662.689427 1224.852399 1695.407016 1665.326343 1363.589786 1018.057462 1889.515376 1945.585605 1487.457595 1194.510137 866.179845 1413.204267 1455.169754 1268.933221 1246.446435 No_result_found_in_bank_inhouse +M812T48 M811.9599T0.79 811.9599432 811.956114 811.9658224 0.791690972 0.781352637 0.8062 0 103 0 103 [437][M+1]- 16 Inf 60.19213691 0 1 1 0.272131841 0.218903171 1 345.3451877 93.97942157 0.272131841 301.642567 66.0305143 0.218903171 0.804401169 0.901770387 1.79E-09 131.8764534 497.9530851 366.0766317 0.633583193 0.625438614 0.715391897 0.629966905 0.695696123 0.970545484 0.176994367 0.825522489 0.176569102 0.826905887 0.970545484 470.9558203 363.9750702 293.8597857 329.150182 561.9635921 366.2256793 329.8572267 385.3531871 316.2727618 207.134428 290.0014946 289.3929707 310.9785451 319.1071667 278.4047781 206.0915109 326.8114027 283.6005897 399.0607895 291.7762565 243.0838622 281.9693954 634.2793478 317.9273454 477.356642 647.9378432 334.9694465 234.5585148 478.5061136 328.4928796 320.0871087 451.9647033 364.104459 379.7805662 307.685248 328.4274131 396.251058 327.1809853 301.604062 345.6167343 408.9447254 400.2251412 491.2336531 331.7144236 293.9121012 281.856632 544.1870557 279.8606479 346.4644268 338.7683617 254.0075989 341.2448441 511.3593261 418.2573316 281.2142905 310.2988674 304.6914583 276.7937715 255.5447041 396.2440304 250.9867426 306.6204271 324.6245571 512.8833439 374.3444334 348.7335153 234.2752081 383.3130882 279.901345 464.2913476 311.1418531 444.652882 509.9844592 335.5342829 281.736952 257.6205099 335.4123102 389.0222268 343.737042 353.7836723 364.5192191 433.9883633 437.1935989 383.8778511 163.8437731 256.3806437 273.1425903 296.2933265 297.6299288 352.3061791 272.3374069 333.689405 382.5197271 278.8169415 213.8770242 191.6402474 239.9783597 370.1798312 230.2018404 299.6319818 304.6674441 264.2796974 316.8269543 308.4107556 393.4648662 227.802384 418.8474956 308.110348 334.1498023 253.3693151 426.7112476 335.8089632 491.3424734 230.7995799 339.495231 459.3975261 327.2349764 164.4576299 142.6175482 325.448242 238.9816531 319.4766426 225.3050579 No_result_found_in_bank_inhouse +M819T933 M818.501T15.55 818.5009759 818.4966848 818.5059007 15.54896636 15.53540879 15.56242325 0 75 0 75 30 Inf 32.62321939 0 1 1 0.45456504 0.178072428 1 716.6627681 325.7698396 0.45456504 666.1034252 118.6146545 0.178072428 0.391742464 0.94564192 3.28E-12 383.8481713 1019.951883 636.1037112 0.053502552 0.051431257 0.787240672 0.051788987 0.793198186 0.94309074 0.072970069 0.699823706 0.070626021 0.701953625 0.94309074 509.3053806 753.2188227 931.8561077 591.4301847 970.8963247 636.4040744 774.2597531 1196.702414 373.8990518 346.8259186 519.9428631 233.7587156 281.7567659 255.299444 496.1438013 1005.846107 326.6697643 683.6610254 1107.639087 1032.207075 1036.051983 1202.810057 962.5198886 385.05669 820.8782392 519.3427446 568.2071656 957.9117359 416.4524344 403.976939 644.4074293 1080.153059 277.19962 614.7880963 717.9341373 566.7605682 457.2899353 891.1323746 1011.277639 1055.768949 618.8085138 595.2806932 469.5364409 313.5410135 557.4225312 1324.55421 1057.759189 500.2152937 1128.731333 519.814298 769.2027644 485.5628481 513.9115586 822.4543146 291.6058766 612.857142 397.0742885 614.0298746 781.0088986 745.0365918 706.5432827 787.9466009 970.1047518 630.4583496 1217.307193 682.4021704 661.1977923 595.8347695 866.9096563 750.6621711 448.7912618 468.9792833 675.2525235 629.7660218 434.8038853 433.4396619 972.6750131 1086.343154 1031.316264 355.301606 643.0257547 623.8890675 963.0658581 627.248131 693.9707112 493.2051671 1313.19128 458.7841139 601.5549275 300.724959 548.7170417 999.6523934 291.7507159 658.5043134 696.624588 1108.829629 868.4450575 595.3689201 451.9420953 619.1829281 439.5350767 1270.180937 655.6948281 237.624023 414.0490069 1432.440056 775.3626152 789.5213144 691.3873566 456.1326464 795.6765685 1050.930275 731.9410264 717.6341398 938.1974277 413.4309273 336.9137403 842.4508746 409.2188646 481.3411972 917.1294667 1727.930281 1042.538503 No_result_found_in_bank_inhouse +M821T910 M820.5168T15.17 820.5168355 820.5142884 820.5199887 15.16794 15.14865475 15.1805741 0 116 0 116 [439][M]- [M-H]- 821.524 7 Inf 71.60869453 0 1 1 0.14930251 0.097259964 1 1610.053683 240.3850569 0.14930251 1606.768642 156.2742601 0.097259964 0.651428858 0.974900868 7.64E-16 1151.906991 1991.969211 840.0622198 0.357329178 0.360560463 0.917465563 0.365438432 0.917754402 0.94309074 0.779898447 0.57865504 0.780250457 0.579029529 0.94309074 1548.506753 1793.43324 1681.433448 1804.144893 1600.678966 1256.083121 1512.031091 1859.350647 1303.181379 1357.950033 1712.754609 1840.796363 1349.026816 1366.84843 1201.585229 1727.926285 1408.397318 1194.827392 1932.995762 1957.853994 1458.033782 1856.322421 1832.646428 1654.937194 1901.336012 1461.880827 1825.572553 1751.859938 1810.129735 1247.00444 1390.374105 1785.283098 1202.250751 1528.360408 1519.209092 1311.576772 1652.78828 1505.729608 1625.690006 1683.162612 1562.881214 1895.076942 1925.025845 1590.771183 1822.643454 1717.113644 1459.848523 1739.841928 2130.966961 1473.250225 1747.526444 1410.305501 1384.521736 1994.075753 1284.518028 1658.0246 1385.076545 1936.911446 1357.667484 1615.46106 1330.058074 1874.335719 1688.31125 1531.600216 2074.530867 1995.801237 1785.924095 1225.895639 1696.626217 1822.016562 1200.706448 1503.798382 1614.280877 1570.658193 1861.969625 1612.550643 1617.758881 1604.633565 1341.981478 1631.159403 1649.772987 1233.584634 1699.237499 1777.182843 1726.797344 1671.674594 1803.350471 1911.436928 1335.171136 1451.829216 1443.829046 1955.239197 1119.907874 1437.888273 1764.351452 1448.458159 1519.401536 1695.489611 1601.384572 1402.128558 1602.459176 1872.595594 1667.773791 1942.389488 1525.016359 2245.263421 1451.09779 1778.607707 1363.812049 1736.896163 1380.825226 1871.49007 1513.248851 1886.788194 1532.976186 1647.096054 1567.92158 1722.420502 1323.709756 1534.922948 1632.306432 1954.584141 1721.595802 No_result_found_in_bank_inhouse +M822T910 M821.5204T15.17 821.520445 821.517074 821.5235774 15.1668704 15.14555107 15.18280366 0 162 0 162 [439][M+1]- 7 Inf 69.3891775 0 1 1 0.177960997 0.117412415 1 824.385035 146.7083828 0.177960997 814.8507685 95.67359628 0.117412415 0.659764873 0.969734364 5.85E-15 613.7632118 1083.215871 469.452659 0.106716045 0.109944162 0.924153787 0.107009436 0.924071385 0.855709492 0.448077924 0.560203897 0.440657879 0.559144944 0.855709492 665.8368535 534.265897 1013.044488 930.6570558 955.6081957 791.7556454 927.7685661 945.7710275 791.580378 779.7413164 674.9645349 862.4624044 821.4235516 402.5351648 703.6332805 758.5625541 536.0496223 732.6392328 1116.703649 930.6186157 675.9821656 801.5010958 937.2580281 765.7470287 928.8304774 1034.207021 754.3374687 1029.320175 959.6764686 786.4204698 937.1134534 1003.70536 651.1770148 824.823257 973.3896999 835.0498381 720.1628735 610.5343643 861.3427189 833.5373104 850.2982126 904.1052824 895.3586119 958.8554762 1020.618379 833.9033547 781.013017 788.9513724 954.3319333 551.9555803 730.9466356 831.8452879 734.76791 1081.049695 684.480763 1007.18559 546.7302293 978.9662241 763.8461184 959.1264921 762.714906 1032.114816 924.1594886 753.4050453 909.7096445 860.8005507 1052.868676 757.7582641 700.8720622 778.7935921 708.8179783 707.3843152 825.0860784 895.8188176 785.1230958 810.3676023 904.5353625 1215.647505 971.1387268 923.8775387 704.0081817 1005.097721 805.5117101 1033.695823 830.8669807 882.8999543 830.6039234 965.7555854 651.2501775 709.4925679 629.6027117 1017.970799 588.249671 652.6765544 742.0995311 761.2499407 889.3637332 860.3634184 425.7222479 813.5696599 610.9351616 907.5232946 859.6128621 928.5978682 767.9271285 902.7775148 823.448319 817.9476216 1075.865213 882.4990097 870.3974604 922.4887681 675.9257855 793.2878649 742.8140622 841.329366 585.9651946 690.7759776 1055.034968 979.697248 884.6781738 861.6253947 733.6698842 No_result_found_in_bank_inhouse +M823T910 M822.5208T15.17 822.5208236 822.5160839 822.5274322 15.16658258 15.1486717 15.17969589 0 109 0 109 [439][M+2]- 7 Inf 62.85753165 0 1 1 0.230442692 0.210364762 1 317.6748445 73.20584624 0.230442692 312.7140011 65.78400635 0.210364762 0.912872351 0.870986615 3.09E-08 187.9423488 430.064007 242.1216582 0.658739502 0.658314933 0.828852751 0.660952665 0.82588821 0.897437208 0.549782369 0.949139883 0.553480231 0.949936104 0.897437208 304.4002269 259.6793534 327.4756623 345.9424051 526.2941546 211.6320663 300.7864462 300.4551836 279.6569197 311.5007476 241.6537096 316.9296088 260.320677 268.6144729 376.9953922 316.1620003 312.616974 313.2159164 274.6502035 373.87731 317.5843434 293.3679517 361.0651069 319.8561453 337.8055336 295.9567023 343.1223791 405.1175894 318.6499455 194.2466197 305.0893155 385.8995376 222.6380909 223.7413214 378.154475 212.7766237 336.0374321 318.1479467 317.4065719 390.5777244 212.9250748 404.9035861 409.2410397 334.935304 286.2218239 419.7613467 323.5879805 239.3733546 307.4425148 287.3970352 263.5068732 330.5720845 289.0579848 408.3479174 212.5979014 337.7894683 172.2116406 324.5338585 326.3406671 371.600658 399.6783441 462.0511789 348.9371463 252.4956586 333.3753777 237.8238302 307.6477074 256.1368749 351.2739492 290.3278157 189.7827201 273.9892895 460.0104407 254.3642855 219.1636149 318.0122209 274.3247528 306.2647728 345.3936914 276.5843899 240.4442537 318.9102514 311.9791898 299.0071019 297.100458 195.3994987 396.9550395 525.0049377 202.8602528 330.4350221 397.2047883 380.8346166 342.1650861 413.5727147 307.2192351 291.6754867 357.8432743 308.2587344 212.2345495 307.6042034 333.20397 262.7048338 197.3339889 308.4897179 284.0050377 281.9225206 314.5661528 328.7795308 329.299959 306.4976961 379.9062429 351.875628 412.2844367 517.9648683 264.2659161 278.5451705 288.8983495 289.6764842 245.5396711 210.7288655 316.3556734 343.0543203 377.847246 No_result_found_in_bank_inhouse +M825T48 M824.9724T0.79 824.9723937 824.9701935 824.9749069 0.791690972 0.787083333 0.80615 0 289 0 289 [444][M]- [M+Cl]- 789.993 16 Inf 87.38552494 0 1 1 0.166559899 0.126060024 1 3650.226661 607.9813838 0.166559899 3344.942794 421.6635701 0.126060024 0.756844986 0.936630805 1.70E-11 2539.284012 4253.696152 1714.41214 0.091849075 0.091593012 0.81438186 0.088925535 0.810685871 0.858832892 0.166610233 0.634369991 0.160586439 0.630656714 0.858832892 3027.950533 4038.928989 3467.035893 3564.582877 4014.736932 3266.193285 4077.10564 4023.004734 3748.596933 3948.340871 3536.777487 4146.05986 3594.481257 3546.209408 3382.286065 3849.10309 3898.791064 3265.958402 3962.339756 2890.688965 2927.181334 3348.671104 3544.128966 3328.419533 2971.423771 3249.843198 4200.3704 4085.79478 3993.955769 2924.556014 3024.638857 3129.885568 3211.004732 4361.594514 3101.523088 3671.36244 3554.274422 3496.572741 3372.27538 3671.343515 3120.396363 3771.06345 3820.49154 4311.201076 3494.402128 2365.688331 3919.498119 3223.08672 3716.283081 2753.70556 3625.258277 3931.174789 3469.850958 6152.178552 4542.146168 3225.850673 3888.911577 3594.571132 3080.216781 3750.107716 2935.279219 4390.911406 3138.432153 3380.550977 3445.42669 3536.059392 2102.724017 3371.098645 2649.880538 4258.259954 3479.793518 3507.43087 4022.045111 3567.030051 3348.763789 3421.739218 3516.503671 3684.434281 4331.146626 4693.922524 3895.563682 3872.836064 3975.845754 3928.725661 3174.055167 3470.911236 4001.796253 4270.596681 4321.95865 4927.876865 4350.965279 3898.900945 4237.909244 2929.68283 5258.092194 3082.26519 2863.720888 2976.793612 4522.707792 4271.513688 3164.040639 2605.531744 4405.108291 4130.446258 2606.663504 3629.816257 4479.453515 3673.616158 3508.792152 3142.614274 4054.795786 3635.095142 3747.817243 3202.771941 3149.909832 4847.4008 2948.861092 3019.834499 3384.579316 4114.757512 3857.417895 3681.923243 3466.704913 No_result_found_in_bank_inhouse +M826T48 M825.9755T0.8 825.9754545 825.9705495 825.9795866 0.796058624 0.787083333 0.806543561 0 252 0 252 [444][M+1]- 16 Inf 76.26173084 0 1 0 0.207728655 0.178148636 1 746.4637861 155.0619183 0.207728655 691.0286244 123.1058069 0.178148636 0.857602607 0.939589914 1.02E-11 490.0244803 1087.931953 597.9074727 0.447293743 0.440967132 0.79145929 0.44635688 0.799360927 0.926511606 0.322230751 0.972147899 0.319403577 0.972068942 0.926511606 1056.277555 739.0546553 818.8717385 572.0383486 536.1576876 744.3195635 662.6007255 853.7355501 590.0675099 668.481797 685.144833 676.3232257 970.3768021 770.4203701 745.9159054 942.9318016 762.5223752 654.7592967 985.3233243 637.1364256 730.6498662 701.3676835 854.8561897 473.182304 657.8830447 959.2528448 847.8544786 732.2510162 854.7157287 688.0853687 669.1253395 646.917868 778.2617988 878.9544319 694.7178581 529.2964375 637.1160822 808.6473351 582.852036 785.5347118 664.5610826 617.5125104 763.9424539 842.9535856 777.3932341 445.0010789 867.1744196 744.9357268 786.1032275 598.8741804 711.0632667 987.5975354 584.9005799 836.0923355 948.8128731 549.3721336 666.5214398 755.7176913 759.6384057 742.9753697 622.4134033 909.3181482 707.6889405 764.5392986 798.8455492 670.4421542 419.0730812 725.2761831 586.1467956 988.9950663 595.3944834 649.8584038 812.5680494 628.4051187 933.5725039 831.3448353 687.3140984 1074.617205 771.4005487 992.9209096 635.155725 511.6532229 874.3293827 962.5353734 747.4805412 713.570012 913.526444 792.9644776 918.4273369 952.7766723 1256.629469 776.3014417 660.5988001 691.0259045 903.7246581 692.9963367 452.9759973 806.6869779 876.2796576 745.9159054 649.7311235 440.0612314 824.1547388 797.5345902 580.2806512 560.6621523 942.613721 1022.326267 583.2062598 753.7065144 724.3519765 610.8900394 622.4134033 632.2151892 597.9089386 905.4199871 618.492689 670.4421542 572.1495612 1120.408931 773.3609059 869.4184075 632.2151892 No_result_found_in_bank_inhouse +M827T48_4 M827.3562T0.81_4 827.3562146 827.354231 827.3582477 0.805802273 0.7871 0.823266667 0 162 0 162 [M-H]- 828.363 16 Inf 166.3020607 0 1 1 0.096540274 0.069837662 1 5893.908701 568.9995602 0.096540274 5984.059767 417.9127459 0.069837662 0.723404436 0.73777514 3.88E-05 5209.196183 6717.273314 1508.077131 0.575360111 0.567411373 0.748298881 0.568045662 0.735276384 0.896173123 0.581407636 0.353366992 0.583627868 0.35083649 0.896173123 6012.276242 5975.958861 5916.734624 5769.793724 5430.078882 5977.519227 6088.418394 5732.264863 5773.203955 5353.921373 6425.091485 5526.93275 6261.757493 5844.688388 6646.443657 5827.541425 5007.08905 6601.775758 4798.497804 4988.140648 6005.504705 6101.139417 4932.18613 5549.786772 5764.230428 6903.894465 6732.753754 4893.210996 5846.190109 5984.234171 5317.505438 6843.691614 6179.300948 5520.049241 5845.539667 5463.874509 6592.616385 5617.627824 6405.921901 5361.541505 6103.514013 5002.910235 6234.923231 5592.004303 5493.270942 6013.06313 6241.280117 6314.292135 6699.975419 5739.232579 6776.456715 5098.570147 5555.675074 5593.435889 6381.559253 6090.027899 5555.793548 7193.261979 5442.50743 5916.727496 5256.802292 6103.728438 6253.055753 6562.398796 6750.969035 5170.728938 6259.125659 5357.204894 5308.364013 6145.222326 5695.719507 5645.868767 5550.98004 6351.808421 5472.490756 5297.817074 6746.190358 6985.261284 6194.390735 5754.228437 4237.358273 5975.050937 7084.370891 6298.480152 5028.147486 5693.934359 6567.273499 5453.47415 5789.514277 6401.656577 5758.071711 5309.792056 5168.312011 5638.7062 5635.387134 5997.974264 6322.504426 5768.650428 5006.263149 6048.307618 5284.913696 5200.161685 5649.952395 5149.992673 5716.291162 5423.224006 6141.734113 6385.233926 6699.0277 5707.113357 6765.516385 5611.325021 5530.626107 5947.477474 5732.579202 5881.02979 5495.199901 5895.498346 5348.336158 5336.163354 5739.390849 6274.351753 5406.63341 No_result_found_in_bank_inhouse +M828T48_1 M827.8571T0.81_1 827.8570703 827.8541966 827.8595264 0.805847917 0.7871 0.823266667 0 173 0 173 [M-H]- 828.862 16 Inf 155.5116964 0 1 1 0.111589615 0.08730943 1 2980.545553 332.5979311 0.111589615 2977.111267 259.929887 0.08730943 0.782415368 0.716431963 8.22E-05 2438.219867 3578.051545 1139.831678 0.665709211 0.668880326 0.907981747 0.668764555 0.905542086 0.896173123 0.954973042 0.599710446 0.954931558 0.601118346 0.896173123 2772.684686 2983.763759 3442.874263 3176.07833 3145.811074 2553.271692 3078.67261 2622.558204 3171.055387 2844.964513 2908.677893 3007.115173 2983.678091 3199.367582 3025.552114 2829.866274 2549.247299 2827.009212 3293.519887 3295.910827 2421.889327 3000.933661 2576.687919 3174.121131 3373.434208 3331.997988 3023.203673 3113.226831 2722.094958 2768.911015 2856.205023 3164.77591 3209.33348 2973.801745 3555.20639 3224.067805 2809.089961 2571.081771 3113.054058 3141.027423 2820.662314 2455.614416 2909.641846 2628.579405 3473.694712 3326.658324 3204.570049 3302.53252 3115.592436 3286.005591 3508.263185 2917.693856 3044.703078 2631.375181 3235.733037 2887.656153 3068.110071 3176.545493 3485.575603 2926.538151 2643.201091 3577.206415 2646.806966 3430.941472 3066.228397 2612.120185 3037.677747 3364.64576 2925.335052 2671.443811 3095.984925 3019.945368 2707.61113 3293.973645 2610.55273 2800.653606 2642.120265 3481.775508 2736.297097 2712.066895 2169.114463 3323.848645 3540.52237 2801.895541 3174.41645 2434.996515 3468.336131 2925.159158 2900.150582 2804.696517 2709.108338 2476.683284 3419.091146 2935.938867 2895.141677 3746.668249 3691.598024 3141.444997 2667.827511 3251.141639 2638.480785 3491.334999 3648.018001 2690.899563 2933.161755 2964.083527 2359.535186 2860.075597 3389.348052 3535.021606 3182.122491 3100.630365 2443.200524 3093.882178 2887.529872 3079.208373 2734.772029 2643.610812 2923.802684 3610.885436 2352.080274 2853.505256 2754.74755 No_result_found_in_bank_inhouse +M835T910 M834.5327T15.17 834.5327219 834.5287072 834.5361251 15.16721301 15.15039854 15.17970849 0 173 0 173 [449][M]- [M+Cl+NaCOOH]- 731.586 [M-H+NaCOOH]- 767.564 7 Inf 77.1484325 0 1 1 0.160605002 0.115681557 1 1103.157017 177.1725352 0.160605002 1091.007531 126.2094497 0.115681557 0.720286138 0.96647961 1.77E-14 813.3818974 1339.959096 526.5771984 0.274100497 0.276032126 0.828852751 0.280209633 0.82588821 0.915966112 0.455957801 0.613010568 0.457006051 0.617404813 0.915966112 767.646832 916.9598185 1183.092775 1306.955152 1156.464508 670.497754 798.639282 1381.170481 923.7197127 947.6769303 971.5089087 1192.324232 1264.863325 969.4395454 812.6717919 1104.431186 954.5839283 814.7935219 937.2068563 1382.599187 1034.218631 1249.385451 1333.99813 1064.71183 1241.866013 1133.031192 1253.955358 1080.753431 1056.008848 949.880999 1112.815858 1045.741313 1023.613573 919.1274563 951.1119384 1087.957819 1251.363074 1168.916275 1276.439256 1019.465904 1203.25529 1228.404107 1282.391741 1083.576698 1073.682098 1112.337322 1389.161026 1125.593757 1359.113288 1057.265612 997.1825847 1196.702224 1092.754248 1345.837223 1148.435997 1156.324962 997.8819302 1129.782591 952.3984684 1188.066172 954.3977096 1266.863972 1562.859063 1102.075742 1072.155126 1282.829314 1131.755269 1175.565083 1243.420523 1049.519069 915.0167464 1064.37912 1114.686995 1261.025 1029.958786 1041.21959 1501.097045 1430.900482 978.2053964 931.3721154 1278.645671 1222.008707 1025.791763 858.2574681 1325.048271 1300.924368 1324.57133 1177.237052 1129.369881 859.9854459 885.1750276 1026.389531 838.9356764 1119.638246 1090.516086 859.8858705 1068.959103 1058.260201 860.3443082 1056.016022 858.2843561 931.2277988 1281.024503 947.0964542 1104.110593 1339.651887 1168.718843 1294.640372 1099.246887 959.950078 995.9541917 1451.591125 1050.511123 1225.599147 1008.928776 958.224959 928.8472361 879.6528436 983.3353223 929.8572302 1035.388303 1334.918606 1239.968317 No_result_found_in_bank_inhouse +M836T910 M835.5359T15.17 835.535944 835.5303569 835.5409253 15.16707384 15.14865475 15.18652266 0 200 0 200 [449][M+1]- 7 Inf 68.24575985 0 1 1 0.205084825 0.141586526 1 557.3487415 114.3037692 0.205084825 561.5162979 79.503142 0.141586526 0.690380315 0.912699242 5.14E-10 429.5154429 790.9903688 361.4749259 0.081908379 0.084071638 0.964930139 0.08399813 0.964863118 0.895228214 0.740300677 0.220503221 0.738219608 0.216103275 0.895228214 649.8049675 462.1478627 697.0586851 571.100243 414.3038076 483.1751451 462.9776281 676.6285492 543.429397 414.961281 511.2637722 566.2951582 658.9784582 443.9454414 402.3208373 597.7414734 398.5712719 486.4269693 672.0423715 838.1661257 460.9658651 605.938005 584.8171438 558.471335 491.0193623 667.6279248 571.3167952 641.5901025 845.9441394 521.996024 496.6481053 711.5363131 353.9297722 816.618539 704.8990848 474.9466191 576.4934413 595.4865468 621.3644054 556.3235763 479.9244523 646.5485778 519.2568617 457.0321515 626.8033336 448.4798918 498.8856372 568.9829161 641.4130789 358.3375756 692.3491443 543.5359127 534.0473417 701.69529 506.0639111 446.1444393 416.5038584 650.823137 472.2655473 504.4510611 497.8220413 658.3369873 809.5909451 494.7807703 620.5398524 461.8120591 472.9566261 426.4129956 590.894021 719.4208993 389.2837475 871.6471832 682.1274967 525.2488493 515.1763056 528.0067528 556.9055037 606.5346921 652.9736939 488.580728 644.6648265 569.1619245 595.4235332 640.2138596 715.167263 682.6639126 732.9609184 719.3273739 438.932954 382.2680433 576.3959122 635.3500259 294.6341414 647.0206374 556.9913009 680.3748622 523.575424 543.3757155 444.8188447 412.9644518 519.1325916 648.5675388 436.2994527 458.7174954 661.772465 629.9930909 398.7202264 631.9216915 552.5677534 608.3267907 595.1800064 785.6959645 399.1346673 565.4614823 586.3003169 679.4873119 449.5805246 376.6601832 454.8618709 668.6654525 607.1461644 606.2969142 457.9549774 No_result_found_in_bank_inhouse +M836T48_2 M835.9029T0.8_2 835.9029444 835.8954721 835.9096776 0.8048 0.7871 0.8062 0 85 0 85 [451][M]- 16 Inf 58.14161985 0 1 1 0.294610514 0.204777346 1 415.4964911 122.4096347 0.294610514 359.7009148 73.65859882 0.204777346 0.695078203 0.832427816 4.54E-07 216.0314343 582.0722559 366.0408216 0.513743734 0.519567853 0.924153787 0.516848503 0.924071385 0.877941452 0.773844447 0.772653377 0.772707488 0.769177998 0.877941452 313.6242453 452.6347237 325.3953526 503.7078953 390.0461258 343.7319647 248.8474972 377.5906549 556.5380243 299.630062 208.1196071 440.2357175 557.3525742 652.3578698 402.6158072 170.1390659 492.1691355 735.0555993 594.0491329 254.1478479 322.2023188 346.4962949 613.5740427 328.5586997 635.1095911 517.0019643 380.5833557 322.0737413 492.2369737 310.8338616 471.1425815 463.730853 336.2061099 377.4706685 320.1581739 561.0805625 273.2189943 545.960045 345.6078158 395.5318735 335.9485597 465.6850167 617.5841593 322.4716784 377.7029165 212.1965342 409.6016819 361.9987775 533.8783361 385.6152796 272.2581863 601.505698 475.8798367 468.3603676 525.1367505 377.6202905 588.143245 838.0291524 339.9697884 409.8808021 235.099324 408.243989 343.5738766 560.5310749 478.9254679 560.4479316 322.8568167 438.5654286 492.3739916 582.1948028 338.8688714 237.6872967 408.2665563 564.917592 381.3228477 520.2084403 205.4893676 333.1190164 428.5666243 602.9682729 454.5770494 448.4052362 447.7504605 323.5546095 471.1932979 195.9658813 355.6029813 371.915231 346.1043764 484.7009209 360.6889979 388.7165264 403.6384779 464.9103514 335.0044768 250.79555 317.1748846 300.6448766 308.0710003 236.8961553 482.3292116 300.2409411 399.1945142 276.7261641 538.4818548 499.7517554 614.1485173 507.2259348 360.4328315 347.1271108 352.8082637 459.0001744 289.371591 406.7736233 565.7670608 427.5763332 521.4486261 314.1101036 356.3264967 457.4723434 387.4330162 269.2055968 450.4744027 No_result_found_in_bank_inhouse +M837T910 M836.5375T15.17 836.5375169 836.5328005 836.5455874 15.16559612 15.14763224 15.1857097 0 80 0 80 [449][M+2]- 7 Inf 60.23231908 0 1 1 0.261639526 0.20087365 1 223.651419 58.51605116 0.261639526 228.5834694 45.91639578 0.20087365 0.767749633 0.906974588 1.01E-09 156.228957 322.8722342 166.6432772 0.166741345 0.165317248 0.828852751 0.167071742 0.82588821 0.897437208 0.463926353 0.456145814 0.469055867 0.461127751 0.897437208 176.7249695 235.980497 297.3660731 227.0292271 165.0334145 178.7718812 201.2445937 159.6082357 239.4680706 213.2660046 170.2273404 182.314033 222.164119 146.0089898 139.4448594 223.0712172 131.4425055 191.3115765 242.2316338 257.4250412 222.8499192 300.0339388 305.8979223 286.4851321 174.5166901 222.659624 337.3105984 264.5403541 152.9744678 192.3506016 262.935081 233.7815909 197.7056699 223.9932184 173.8123066 164.8815977 176.2058883 204.2848101 228.7888416 203.8951072 156.7085421 188.2770213 160.0705709 236.2428825 152.2475181 195.8763102 175.8774911 261.8276509 268.3210623 149.2756972 136.29926 200.8236092 208.9468504 181.0662988 238.4505741 263.1770635 121.1896427 234.8919632 153.7437805 440.4832989 322.3387723 286.9594207 255.5466955 145.5459759 327.5850071 212.1337006 232.5618671 228.6047886 290.3069628 221.972457 122.4891923 176.3647893 175.3602166 235.4098941 290.7245651 135.2426697 294.6733945 198.4023526 301.7800221 165.0615383 179.5007597 263.8405055 328.6071779 175.7497039 307.9914644 226.7045246 390.725278 194.9727624 240.9861827 177.6099936 162.0794405 181.0760426 155.0442835 361.2052523 269.992965 191.383841 186.4797842 180.0982095 214.4267413 190.238357 217.9468237 256.2693813 249.138572 284.7981835 227.4408553 201.1006501 204.0556262 286.5326097 241.4202515 219.8996991 237.4681105 227.8868555 300.3348396 226.6028361 231.7298018 239.8327215 186.2914557 199.5454344 171.8364605 234.6625177 229.0844182 251.0827978 214.7557382 No_result_found_in_bank_inhouse +M841T48 M840.9464T0.8 840.9464447 840.9423373 840.9518893 0.80455 0.787083333 0.806543561 0 227 0 227 [M-H+NaCOOH]- 773.958 [M-H-CH4]- 857.981 16 Inf 69.61814104 0 1 1 0.240907563 0.180913442 1 564.704066 136.0414804 0.240907563 497.6860536 90.03809685 0.180913442 0.750966219 0.885974159 8.54E-09 332.2142155 739.511251 407.2970355 0.964270498 0.964678143 0.917465563 0.963828739 0.916454701 0.507044165 0.906045885 0.902843964 0.904148879 0.905553463 0.507044165 642.7728058 604.5311877 513.4753541 364.3172223 588.8290058 737.081522 655.9235775 781.242722 467.2306751 688.3701252 457.5473698 674.8268527 791.7980004 584.1404088 518.5344391 583.2250122 617.3388617 484.9900902 551.6926882 406.6588727 374.6712699 398.4505737 521.2574109 491.3690115 492.6164532 476.7304958 530.7063005 619.5940545 562.3492132 539.7866023 629.1297386 535.2495857 601.9466197 487.6872517 518.9066862 546.2946535 549.5332348 597.729291 430.8041281 404.7661462 393.6363154 494.7819429 590.8729798 845.8523453 611.4525717 447.9901593 667.2762611 336.1093308 623.2093517 329.5339221 361.0316502 854.408449 370.8484249 803.0267162 585.5127589 348.5288117 560.4527222 511.4414473 440.4378392 510.9557736 500.6529226 675.0550661 628.8019888 584.0119048 419.7288204 530.8217894 306.494047 492.8705437 483.1463185 799.0360429 517.0059189 448.0419936 711.0672502 543.2185627 907.0340758 787.9281731 624.1686518 486.8019301 810.33036 701.253704 600.0503935 435.710318 525.182918 624.9212382 660.8385136 754.272439 670.3503026 507.4191386 825.0117799 731.9042639 579.4851061 465.8972578 458.0393728 433.0078791 754.5818295 476.8708283 392.1759157 597.3898107 563.9017993 514.0550511 497.9191935 504.4727774 870.4266656 707.8824112 322.537983 553.770897 581.2096637 512.7987423 444.1198905 493.0110007 576.5952179 471.9321409 474.3137533 425.9846925 641.551471 549.8914772 489.7320541 375.0197646 458.4841867 1079.963127 547.3054466 532.8789319 562.792792 No_result_found_in_bank_inhouse +M843T48_1 M842.9109T0.8_1 842.9108655 842.9064272 842.9143186 0.8046 0.787083333 0.823266667 0 166 0 166 [454][M]2- 16 Inf 68.20872475 0 1 1 0.244531022 0.170007844 1 832.6615288 203.6115744 0.244531022 771.2322075 131.1155249 0.170007844 0.695240395 0.961416882 8.13E-14 517.7776865 1049.962452 532.1847653 0.629711573 0.625438614 0.797864997 0.628508906 0.799360927 0.896173123 0.415014932 0.896777633 0.417402015 0.894829144 0.896173123 773.8899576 796.1527201 1044.733513 563.5382469 765.9390508 732.750987 1153.61123 689.7835938 764.4423657 814.5677881 856.2364066 1082.773909 935.774422 656.7975445 1055.99662 1062.27551 880.6556819 982.7615376 979.4800579 647.0287288 589.5742861 518.6209626 750.2483714 832.8803242 722.9027116 922.8761052 1089.817527 1029.487334 979.8716414 892.671266 756.464758 726.5983395 895.7205831 799.6043949 691.0850339 1024.673096 888.0552917 634.2906354 956.3958841 691.6879033 835.510009 767.2104578 732.8252831 799.2209883 822.1952819 708.5701848 702.5133984 853.4368329 661.9243056 697.1266567 731.0376975 672.0190561 496.6008367 1310.379773 1019.44584 511.1774602 681.1132051 998.6496538 783.5221113 1149.938642 778.4473271 952.5393827 1051.073891 813.833045 671.3406458 784.8893512 432.0789879 731.7179922 595.6395745 739.1107916 659.3180405 654.7576788 1153.100548 973.0131254 916.6826506 587.9574768 979.6511528 915.410894 1123.163975 835.0129723 815.3847426 790.8304563 779.7903343 862.7589962 625.482855 722.1334851 917.0651623 1378.561487 1133.032456 1341.979521 1160.291294 795.6998181 709.8630588 1081.262644 947.9009152 664.0070306 616.2786483 777.5361141 781.276574 635.5777016 1093.448796 504.2737688 976.758613 1020.970634 588.9446463 716.9452251 934.6313917 671.0757011 846.74959 807.3145538 874.5953897 630.615038 989.6989846 1066.74912 929.4994893 1053.991175 770.9510275 878.2065759 1086.504532 1084.897985 575.9303841 814.5002638 754.2465644 No_result_found_in_bank_inhouse +M843T48_3 M843.412T0.8_3 843.4120001 843.4070227 843.417116 0.804816667 0.7871 0.825299612 0 83 0 83 [454][M+1]2- 16 Inf 65.67071842 0 1 1 0.251982834 0.225303965 1 326.8137031 82.35144325 0.251982834 309.6394684 69.76300007 0.225303965 0.89412426 0.838056401 3.21E-07 126.4287219 458.43033 332.0016081 0.340590989 0.342830056 0.907981747 0.345691089 0.905542086 0.915966112 0.682015887 0.606797055 0.679887139 0.606926557 0.915966112 307.5898274 294.2356962 271.1385304 344.6091857 288.8434756 218.6405765 302.8744597 333.8251304 350.8474173 230.8747018 259.9350161 319.6943823 500.8360478 267.6926818 261.1798144 412.472748 348.1739118 251.2803985 323.7578546 295.2555851 271.7934139 287.1213975 339.765606 282.5506409 456.2800451 282.2068385 351.8055495 345.1265314 434.0529514 244.1327576 309.4169837 328.5714704 327.199736 439.4960993 363.5710099 292.6754609 418.2464961 250.162646 243.980717 167.7594971 393.9212747 334.0405528 303.9851436 381.9303309 432.7381395 236.1233278 338.2998823 241.2525298 372.5336506 155.4320788 416.6510146 484.0424904 439.6081494 267.6666877 438.2466586 274.023187 327.9933355 290.3490357 326.3134596 322.7259887 469.7443402 387.545213 345.5145457 184.6248728 319.5182508 321.1842895 436.649753 302.7185911 208.1846777 353.8135174 288.0606919 238.1046947 364.1792894 231.2827945 322.1879669 248.8259518 365.8646912 383.9506439 350.1219058 589.6982221 291.6751596 382.8317766 202.041532 280.4599341 279.0079697 281.0398984 280.6551828 263.8409154 311.5315383 389.0956465 375.4927938 382.598829 369.7682128 318.9681624 362.5250598 289.471294 223.2318337 303.1470361 314.2520199 324.3931926 173.7006043 264.901025 395.5952791 452.8173881 245.7453459 261.0294943 479.7466167 344.1038028 265.2700492 386.1910042 338.7332772 288.6553582 410.2426969 238.427441 262.2115678 373.1124153 397.1639739 233.0557558 314.7993198 299.5410108 326.4360646 266.9653624 348.41696 No_result_found_in_bank_inhouse +M845T880 M844.5171T14.67 844.5170827 844.5130899 844.5212134 14.6684586 14.65174498 14.68244863 0 166 0 166 [457][M]- [M-2H+Na]- 823.556 [M-H-CH2]- 859.54 20 Inf 40.19134401 0 1 1 0.38438725 0.149101523 1 765.4152697 294.2158709 0.38438725 686.8485087 102.4101587 0.149101523 0.387894039 0.976622402 3.52E-16 431.5800033 894.9818747 463.4018714 0.000268436 0.00026255 0.825939361 0.00027277 0.818499383 0.897437208 0.010757706 0.098895104 0.011798908 0.100951062 0.897437208 536.8285508 978.2377264 1019.775931 1331.712985 393.0693778 530.807194 1238.568459 1132.708107 717.7695292 501.6464819 648.0567629 340.381115 631.179343 495.1951371 430.2399326 871.2009635 777.8966566 877.4879788 1217.929955 1322.575899 1147.884572 710.2570425 961.8900395 721.1974991 452.5891993 751.6642918 578.3752507 756.3100618 509.2197958 423.5810422 670.9546524 1225.351178 540.1767179 596.8854211 747.1991153 457.6895192 526.3104701 653.0700082 994.6388068 599.5846424 655.757255 628.5766138 1025.556094 415.7919857 810.7671963 1375.337274 582.8841115 280.9965549 704.2133394 406.8753128 461.0353135 731.7676154 357.3359891 1248.549519 363.9570162 634.6308093 578.77269 568.6762474 837.9602172 673.1695798 984.9063697 510.6157752 1244.442127 480.2600121 1243.34694 785.0604595 1125.916067 541.2522244 822.0755623 855.3443181 771.0350724 783.1303899 993.0896266 1060.834237 510.405834 710.8872008 910.8901249 1268.261778 1040.205903 419.595375 887.8375487 784.7416233 691.5910807 840.2520342 831.8427026 1075.026973 1090.991852 1045.650668 967.1635688 337.658259 591.367908 636.297531 568.4106399 602.9894042 1019.480378 919.3416922 606.0722419 465.8893767 595.1010536 622.3957969 616.5107472 1508.127229 409.9407858 556.9735657 638.398233 1145.266524 933.2848011 1337.227641 860.0772502 553.8012517 630.3444093 690.8110916 952.9564377 819.7465898 488.5128718 464.0646335 762.052064 316.5992069 358.3559003 391.9110739 922.1828122 870.0396819 906.0955495 No_result_found_in_bank_inhouse +M846T880 M845.5197T14.67 845.5196941 845.5146932 845.524452 14.66827936 14.64901806 14.67936557 0 106 0 106 [457][M+1]- 20 Inf 40.17473119 0 1 1 0.414950443 0.237600917 1 389.8105398 161.7520562 0.414950443 357.9930959 85.05948802 0.237600917 0.572600708 0.914598627 4.07E-10 219.8485956 579.1917896 359.3431941 0.001165281 0.00110419 0.797864997 0.000997038 0.799360927 0.87636963 0.042082286 0.064127356 0.043049921 0.060187006 0.87636963 304.3800496 347.6188563 383.7833861 636.7621831 322.7255459 279.557719 379.9379843 575.5494782 435.1749498 232.1389772 369.5026363 291.8054124 228.3148948 251.3113403 290.9815853 472.1185739 279.8350357 576.3534052 697.6591079 641.973575 399.6809281 480.246746 353.7787233 220.7365756 157.863504 243.250955 514.4177122 363.9759263 282.0862284 303.5101545 261.0288818 348.0438356 144.9816291 261.2373394 319.8181307 186.8282393 240.1412845 455.6394336 473.4348886 377.9916839 422.720393 475.0937989 402.5309988 368.7473424 443.5810158 809.7749918 318.1433079 254.3184791 598.2647191 179.3676401 282.4326641 297.397559 122.232487 473.763063 265.9850226 332.0327959 283.279241 379.5285931 435.212538 310.9457727 429.5057929 306.3638504 435.9181673 227.735872 490.8941614 656.6000747 665.253171 406.7079321 290.3534749 425.047328 375.4135144 475.9525013 610.981068 453.0343225 330.1523434 302.8413269 522.8508412 433.4258391 609.4626935 288.2728048 527.026795 578.6296711 240.9871092 375.7514604 554.0380406 678.0695789 596.0641803 534.0275444 540.5412519 189.218217 295.591181 303.9613825 144.5031592 481.2866729 364.6072661 563.0514906 282.5092468 282.6225904 514.7261213 284.1550388 226.9705256 831.7265712 243.9336573 277.9630974 132.6660887 628.6688447 292.835798 446.377162 460.1940516 334.9467672 366.7549396 458.6921579 305.5215961 168.1272787 377.6465617 171.5658203 233.4534439 201.5083844 183.3910534 221.7647932 516.6645276 736.773202 489.1236503 No_result_found_in_bank_inhouse +M851T48 M850.8975T0.81 850.8974884 850.8926546 850.9016182 0.805658333 0.7871 0.823266667 0 108 0 108 466 Inf 60.83447711 0 1 1 0.278535333 0.209797566 1 378.5835343 105.4488909 0.278535333 320.350734 67.20880431 0.209797566 0.753217065 0.857021543 8.94E-08 179.3514922 510.4142852 331.062793 0.819778203 0.821988925 0.907981747 0.820989134 0.905542086 0.895228214 0.773844447 0.972147899 0.773753275 0.972068942 0.895228214 563.3356219 305.5569288 355.1249064 407.2216405 353.9731687 294.8114247 165.8665826 494.3156134 436.3735365 557.201118 249.0379121 345.8930212 420.6078478 320.7215725 302.8563769 466.0305676 409.4142285 301.4981331 356.3090678 443.6232899 502.598828 346.6766572 540.8102052 380.6325495 310.374967 253.7251763 282.8378184 487.9174796 374.4684676 306.0344161 519.9597466 244.5216727 275.079798 208.8960845 369.783715 489.5134309 335.2537848 478.2320355 296.5718346 351.0343427 284.5940663 217.0657885 277.9042142 437.9145771 433.2830232 323.381949 545.4645703 472.1833414 268.5434018 218.8020805 200.4604637 355.1828657 459.6248363 338.6946963 427.4832176 338.0350129 563.2790433 442.8411989 284.2813883 592.9246527 281.7817513 434.8462765 462.9776586 386.007007 361.6802557 312.9360335 251.5595184 311.8613323 542.9568584 663.4935916 432.6129859 490.0625666 208.3556739 261.8446291 418.0762626 383.8544557 332.5644051 445.902153 538.3336671 282.0522248 352.4227489 236.0548056 244.6924037 389.826977 286.3011282 353.4392188 439.810179 470.8921012 427.9635145 504.9852913 399.8021037 262.9423714 362.3517275 549.8923149 423.0950738 249.6764643 274.8867003 343.4050295 350.9649968 254.6944921 575.572041 444.2988342 391.0130261 516.3747623 278.7288443 318.7719022 512.5007411 352.6631609 339.9790634 250.7308909 446.3959566 431.9869215 285.5727359 228.4999031 493.1037806 256.9557249 190.5747854 162.8232201 461.4790003 634.8708843 385.5581031 327.0138681 396.586288 No_result_found_in_bank_inhouse +M859T880 M858.5325T14.67 858.5325067 858.526978 858.5359927 14.6669911 14.64901806 14.68008865 0 208 0 208 [465][M]- [M+Cl]- 823.556 [M-H]- 859.54 20 Inf 36.90206198 0 1 1 0.403422807 0.133979067 1 1013.811563 408.9947069 0.403422807 930.8081032 124.708801 0.133979067 0.332105831 0.979980189 6.50E-17 714.1733923 1237.840804 523.6674119 0.001645136 0.001484536 0.797864997 0.001524695 0.799360927 0.897437208 0.017110279 0.204049355 0.016877256 0.199345342 0.897437208 863.2345777 1292.714761 1299.359988 1808.1844 629.8680049 926.5928195 1045.018534 1692.644998 1194.425395 556.0915227 767.6910774 452.3243514 824.5022008 648.3166186 702.7547231 1200.840166 1031.817668 1580.098603 1912.340292 2152.604483 1505.747694 1755.606898 1212.658569 820.8518159 585.9154912 1021.114671 914.3599691 1084.757418 876.8246054 616.249051 1168.541762 1466.6166 451.9147428 653.9132619 1140.264279 733.5460019 628.6174919 656.6136209 1288.30039 1012.431597 554.0174242 913.847539 942.0106766 418.2380212 1012.307124 1819.046194 1322.29407 416.5727176 1053.348937 431.3963107 864.3803001 1046.441007 405.8277221 1234.572765 496.2092882 1016.19537 619.2389327 718.2805619 787.9629957 727.4426603 861.3525277 901.8742117 1462.082192 539.2571165 1475.44877 1536.139242 1879.93001 1000.871132 936.4314319 862.5012048 962.9002438 940.090431 1119.978205 1300.856352 785.3390083 1007.952708 1068.3127 1256.783923 1366.491501 484.2159187 1381.023582 811.4184082 974.2576975 917.9166856 948.2141256 1367.933264 1279.418119 1260.134147 1148.193786 593.1956954 777.9098077 929.9014196 784.2464166 899.5548826 761.1128553 1515.704169 540.429119 672.2276115 877.6738695 840.4366004 705.0342364 2081.730051 482.7195624 639.3582815 694.0407044 1642.875514 1355.449976 1286.993341 878.202606 657.4492324 849.0362495 1163.250683 1013.798577 994.4904356 867.3937034 693.5924239 894.5223659 606.8485174 238.1097465 681.4913949 876.5708366 1453.781958 1103.065185 No_result_found_in_bank_inhouse +M860T880 M859.5356T14.67 859.5356416 859.531198 859.5405188 14.66775735 14.64930687 14.67853675 0 142 0 142 [465][M+1]- 20 Inf 36.10007884 0 1 1 0.409685715 0.192713169 1 497.50537 203.8208434 0.409685715 491.2102498 94.66268374 0.192713169 0.470392697 0.954339581 5.02E-13 318.7033847 745.5939328 426.8905481 7.53E-05 7.57E-05 0.828852751 6.60E-05 0.82588821 0.843428085 0.010204339 0.050187272 0.009172132 0.046960903 0.843428085 389.1075175 436.5996737 591.1383499 983.9031886 267.4427909 358.0046934 683.7712733 1038.061369 506.6590713 441.801717 296.6546902 326.7049007 357.1702073 251.941375 344.5098512 513.4144755 555.5816597 815.121845 749.2182318 978.3152538 407.0784751 641.1398877 492.7680523 371.7084485 266.307568 365.9702265 474.5691381 524.1288312 370.8802217 170.5574484 262.853153 656.0203411 277.1577902 371.2684053 358.4823659 359.9314687 355.0680329 467.6841768 622.9793015 392.8954487 279.7753194 496.1840385 481.4675463 272.1037151 445.0514394 761.3005392 352.5402632 146.5239331 491.6830274 203.2886529 337.2449441 504.1212706 224.2762735 652.5474273 246.7769754 633.0406131 282.2409157 363.7547376 399.3420339 451.3809596 405.9243854 239.8738793 875.2205746 320.0593542 613.0118117 578.1314548 959.6000115 467.1810011 402.9230981 530.8920014 481.9468654 277.5452163 575.2102184 592.8058236 346.4936 594.1897814 616.0372559 870.3522927 783.1341334 285.1827546 573.1674602 591.5757085 606.9124133 448.3110558 485.01601 807.2880815 714.2344939 542.4203397 526.647266 272.0450777 338.1244818 395.2841932 373.9194877 511.5074216 339.4804729 516.8052537 324.838547 535.5578651 393.8244683 454.4846618 225.3223992 650.3330585 246.5740001 370.2329509 495.1400962 976.4532959 423.9395185 664.2061527 452.4287643 246.556749 432.1150629 549.9801475 620.7365517 542.7944278 401.9271283 258.7705897 359.4396578 301.6179414 169.2360712 227.2479382 443.172552 546.7131299 537.7703889 No_result_found_in_bank_inhouse +M861T48_1 M860.8474T0.81_1 860.8474318 860.8459259 860.8493221 0.805633333 0.7871 0.823266667 0 243 0 243 [M-H]- 861.866 16 5934.395927 278.3222151 0 1 0 0.049975058 0.026725731 1 72245.4037 3610.468275 0.049975058 72068.52798 1926.084076 0.026725731 0.534781381 0.70405835 0.000123279 68411.16582 76361.2168 7950.050971 0.437606581 0.437791455 0.825939361 0.43998644 0.818499383 0.896173123 0.876629164 0.280532147 0.875327914 0.280575256 0.896173123 71705.8541 73631.21778 76942.76619 74515.73413 67066.52157 74230.39905 76426.42213 73418.79451 75552.21865 69230.58368 77105.56385 72086.04271 76022.0009 76549.99529 76601.05858 74150.02078 67713.22012 73153.26542 67817.92552 78148.15636 69111.53176 77562.12666 61731.02591 74008.67668 67427.86959 74072.63819 75045.67084 73653.88241 68169.48857 72491.48521 69840.57047 74809.75846 71434.47516 67399.59465 74270.049 73431.0497 77019.77753 74972.13971 74017.85386 70651.15576 76802.24793 70681.80231 69040.05752 72721.27 70605.23593 74256.23242 73358.4114 80999.65015 75067.11742 72223.03855 81323.27835 67783.4849 65926.71484 73299.30642 75797.32243 67302.49154 75580.81409 73143.05276 76209.91379 72737.61026 71962.46956 73411.38847 70754.31218 75867.78977 72711.05735 68862.92801 75339.5567 75047.10138 77343.51877 70537.08401 62291.05878 70933.03368 66518.10186 76916.68241 70877.39535 69698.58249 69429.796 73467.31299 72347.48674 71684.68527 63100.94667 76313.06163 76500.06695 76096.5533 65009.37441 71905.27867 74636.14328 73761.9398 71388.51821 71788.66775 70987.26359 69979.17148 69563.17091 67660.89823 73040.92618 68521.88361 77520.5187 72947.991 73862.02384 77730.57849 64501.43868 72181.99802 76081.58434 72392.17005 71549.32687 73568.92057 69651.30668 77516.11268 78397.46502 73406.16878 68173.57364 74425.7783 69894.40642 71098.47873 73296.24262 74107.00964 70599.07978 72584.42039 71508.45817 74231.96923 69597.21809 73543.38893 72694.7171 No_result_found_in_bank_inhouse +M861T48_2 M861.3498T0.81_2 861.3498061 861.3482632 861.3516563 0.80585 0.7871 0.823266667 0 147 0 147 16 Inf 179.9459386 0 0 1 0.081481932 0.060085536 1 9014.120071 734.4879144 0.081481932 8978.801199 539.4960807 0.060085536 0.737409321 0.744859214 2.98E-05 7433.205444 10934.68869 3501.483241 0.455099465 0.455665464 0.861253097 0.458683436 0.860912571 0.896173123 0.877995389 0.465564211 0.876467087 0.46433343 0.896173123 8967.081024 8833.902124 8579.087159 8559.989015 9237.963332 8815.30104 9774.914579 8109.317744 9119.458702 8363.74879 9244.532436 9531.138252 10252.49156 9290.387075 10584.21431 9854.951058 8358.955924 8681.23605 8345.888773 9377.18853 8548.932195 9510.875535 7456.317345 8917.827917 8536.870209 9942.091515 9743.949471 8682.6192 7892.45332 10111.01333 9110.819684 8472.449265 9883.974752 9471.674083 9083.680217 8989.718877 8896.47627 9137.041042 9961.189659 8917.827917 9688.584077 9247.755874 8940.946722 8975.183985 8697.696682 9105.51437 9614.407577 10846.4813 9387.263139 10214.49135 10422.5606 8427.307175 8321.764802 8426.515185 9125.141755 8444.394988 8909.975546 9341.913869 8861.388399 8561.954466 8999.27667 8908.781428 7884.727486 9679.257804 8695.016885 8649.355613 9275.666819 9919.977875 10242.38502 9296.775293 7667.402091 8594.067329 8491.343417 10346.16803 9130.922993 9182.186432 8794.192566 10082.81468 7928.576851 9110.980776 7790.158122 9810.844343 8986.179168 9191.945308 8496.663591 9066.023981 10037.94816 8808.263693 8680.326013 8948.988046 9005.277311 8616.962566 9993.354954 7830.519631 8218.274244 9333.966415 9608.376584 8531.119553 8723.243205 9172.697383 8034.287482 9996.37045 9747.089417 9031.411613 9032.416779 8198.226203 8437.358829 8574.295509 10429.38661 10871.86956 10345.95919 10135.08328 9080.354058 9147.939855 10023.30665 9390.255681 10343.66147 8179.241695 9174.145108 9365.126544 7875.445417 8977.370006 8938.521157 No_result_found_in_bank_inhouse +M870T48_2 M869.8963T0.8_2 869.8963068 869.8915141 869.8993376 0.804933333 0.7871 0.807249182 0 111 0 111 [472][M]2- 16 Inf 66.20509461 0 1 1 0.258909669 0.183752987 1 718.0802447 185.9179183 0.258909669 652.8549716 119.9640514 0.183752987 0.709718522 0.947242498 2.38E-12 349.6175803 906.3618771 556.7442968 0.197761526 0.199503525 0.946954697 0.194579129 0.94468685 0.765470316 0.682015887 0.503713383 0.670973716 0.498017119 0.765470316 766.5318965 881.3064752 684.1382682 568.1980518 683.0042887 670.2466466 482.6745012 535.2013267 911.3862209 606.4629785 306.9861341 956.9762687 612.6761754 773.2702737 654.6900838 480.1430532 737.402292 833.2217494 912.3843394 738.2921792 792.5787937 716.1277018 899.9367618 526.7451794 781.0450344 970.2021947 649.6994867 446.8662436 913.3550873 789.1245399 644.5167545 847.7842946 1053.197163 526.693699 525.1717172 962.6048425 752.9531723 577.4052888 470.8156157 554.5898226 864.3100356 878.9317782 879.1021291 1091.8319 669.0271002 565.0213866 778.5725209 631.3582344 924.6951216 657.4424564 597.4072216 668.9704734 647.1813258 893.8418152 864.2254124 665.4452535 795.2642257 860.9610971 1080.486743 1087.047819 472.7522587 867.1472382 731.1159388 977.8332976 659.7723604 670.693194 560.4845138 972.5743104 824.6937975 652.935701 633.6461235 675.9450817 1363.121093 889.7906038 721.5221684 660.0674013 518.8326038 573.9509271 751.1426528 823.1830387 813.2936693 1078.117232 604.1089027 756.9478847 535.9882314 806.499211 426.291456 719.3088519 916.9190305 833.4776443 576.7803034 650.688146 792.5339923 696.043609 435.3744351 566.1815628 484.9969453 657.8944251 591.6353454 460.0961143 502.0696319 376.1795816 554.5423549 619.6685322 732.1771869 590.3103924 1169.316896 622.8795382 858.7705971 489.9145069 860.747194 709.1552039 1028.342905 586.6903182 817.7850271 680.4462058 710.6141489 546.8652455 375.5040429 531.9439696 658.2966712 710.7062549 736.0275105 No_result_found_in_bank_inhouse +M872T49 M871.8113T0.82 871.8112535 871.8070223 871.8163273 0.821399415 0.804216667 0.840124732 0 107 0 107 [3M-H+Cl]2- 569.897 16 165.5756426 50.9149422 0 1 1 0.292846561 0.230658894 1 1198.84249 351.0769001 0.292846561 1150.09733 265.2801777 0.230658894 0.787644194 0.864463956 5.15E-08 693.9021723 1719.093705 1025.191533 0.819778203 0.821988925 0.907981747 0.818415338 0.905542086 0.401533157 0.775003295 0.970576845 0.767698266 0.969288034 0.401533157 1142.147032 1603.146295 801.0104133 1680.198476 1348.646114 1170.57899 951.707604 1021.975843 1142.179401 849.9124764 1230.893987 1272.495053 459.7848616 1009.867009 1433.342456 916.5904966 920.3547149 839.446975 979.9683446 1099.39939 1710.304894 1375.414665 1487.57938 887.7568071 1935.768094 958.6966566 1138.971823 1154.04839 1257.487511 1027.614465 983.4096682 843.1621476 1312.477629 1147.545468 934.2868703 1042.973545 1433.692843 761.0503459 1677.374464 1332.980715 1079.416565 1113.479914 1016.977412 1312.843347 974.408343 1435.282751 1643.902445 1634.465371 897.5312209 1444.751017 669.4656719 989.4941857 1785.166665 1529.718309 952.010804 1408.758478 1024.760408 1108.759505 1015.687975 920.3370763 1259.454187 1244.671518 772.9412985 1831.489062 1130.528937 1616.311729 779.9845641 980.3298928 1558.191774 885.4230722 1728.756446 915.8483673 631.5301137 860.1780044 1085.743218 1166.554243 1104.421356 1974.266187 962.0205652 1017.387913 1735.162994 967.1814731 1386.07908 842.0063329 1028.871676 845.4486687 759.6094238 647.5040379 684.4701146 1069.402312 1187.232111 1144.051813 1636.753883 1151.828748 722.4981784 798.1439026 955.6326588 1131.483243 1120.602313 708.3451041 2013.609247 761.896412 1540.332395 1000.557021 1895.258244 1519.983613 1900.173109 1653.676964 976.949575 1317.256472 1108.75583 1685.087356 913.3614802 940.1488267 1761.522726 1188.691697 923.157753 1423.301797 1394.906902 779.8172637 1093.888061 1345.306737 973.5451827 No_result_found_in_bank_inhouse +M877T48_2 M876.9044T0.8_2 876.9044258 876.9014361 876.9082007 0.804616667 0.7871 0.821916667 0 171 0 171 [478][M]2- 16 Inf 78.87308732 0 1 1 0.1908887 0.156523161 1 1557.184222 297.248872 0.1908887 1431.612412 224.0804999 0.156523161 0.819970804 0.951030675 1.07E-12 965.7545679 2024.812655 1059.058087 0.45803585 0.455500859 0.797864997 0.459807056 0.799360927 0.970545484 0.328446625 0.949139883 0.330993197 0.949936104 0.970545484 1681.446847 1709.953959 1458.713665 1028.079476 1192.716125 1459.726927 1795.649853 1799.96702 1611.617734 1278.511339 1648.134702 1647.363924 1927.37736 1385.562998 1994.712039 1496.285812 1652.881585 1268.442321 1671.424109 1431.950212 1258.80522 907.0177232 1217.970709 1454.598954 1105.096511 1576.285757 1732.219133 1946.512698 1819.944035 1271.277975 1300.445617 1405.42687 1375.884552 1578.987494 1445.180428 1931.36085 1764.916198 1456.950817 1356.810396 1110.846866 1649.319965 1225.744523 1492.942571 1697.818136 1528.462858 1156.62444 1600.046977 1482.754256 1774.360653 1118.33903 1639.774619 1552.16897 1695.619963 1951.042079 1914.409929 1291.437369 1471.081388 1976.679376 1559.82268 2072.348592 1269.359302 1749.257422 1268.112468 1898.614199 1673.626454 1225.405363 849.5261379 1409.540987 1199.635956 1812.776147 1260.174397 1338.544204 2146.96434 1800.019608 1668.787287 1226.996739 1340.738581 1346.496445 1693.419103 1799.52886 1640.891437 1484.620126 1638.489591 1875.620214 1461.983583 1338.315388 1496.759057 1631.533002 2269.866987 1900.422914 1756.462488 1470.206596 1298.118164 1370.371558 2488.677893 1391.59298 1573.363264 1375.562834 2180.676403 1503.579647 1256.779025 1052.654521 2261.725181 2152.818121 1136.158453 1449.246184 1644.889232 1950.940824 1912.051063 1707.453202 1466.334697 1442.222172 1495.40574 1140.346345 1255.027363 1750.66204 1062.327673 1509.058296 1330.444147 1579.442949 1561.139363 1397.059007 1765.665996 No_result_found_in_bank_inhouse +M877T48_4 M877.4061T0.8_4 877.4060863 877.4011122 877.4102786 0.804866667 0.7871 0.821916667 0 149 0 149 [478][M+1]2- 16 Inf 69.74601802 0 1 1 0.26025265 0.176563898 1 665.9728777 173.3212065 0.26025265 590.3183042 104.2289009 0.176563898 0.678432661 0.883974715 1.02E-08 415.9176761 838.8309041 422.913228 0.919528832 0.916493726 0.748298881 0.916148009 0.72890136 0.498628159 0.356576048 0.766801523 0.332552928 0.760108242 0.498628159 633.3512636 622.0556859 732.1364661 555.6379211 707.8304747 570.2271642 909.8714849 689.7510859 550.7017287 785.5884661 708.8812788 859.0978472 498.2429851 461.265705 698.3062463 1147.691107 454.1125326 651.4025132 793.3639649 567.9358857 337.7203545 605.0159671 541.2651099 382.3278088 529.5043107 586.2371211 759.0574721 661.6583979 848.354718 768.623877 430.191762 488.2067806 749.9534354 617.7307205 613.3798797 995.6221769 640.6316064 449.8221299 552.4893498 427.3502226 528.3885086 927.3037879 577.6720777 707.817139 558.0252759 480.2299999 606.4496481 592.101861 931.8085669 571.6349123 477.1885595 915.392533 510.7665516 1415.563158 740.156542 509.5938149 626.4485794 655.6363315 506.0632663 919.2037303 573.7242034 489.5959396 1149.294253 994.8426395 645.7443933 644.4862212 445.0818167 688.2877884 599.2910445 652.5515222 703.2721819 736.9576519 989.2855604 741.4038118 716.2376998 461.2484128 454.2858206 634.5291252 806.9285955 581.8133064 933.9018676 591.3819878 520.123461 673.0197772 767.888324 722.6962984 534.0645838 776.0989819 664.5248767 809.5219829 849.310982 416.1230514 528.7975529 743.9093462 764.0412727 728.6288884 611.3318358 894.9217067 524.9037543 609.504589 473.7165703 380.6750063 659.8762588 572.586009 440.6632071 651.4373092 576.4411451 676.6705685 745.5366464 869.2142534 714.054175 558.4684207 779.5386528 725.3040579 714.093591 723.7039483 705.0686298 323.1178598 452.1345586 934.8088721 524.26355 959.9230463 893.2698498 No_result_found_in_bank_inhouse +M879T48_2 M878.9441T0.79_2 878.9441059 878.9405881 878.9476916 0.792786538 0.787083333 0.806316667 0 277 0 277 [481][M]- [M-2H+Na]- 857.981 16 Inf 67.12979034 0 1 1 0.2444503 0.119350143 1 1524.212664 372.594243 0.2444503 1378.710237 164.5492638 0.119350143 0.488238889 0.946707866 2.65E-12 1063.884372 1802.763596 738.8792243 0.213537654 0.216937999 0.907981747 0.213312448 0.905542086 0.895228214 0.473653712 0.703477522 0.470387514 0.701953625 0.895228214 1601.214193 1492.799429 1373.994999 1635.26104 1608.538531 1407.118008 972.6443434 1472.701054 2140.590005 850.5343823 1043.896986 1520.257271 1680.15308 1962.109078 1350.743225 957.8218735 1010.655392 1583.073155 1839.204175 1344.20178 1332.641175 1349.13858 2140.61048 887.4260921 1572.622065 1500.303894 1092.17906 854.6467642 2391.032906 1321.571059 1419.821295 2281.058077 1575.038277 1291.045561 1176.285146 1450.976865 1374.598914 1635.151914 1114.179766 1742.782031 1544.244692 1776.856302 2499.581831 1941.007082 1446.122684 1060.184613 1898.621369 1548.532741 2151.42236 1850.161661 1243.619305 1252.500033 1754.166986 1503.113772 1481.205575 1447.801643 1722.477704 2092.097497 1320.51547 1624.337993 1158.780883 1748.948037 1284.491331 2047.065401 1497.686178 1659.119648 1798.818194 1525.958858 1382.176679 1870.420953 1519.1206 1682.245074 1406.654208 1477.042506 1606.565047 1247.439901 1049.407931 1217.511559 1865.406124 1988.762225 2356.277063 1794.578423 1430.899608 1689.150597 1428.887274 935.9733349 1366.26881 1675.969624 1503.666219 1618.045673 1439.039222 1760.830579 1256.808656 969.3951054 1091.321406 1032.671232 873.5303004 1445.839556 1225.311707 1271.374806 1641.832047 1116.303604 1514.16943 1299.651284 1607.724477 1721.23834 2060.228978 2018.20527 1409.465205 1147.018639 1304.221174 1662.088181 1812.836343 1023.279207 1611.847451 1686.786503 1564.757349 1468.780864 894.7653734 1192.087143 1366.594241 1176.479128 1183.332007 No_result_found_in_bank_inhouse +M880T48 M879.9473T0.8 879.9473173 879.9423642 879.9529193 0.796487083 0.7871 0.811219444 0 129 0 129 [481][M+1]- 16 Inf 64.49839136 0 1 1 0.271156992 0.210102635 1 350.1609435 94.94858824 0.271156992 317.5648068 66.72120283 0.210102635 0.774837609 0.760175224 1.63E-05 197.4372973 509.0928946 311.6555973 0.472809518 0.478805493 0.917465563 0.474481204 0.916454701 0.895228214 0.673820615 0.875157643 0.667490761 0.875416782 0.895228214 296.1515946 354.737327 348.4159638 278.3104502 376.4458342 365.1995974 252.4371797 312.3645308 392.1791316 216.3183671 238.6932544 344.9777704 265.1401976 538.2965587 258.2526116 445.1132675 266.8854877 279.1801981 569.3857839 321.4386058 325.1388309 390.7387139 334.5507834 313.8432378 680.0082865 557.509136 186.7232767 346.0225999 497.7779848 428.4190263 244.0521346 291.418923 456.3921424 280.5343357 308.7069322 339.3380338 283.6128818 348.2362781 354.0136603 323.2274523 357.2571948 435.1200251 416.0622076 327.8245799 479.183714 191.0491802 399.9062791 384.6488958 401.4361831 250.3375333 194.2215362 318.396023 249.5388691 355.9192914 523.8469563 350.6643763 399.3426341 329.0629666 222.6336632 441.1249283 274.2165952 318.3074673 341.1730951 363.6104736 469.8592148 314.5507221 288.3054437 318.2791039 277.5150944 381.5662199 179.3632434 333.1236572 392.2935911 316.1378827 285.3609246 246.9249663 152.704515 258.8215203 346.2864116 477.3600811 360.9507021 295.1377791 375.0938301 410.983454 271.5266806 227.2453197 287.198678 372.6935539 229.3786432 328.1415043 290.5901132 480.6396313 419.3774928 337.1678203 279.0058077 251.1663942 215.0537388 248.8551424 317.9824574 231.1161746 392.3625031 347.5390018 448.3648312 251.1989387 495.7395186 308.4407617 526.34783 543.5079581 462.5885094 249.7392155 378.91337 312.4789598 190.5991839 281.6087029 306.2117485 259.8488594 336.5273344 230.7886523 274.1640648 514.5944874 291.5542601 345.4061879 309.1829938 No_result_found_in_bank_inhouse +M885T48 M884.8916T0.8 884.891597 884.8855247 884.8967647 0.804975 0.788816667 0.821916667 0 146 0 146 [M-H-NH3]- 902.926 16 Inf 73.40688845 0 1 1 0.212676666 0.192991527 1 672.6883515 143.0651157 0.212676666 597.412635 115.2955769 0.192991527 0.907441006 0.931203244 4.09E-11 411.2506758 923.1689793 511.9183036 0.997345783 0.997340401 0.715391897 0.997357946 0.695696123 0.895228214 0.197165275 0.611067583 0.194465216 0.60997047 0.895228214 568.5706614 784.9592964 862.0241354 484.7473592 489.5410142 515.9412396 648.7992666 588.0325286 575.895315 860.2679001 790.6320126 646.6987678 908.5072309 797.2457787 673.1976199 786.3311028 711.219875 595.0680575 792.2523887 643.0049213 609.6775586 514.5638572 663.6901704 665.0677555 613.0647594 552.8619495 564.486635 836.3473764 710.9661639 595.7482769 607.423009 610.4582882 591.3533548 472.883807 623.3360319 626.2272777 747.9423515 646.8433965 482.0175652 753.5789338 668.7051615 554.4806824 743.3560874 897.9986777 716.7363186 493.6052268 725.8206851 642.4691886 838.1952762 481.1647841 440.6313537 771.399082 555.8314643 894.7584236 577.8713874 445.755548 669.2835313 986.2275611 501.1914976 763.0895032 664.0450476 690.8844108 1085.116042 696.3907939 486.665559 780.0320594 394.1905213 660.3200323 667.1543899 804.2758642 677.1922085 606.8429862 618.2641989 707.6196347 731.2164823 439.4721263 544.876502 643.1131162 791.6146024 794.5942349 677.5360771 532.770495 486.5324399 693.7773948 692.2859458 592.8158326 788.3757063 855.389015 964.9483957 743.0702445 1025.396021 710.8244348 709.6147384 772.6560387 879.3223907 667.1161698 380.8997585 539.9462778 724.3466727 700.7637266 709.0461564 384.3466589 937.2498837 655.2357724 568.5955461 913.314945 559.7873405 667.2804114 692.2154718 615.0997988 746.4206796 702.7024929 738.8654337 843.8423213 440.4416356 588.1582207 609.5079475 474.3823754 555.5362597 825.5032744 719.8684032 652.3506891 860.9481031 No_result_found_in_bank_inhouse +M893T48_2 M892.9598T0.8_2 892.9597533 892.956713 892.9621303 0.796441227 0.787083333 0.806543561 0 284 0 284 [491][M]- [M+Cl+NaCOOH]- 789.993 [M+Cl]- 857.981 16 Inf 84.26025312 0 1 1 0.172901773 0.147233005 1 3421.852036 591.6442827 0.172901773 3112.535465 458.2679494 0.147233005 0.851541327 0.957860494 2.11E-13 2234.453081 4200.18598 1965.732899 0.595983637 0.596791651 0.871363817 0.585401925 0.870403889 0.701849189 0.639781915 0.978653615 0.625982701 0.978358308 0.701849189 3094.84397 3536.362231 3097.89903 2860.832689 3419.583921 2713.439061 3401.42448 4034.016858 3790.242157 3748.350421 3241.761679 3621.503722 3336.830639 3201.020325 3867.264335 4382.00488 3769.952444 3028.18393 3261.026273 2664.311418 2392.869983 2810.42414 2998.764941 2788.131268 2588.429406 2695.657278 4284.913114 3560.535763 4905.585241 2855.451449 3191.731037 2964.923752 3670.501753 3351.761565 3346.271327 3114.319598 3373.890953 3758.923699 2379.886098 3425.312122 2976.678603 3537.715943 3887.667019 4140.899644 3509.32034 2568.490965 3085.743573 3116.41213 3620.085673 2769.412928 2688.084955 3939.140605 2922.289343 5240.107692 4000.335042 2868.218254 3302.670731 3596.968005 2697.080601 4264.971568 3168.838935 3609.952498 4254.139968 3481.348588 3191.367669 2998.522362 2179.872909 2768.923628 2910.745753 3643.322406 2836.595771 3622.155463 4055.630346 3437.540029 3275.222764 3110.032511 3079.562811 3278.569587 4172.740139 5062.524903 3732.54911 3913.970952 3586.908442 3847.156018 3889.168818 3540.39014 3926.226832 3884.241821 3655.983357 4128.124913 4395.33587 3487.711501 2947.895128 3260.543083 4388.04715 2742.211082 2752.404748 2723.332753 4092.564729 3903.026902 2817.109235 2878.785777 4214.880378 3228.758758 2791.988253 3174.440723 3425.142528 3372.906261 3375.195871 3131.88854 3321.89906 3181.955408 3270.676892 2957.005538 3621.256289 4484.944309 2950.419183 2782.752915 3507.176776 3827.244869 3236.751726 3996.263933 3553.528147 No_result_found_in_bank_inhouse +M894T48 M893.9627T0.8 893.9626679 893.9571385 893.9665748 0.796624931 0.7871 0.812276667 0 234 0 234 [491][M+1]- 16 Inf 74.26555992 0 1 0 0.206409188 0.148429695 1 747.766113 154.3457964 0.206409188 691.3110425 102.6110874 0.148429695 0.719104109 0.948077196 2.00E-12 464.8713353 913.6799988 448.8086635 0.091061537 0.088473742 0.787240672 0.091232201 0.793198186 0.996694631 0.094758366 0.83793998 0.09928953 0.837982462 0.996694631 631.9718441 673.0015683 669.75934 513.8311858 602.9383552 583.0979649 713.4606069 677.9355974 708.5265778 691.7508789 780.5634025 695.6981021 1110.156546 833.8509168 750.959228 793.3918782 897.1692322 677.9355974 621.7251214 628.2264062 567.3583217 646.0829234 741.2439955 821.8344824 584.969327 778.9091944 789.4446549 856.3159329 765.7613153 668.0675392 699.9126469 706.5529661 504.2577733 733.5217997 849.7779963 711.4869952 724.3154709 843.7189749 610.0286093 752.2206307 473.6667929 612.8064134 703.8685816 780.5634025 851.0965843 558.5320934 782.0056468 618.7272483 728.2626942 519.3840069 720.117096 896.4319692 766.5394591 967.0697023 901.9405182 511.0280177 692.7376847 860.4946739 380.907046 921.6766346 568.4001515 1068.019695 563.4661224 556.5584817 791.4182666 717.4078302 403.3803846 555.6068125 684.8432381 985.1507395 645.5832101 915.7557997 810.1675771 716.0302069 849.1824022 471.7922995 794.6201969 745.3749141 726.2890825 954.2412266 712.4738011 788.4578491 661.8221028 564.4529283 851.7004194 547.6772293 724.3154709 613.7932192 827.9300818 859.429035 927.9417209 1000.6211 847.1534371 762.8008978 1158.510031 557.6741164 659.1147343 636.489753 661.1598985 794.378684 1038.126621 503.4036438 951.5240705 862.3025379 517.5201496 628.5953065 890.9626397 839.7717517 703.5925487 823.5823604 561.4925108 560.5739925 680.8960149 797.3391015 715.4342185 700.1779019 695.6981021 747.9988105 813.6690166 990.4831734 767.7349269 666.0939276 573.3341806 No_result_found_in_bank_inhouse +M895T48_3 M894.9643T0.8_3 894.9643356 894.9584 894.9709766 0.80435 0.787083333 0.807157129 0 104 0 104 [491][M+2]- 471 Inf 75.55653453 0 1 1 0.219749949 0.201315695 1 313.215665 68.82912628 0.219749949 295.9606218 59.58151828 0.201315695 0.916112592 0.735821875 4.17E-05 181.3802158 436.7015622 255.3213465 0.939074556 0.937407505 0.745030178 0.937594197 0.72890136 0.896173123 0.32658805 0.902843964 0.319688828 0.905553463 0.896173123 284.3083798 472.0953837 323.2890241 216.2134833 358.4283652 366.9884896 406.0450064 414.6435715 329.9364346 324.3179921 236.4065378 241.6245772 432.8122346 340.9068809 532.4282536 332.2988247 330.9278372 307.2094545 350.3505397 333.4138343 419.8523702 302.1631827 281.4785128 260.6287953 165.454042 300.5509562 499.1052357 372.6121953 304.5152512 251.246947 217.9612094 384.8978708 342.6627719 377.5529522 284.7090919 197.8172507 278.9662789 361.2326698 236.2639364 256.9219482 228.2876579 307.7177388 309.0738485 340.28791 306.8827527 241.9060747 400.9117209 355.2212666 382.7493377 342.3562112 266.6622695 360.1761983 233.2455025 363.7088634 332.3912526 232.6413395 347.149089 373.3449609 343.9548647 275.0027754 325.4515367 265.7810241 249.2834105 280.6055208 303.2320054 264.0864772 205.1204714 371.9759498 276.0611254 341.9093608 292.3745668 288.3488317 412.0990577 329.2049975 287.8691749 279.364343 258.1692731 392.6789173 375.0327557 417.3428854 251.6094579 259.5090396 272.579198 423.4497578 476.2123218 331.9308746 286.9080884 437.8951229 484.9311176 348.3781445 267.2243487 249.4264494 240.3027349 316.401377 304.6772744 380.3689898 236.2605006 311.7680396 279.7733327 299.7510656 272.7722725 287.4911223 428.2099573 345.7119721 222.1696037 236.9088476 332.0770406 299.1677564 467.7802814 362.1254851 515.1031897 211.0636203 346.9535511 265.7655343 320.1274121 284.5686639 311.3768804 308.3909431 235.447363 428.0783391 223.7287588 426.1218291 248.4145088 No_result_found_in_bank_inhouse +M896T48_1 M895.8443T0.81_1 895.8442798 895.8424748 895.8461706 0.805866667 0.78875 0.823266667 0 156 0 156 [M-H+NaCOOH]- 828.862 16 Inf 181.1875051 0 1 0 0.085502986 0.061290488 1 5486.46239 469.1089176 0.085502986 5494.844166 336.7816791 0.061290488 0.716822775 0.727244458 5.67E-05 4839.213066 6420.770111 1581.557045 0.435247538 0.437791455 0.907981747 0.43998644 0.905542086 0.9676708 0.859653827 0.549936396 0.860384314 0.554407338 0.9676708 6004.479172 5763.88263 5406.664584 4781.966805 5494.673752 5710.271647 6029.073466 5504.718859 5646.354874 5417.326425 5613.206019 5990.902058 6600.640077 5591.106783 5979.85244 5275.69041 4981.326286 6094.366664 5328.45951 5659.245588 4710.306355 6111.256802 4901.236484 5812.788288 4981.158816 5316.829655 5278.703943 4746.516791 5119.991245 6240.020721 5366.704516 5622.246616 5139.07695 5047.043878 6381.628976 5712.652583 6373.62065 6309.331963 6382.747027 5127.858306 5780.959313 5129.031842 4978.802474 5725.711222 4582.98809 5757.855566 5485.098414 6444.940913 5895.473537 5703.24599 5792.662948 4846.96348 6179.454003 5408.285828 5448.466258 5048.422024 5069.765708 5636.309766 5519.78652 5116.977713 5473.579026 5682.741352 5189.302487 5653.386449 5325.915947 5880.405876 5700.782693 5430.073664 5650.372917 5288.903865 4036.445952 5350.024205 5341.988119 5874.414752 6042.688174 5632.457637 5737.231475 5383.277957 5432.394086 5811.094635 4775.444061 5454.493322 5586.688561 6167.695948 4662.271148 5028.580768 5914.559241 5630.282702 5547.912821 5565.469215 5057.574252 5864.333704 4812.355754 5942.685542 5536.863203 5453.934439 6238.438403 5497.687284 5081.819837 5527.822606 4913.276878 4741.695233 6266.228438 5319.249065 4682.630208 6068.249385 5116.045189 5599.142869 6087.335089 5612.135748 5114.968692 5051.529688 4925.116162 5127.022821 5778.950291 5641.680588 5490.655709 5538.872224 5551.847422 5458.354165 4934.156758 5410.29485 5545.9038 No_result_found_in_bank_inhouse +M904T48_2 M903.8905T0.8_2 903.8904927 903.8861163 903.896026 0.804783333 0.787083333 0.807246739 0 139 0 139 [494][M]2- 16 Inf 67.22710073 0 1 1 0.2451653 0.156949929 1 1041.459355 255.3296955 0.2451653 934.4791315 146.6664334 0.156949929 0.640180029 0.95159392 9.41E-13 611.9750763 1332.012595 720.0375191 0.964270498 0.964678143 0.87036886 0.963828739 0.870403889 0.833760387 0.803335144 0.825522489 0.797352852 0.826905887 0.833760387 891.2701856 937.7754963 843.8906626 709.1550585 1038.967669 969.6712469 754.8762991 783.8159363 1074.061767 797.6826269 589.9226863 1079.946584 1128.696022 1383.401292 877.9262939 788.8031587 720.9399135 1086.818634 1186.34949 1022.518038 801.5646096 1040.471853 1148.625252 841.0736833 1026.185813 1496.728959 1246.114724 765.4988845 1279.606651 1327.131058 1116.761072 1504.655486 1271.682259 911.5340095 1049.742245 1377.372846 945.0960941 771.1095185 904.3895229 879.1734816 800.8771539 1104.992767 1748.383445 1228.165973 1166.462025 943.2463581 984.4209972 1326.985781 974.5841353 1002.844698 1079.955254 1036.79119 995.2679546 775.6156881 1160.604976 1006.958365 907.8670816 1230.042597 624.3899785 1331.671299 704.1700553 1080.751943 1074.925691 1232.426099 841.4627152 1052.699141 844.415821 1114.663252 924.2973536 1077.726819 753.7486187 1214.176208 1299.932781 944.0233792 1362.901532 663.7115229 681.3369677 727.1267229 911.2656334 943.036016 1044.745836 1731.599855 1184.699956 1104.678723 930.3090653 938.3889317 833.4669749 1033.23911 1097.160038 919.9994317 886.1017675 1253.228648 935.9580152 916.6991267 892.0473283 967.0534686 680.8887192 1117.644848 956.201247 708.7518932 921.664682 583.7665214 924.1233966 706.3067519 999.0210093 855.2865404 1368.871636 1215.163295 1560.076593 1068.461768 1056.841932 1078.391652 1057.617652 714.6530894 1073.910172 848.542533 1089.851053 834.6289261 722.791457 812.190909 605.2175843 886.29046 945.8974391 No_result_found_in_bank_inhouse +M904T48_4 M904.3922T0.81_4 904.3921778 904.3875713 904.3969701 0.805016667 0.788833333 0.825299612 0 84 0 84 [494][M+1]2- 472 Inf 67.23761741 0 1 1 0.264048663 0.22525185 1 426.0989007 112.510845 0.264048663 398.1365797 89.68100099 0.22525185 0.853069458 0.875321199 2.17E-08 244.6211614 688.0660109 443.4448495 0.436684449 0.437791455 0.917465563 0.43998644 0.916454701 0.897437208 0.652352267 0.854056133 0.651421769 0.85558351 0.897437208 404.9795206 412.2530196 330.7703486 254.3998047 590.7017336 350.3249987 274.6292924 446.1836515 583.0825033 457.3347418 307.3917637 667.8630893 560.417992 481.8883334 541.3258342 489.4656795 223.0169198 465.6886401 742.946737 494.7896665 301.9217898 551.0507732 488.3724729 491.1650372 396.0440489 489.0974008 300.947011 230.5041901 517.4763154 384.5322145 299.2847058 449.8353649 519.1192428 246.2969725 201.3489991 446.8514093 485.5866245 357.6736698 341.7760858 439.5841659 509.1154163 588.3218902 512.8862388 417.7707064 287.7817916 528.7540796 438.671947 370.3800348 506.2717582 418.0086831 402.7881405 434.1919293 516.1992149 499.9654162 340.1031857 301.1908056 417.1409954 487.6023354 456.1632199 579.529182 318.2210859 404.1478522 450.7808023 585.3234801 356.0099199 362.7758991 298.9949111 384.1123489 291.8604386 557.9062101 208.9247481 481.1210107 582.6309551 467.153571 455.8193622 376.8958391 246.0384851 417.6397058 367.0277045 497.2586901 955.3765175 624.8481548 428.8409679 331.6716552 359.3177348 394.8134674 341.7725263 396.1084752 390.4142053 518.6989572 515.2015423 530.0804385 347.781526 526.7050421 513.3264836 368.0968755 210.8638919 403.6473992 281.4343872 366.5369073 313.4672431 278.6173027 462.652462 337.6614213 392.2209917 395.5065611 629.940725 530.4276915 434.3941409 572.5808983 456.3618802 361.9185431 371.0387444 448.3396485 495.2863728 596.9991912 457.1756644 417.1586639 255.8702318 302.4518156 322.5928521 264.2791092 544.11431 No_result_found_in_bank_inhouse +M909T48 M908.9339T0.8 908.9339445 908.9298576 908.9386845 0.804616667 0.7871 0.822843825 0 217 0 217 16 Inf 75.98900011 0 1 1 0.212083872 0.168357894 1 580.3730751 123.0877691 0.212083872 539.7937931 90.87854641 0.168357894 0.793826954 0.893051952 4.37E-09 314.4780503 748.7354363 434.2573859 0.566132334 0.553188753 0.715391897 0.537461595 0.695696123 0.219755145 0.327015996 0.353431511 0.302944209 0.323547575 0.219755145 635.7778942 717.0108439 741.1210585 542.8436425 534.1120807 501.4200783 586.7149081 741.162788 469.5042708 842.794047 392.3630611 552.2589868 659.4149276 458.4733241 583.1669306 549.6358123 705.0534641 520.6300921 706.9891117 440.6978986 389.8785698 398.1192236 638.730097 606.8418021 560.0620618 528.0323036 622.0623901 905.0518023 664.7268601 438.8956375 600.102527 448.0739562 710.2363121 571.8899988 631.5838178 526.1230242 489.1667619 486.3969141 299.2898667 450.3446193 448.1784425 618.8546231 967.4892698 732.8918138 528.4229719 574.2002582 677.8237197 436.4935396 552.8303748 501.9552777 504.1774288 775.0862382 515.3454173 889.6869976 658.68938 420.0746904 640.8797856 557.395413 517.6108167 852.4438789 664.6761555 717.3577374 571.2717112 487.8239745 624.7626401 519.8135595 357.5092456 493.4242257 473.1027738 762.7150062 662.2251329 560.7738162 630.9913982 593.149643 499.454015 527.8415121 621.9178556 604.4006015 741.1930462 843.3731292 526.2744526 447.5989449 531.002265 756.2774819 524.0119546 497.2350813 371.1236645 849.7736069 786.1378695 548.2620016 710.3466909 693.142629 631.1767498 412.1158431 796.4910412 579.3290476 584.4206333 341.63605 637.054315 372.8096657 677.046584 505.8363662 596.5272849 598.2012622 448.6924575 467.8188202 470.0477023 525.6682811 364.2568987 534.0224177 498.3057197 619.8823577 549.7277684 477.512231 422.7963663 786.6886204 524.5806873 492.1607421 557.9103724 713.1519142 545.2551241 625.7448418 785.4615619 No_result_found_in_bank_inhouse +M911T48_2 M910.898T0.8_2 910.8980189 910.8951148 910.9007697 0.803624359 0.7871 0.821333333 0 150 0 150 [500][M]2- 16 Inf 79.342924 0 1 1 0.1815747 0.119166124 1 2246.867142 407.9742278 0.1815747 2056.312503 245.0427909 0.119166124 0.656292556 0.965106363 2.74E-14 1581.688033 2552.927098 971.2390651 0.841778081 0.840061433 0.81438186 0.840202459 0.810685871 0.895228214 0.513515662 0.902843964 0.507855475 0.901901873 0.895228214 2345.599857 2211.344962 1766.156129 2211.230459 2293.369216 1664.018477 2507.558199 2388.54492 2387.220618 2636.196164 2735.730203 3135.237428 2627.924176 2483.886339 2277.225626 2248.392007 2613.785572 2021.734835 1923.232723 2097.940905 1909.45472 1722.411307 1861.355982 1803.146755 1789.866304 2033.234657 2353.55674 2402.064487 2508.419346 2262.689863 2004.269494 1936.300489 2242.961816 2107.875969 2477.990999 2173.475061 2417.134609 1617.069041 1838.900913 2049.100094 2219.758186 1504.319415 2709.754119 2525.672735 2235.454856 1608.797991 2675.551975 1768.655119 2377.602898 1792.581454 2334.377861 2304.745193 1357.426479 3346.95885 2463.326279 1576.00095 2373.537385 2343.132829 1945.185605 2939.030242 1640.37521 2332.290626 2233.203462 2359.024773 2410.934782 1805.013546 1346.623554 1856.052854 2133.021991 2534.895762 1456.43295 1939.729303 2667.869415 2737.355515 2138.62773 1746.388007 2181.160277 2185.778713 2807.058428 3129.276066 2815.583935 2413.908888 2609.390724 2633.153655 2322.391053 2541.601056 2066.244858 2308.028246 3059.220994 3755.03049 2895.473474 1746.050559 1781.772383 2238.185237 3604.13528 1972.411651 1668.358927 2169.231848 2557.429919 2210.898544 1910.864766 1765.379204 2936.543511 2450.190396 1509.08713 2654.494363 2478.010888 2215.677724 2276.913212 1848.770861 1923.422895 2050.010805 2572.72712 1892.57244 2009.160064 2506.905331 2293.149904 2383.49079 1800.662606 2306.936077 1993.874153 2124.998082 2093.841791 No_result_found_in_bank_inhouse +M911T48_4 M911.3998T0.8_4 911.399839 911.394856 911.4040444 0.804816667 0.7871 0.821916667 0 173 0 173 [500][M+1]2- 16 Inf 71.73014303 0 1 1 0.2054673 0.181875229 1 881.6918871 181.1588511 0.2054673 808.7653913 147.0943904 0.181875229 0.885178464 0.960973571 9.20E-14 446.4015036 1276.232468 829.8309644 0.753772144 0.752179857 0.748298881 0.752469154 0.735276384 0.895228214 0.32658805 0.875157643 0.319403577 0.875416782 0.895228214 987.0686536 991.0222027 908.6355326 553.7224974 827.7926049 934.1986583 943.428478 856.5837834 733.0486683 929.6304045 980.5032866 890.6420786 947.2814429 892.8461459 722.0154817 991.7359941 754.2753006 994.4331804 928.852323 746.1286632 697.1655596 782.3960738 634.5126865 949.6787135 814.1817412 690.6541596 816.199718 1026.681261 1015.863796 776.0325545 659.7646666 734.0216838 929.5973055 1101.594337 1191.372278 819.3468089 1090.975862 777.3728803 837.3797511 746.8791127 657.0992183 826.2138113 861.8382506 939.4078423 862.2437365 794.0071508 741.0408414 598.3069967 851.8705304 661.1054077 746.1476266 924.0212153 892.9130397 985.6844122 1121.219742 739.1436405 756.5795274 938.1141272 704.1579579 1001.333354 695.0942272 796.9299597 1110.696088 853.1397171 648.3229182 752.6765343 558.5531766 748.7774481 960.5171007 827.8548764 644.9590346 853.172551 1049.562278 829.4184744 994.8685409 1103.059812 851.2605739 732.7654199 959.7119532 1096.704638 960.6907168 938.6145525 788.0924205 1091.765931 962.8369808 956.2765167 897.0848929 805.1827579 1129.56145 1473.31036 1392.196103 689.4736649 819.2243811 750.0249964 1127.296938 1002.983133 823.2488001 956.7925941 984.8443994 823.2273506 889.2659843 840.7324097 1059.025866 832.5941364 573.6526164 770.4774356 934.6041112 901.6683651 676.1426997 870.0788165 929.0290632 1033.844465 999.3137864 566.5230426 767.0935416 1018.355236 976.5915819 596.6032143 649.0034467 1205.303014 887.0735511 594.7466471 712.8877014 No_result_found_in_bank_inhouse +M919T48_1 M918.8852T0.8_1 918.8852078 918.8812998 918.8896241 0.804866667 0.7871 0.821916667 0 171 0 171 16 Inf 69.32831714 0 1 1 0.230997314 0.188555696 1 921.0187496 212.7528573 0.230997314 844.8870627 159.3082682 0.188555696 0.816267916 0.940585883 8.51E-12 532.7092766 1201.300222 668.5909449 0.996983264 0.996966251 0.828852751 0.99689455 0.82588821 0.895228214 0.701085511 0.766036807 0.698784991 0.764033104 0.895228214 887.3438753 697.6774249 731.9480371 759.9597265 724.9276016 665.9416153 1033.532922 1105.762801 1126.99537 880.8858834 854.9701995 1084.76887 1100.801068 958.3310889 798.732764 956.8567907 839.6665312 732.3847973 960.2550579 998.9810652 680.0140176 782.7169928 635.8232837 886.4136758 783.773869 829.3688336 972.5625253 1094.087196 726.209599 753.3549484 789.5208353 685.7740066 734.2306578 1056.094067 734.7304022 650.8169672 1085.585564 853.0180653 783.2635314 663.2814388 1001.993833 767.7731815 929.8545171 990.6331232 1212.439759 703.1290054 1021.757711 770.2627022 936.6341113 578.4469752 940.1919971 1084.432246 764.1634577 1039.856876 1324.468148 971.0041149 978.7921237 1215.376077 812.9895598 1094.489144 933.0159717 869.6906128 1132.952688 972.6928104 639.6179451 807.7573405 755.5891797 676.8937676 720.9503259 1654.8401 795.9008193 681.2530884 941.8653701 948.1973342 1066.073182 961.0306149 855.0530276 933.5957711 1154.933185 1423.779464 1135.968583 794.1152099 779.0123887 942.69857 935.9488335 917.3057746 898.9873253 982.3842624 1489.41048 1101.254896 1061.320542 902.7848598 949.7434751 843.87825 1321.305944 943.9924576 925.5743288 613.4489506 1256.23949 987.3329999 714.5751841 608.3806603 1460.155111 997.9566693 707.80834 1196.713248 844.3095449 700.753039 896.2448669 1019.010941 653.5539788 691.6079469 964.0906591 752.8588108 645.8266367 1245.853678 868.6129393 704.8603006 1009.28109 986.354581 1112.383406 981.7009742 968.3929986 No_result_found_in_bank_inhouse +M919T48_2 M919.3873T0.8_2 919.3873462 919.3803347 919.392 0.804866667 0.7879 0.82305 0 124 0 124 [M-H+NH3]- 903.36 [M-H]- 920.395 16 Inf 71.80704073 0 1 1 0.236433989 0.185160863 1 385.7947663 91.21499536 0.236433989 376.166509 69.65131548 0.185160863 0.783139786 0.898739206 2.46E-09 210.471439 524.5682961 314.096857 0.774168629 0.768555237 0.745030178 0.772746519 0.72890136 0.953173798 0.254001584 0.849414503 0.257310219 0.850205389 0.953173798 265.3419467 326.7185393 632.5183451 393.2911264 406.2747932 307.0544764 309.8458639 318.8043505 442.0049197 457.5493939 378.907378 477.7404384 595.6401642 467.1202825 496.9133478 432.0778411 410.8139651 366.7193259 480.9299397 355.3369831 362.5419098 290.9243064 305.9364902 394.8291943 228.2418876 292.9428633 396.441203 495.6971031 347.6512798 305.2126599 336.2125472 308.0545868 454.5648888 329.0448647 427.1496729 487.5915669 404.9868745 332.2644479 242.6315553 298.0153022 261.4299204 352.2855911 516.1243537 327.4445803 444.4385199 275.7900748 359.1809843 334.5830611 266.7175643 300.6947715 418.9823762 478.1949469 450.7571014 361.0246694 499.6956185 269.8192458 417.4592254 484.8564919 261.5457645 360.0782597 208.0170178 324.6939775 541.7073054 342.418393 474.5027067 481.7732953 258.0935637 361.9466266 294.4043578 521.9083159 350.5458356 459.5308408 533.9817313 327.2365454 488.2817023 310.9208419 328.4497582 430.2331131 453.8932297 448.6745827 329.7064911 312.1901662 450.3770382 397.2114414 330.4082389 490.9500058 337.0979391 412.2762107 426.3256463 669.5879009 473.352565 290.4789609 340.7976898 662.322177 489.4564833 336.8752016 317.1575303 241.3659451 313.1522013 464.511724 369.7057585 363.9455627 404.4474641 323.8862046 340.4553357 511.8910984 578.7231642 430.1954647 310.5045299 331.3973956 370.4632316 345.2884435 297.8621546 403.8809739 293.6840311 277.6720665 406.725469 325.2963134 392.4364687 419.6153337 321.5265682 309.7038243 467.0896239 No_result_found_in_bank_inhouse +M930T48_1 M929.8382T0.81_1 929.8382051 929.835882 929.8398901 0.805683333 0.7871 0.823266667 0 237 0 237 16 890.1332217 216.8104418 0 0 1 0.066619449 0.044725461 1 10920.94637 727.5474298 0.066619449 10953.17778 489.8859214 0.044725461 0.671357408 0.732139218 4.77E-05 9660.408707 11996.6608 2336.252096 0.193417662 0.192236317 0.828852751 0.194294842 0.82588821 0.924056199 0.328446625 0.634369991 0.330993197 0.635701581 0.924056199 10770.98239 10871.44602 11900.21433 12818.52365 10447.71926 10965.98632 11013.63807 9956.995858 10969.42419 10709.08122 11103.96065 10295.01908 11314.64486 10914.68721 11385.79904 10287.44443 10367.04568 11266.68694 9398.990451 11808.68187 10561.05469 11623.62712 9503.456842 12249.43055 10885.39796 12468.31251 11461.91856 10425.74584 9467.287411 10989.05026 10565.03436 11414.52579 10552.69638 10591.89715 10778.94173 10507.43613 11302.21201 10377.6696 12050.44695 10412.8119 11579.193 11200.74201 10751.08403 10815.69334 11952.94499 11392.49193 11537.06926 11127.29604 11883.51696 11505.23188 12098.20301 10398.88305 10917.23534 11398.02377 10625.3771 10553.09534 9915.117712 11054.7764 10853.65106 11559.4855 10425.15766 10731.18567 10248.4504 10724.69504 11156.67264 11433.07631 11919.11777 12134.02006 11165.62958 11006.77796 9655.679298 9812.768371 11045.537 12262.36449 10889.37763 10340.18289 10345.15748 10756.05862 10346.35113 11270.97982 10507.6338 11921.8773 11071.44763 11299.99768 11169.94451 9898.848503 10999.77832 10935.44482 9972.614625 11534.0845 10546.13092 10330.84377 10321.27945 10246.9632 10280.25935 10480.46633 12141.97941 11039.92461 10441.09591 10872.00719 10496.38502 11222.67517 11570.89647 10886.39288 11438.57237 10676.95685 11291.32451 10853.34892 11165.5525 11764.90548 11240.37894 12233.51186 10432.29858 11030.16871 11915.79007 10796.85026 10427.91933 10294.21492 10994.83894 11827.58532 10782.76676 11447.56033 10698.31954 No_result_found_in_bank_inhouse +M935T49 M934.7876T0.82 934.7876 934.7830181 934.7928986 0.821970879 0.804200066 0.840124732 0 69 0 69 [M+Cl]- 899.812 16 482.4038193 46.89583395 0 1 1 0.340878861 0.221706376 1 3506.024335 1195.129581 0.340878861 3071.625513 680.9989616 0.221706376 0.650396378 0.912049671 5.56E-10 2108.651148 4848.341971 2739.690824 0.011001196 0.009899878 0.755557592 0.006479753 0.735276384 0.114960534 0.34194202 0.050187272 0.319403577 0.046960903 0.114960534 3657.799558 3717.507932 3379.726036 2766.124176 5356.975013 4070.316317 2666.287834 3238.606892 2305.042574 2804.118569 3446.675342 4120.223467 1456.879151 3513.758883 2137.395236 3753.020076 2534.362765 2240.761693 4967.336194 3257.723769 4614.102873 1949.81567 4461.563346 4590.776828 3034.466513 3368.957577 2661.291775 4203.004574 4033.590398 3555.147803 3614.590754 2832.959168 2561.04466 4050.083688 4090.475967 3796.040401 2826.395068 3599.024798 2179.425776 3970.988911 4462.780705 3799.492886 3624.347728 2677.384611 2629.863109 1671.511664 2717.925821 2603.15841 3155.177319 2416.811463 2429.591714 1492.807632 5951.47532 3499.529472 3486.706336 3122.178163 3480.125781 3700.408968 3272.010227 2930.421156 4527.130553 4756.278384 3434.5632 2717.88072 5819.629578 4561.605876 2233.29098 3736.590646 2278.62526 4416.784598 5281.172484 2879.540728 3528.804056 3559.204163 4714.398327 2908.917858 2493.330896 2146.49507 3019.213511 3489.894382 4954.03653 4740.945358 2555.529655 3325.434381 4459.134047 2933.262668 2743.071699 2767.998278 2277.603922 3928.568043 4385.386005 3887.031687 2780.969853 2718.852735 2285.999026 3759.053216 4040.516343 4002.914663 4516.513401 3401.041888 4275.145861 2632.045518 3157.675486 3345.8424 3432.495431 3589.338836 4515.429318 2477.195294 4634.293151 3671.277306 4063.134047 2336.796887 2498.342385 2846.69554 3375.850221 2713.497021 3290.878366 6303.301738 2727.29939 2740.019341 4809.52534 3454.309394 2606.618797 No_result_found_in_bank_inhouse +M938T48_2 M937.8839T0.8_2 937.8838846 937.8801212 937.8870673 0.804833333 0.7871 0.806543561 0 141 0 141 [M+Cl]- 902.926 16 Inf 71.77884947 0 1 1 0.224919385 0.1457812 1 1156.506251 260.1206743 0.224919385 1082.891032 157.8651544 0.1457812 0.648148671 0.943360471 5.10E-12 655.6188999 1466.630966 811.0120658 0.944118493 0.945121772 0.907981747 0.945837616 0.905542086 0.87636963 0.913940548 0.825522489 0.911952536 0.826905887 0.87636963 1387.766638 1081.781712 1292.959414 964.9263589 1298.583312 924.2562757 972.251364 1133.640617 1594.944971 746.9706765 752.2380061 1110.933412 1127.609665 1190.543912 1005.691704 841.7756634 580.2356557 1564.783904 1617.419072 999.3218117 977.4462305 1110.670508 1376.444436 967.7136878 1249.977097 1543.70008 761.2346888 970.1940913 1305.669103 1014.065237 1043.268655 1501.97348 1276.929778 1007.968368 995.6608569 1544.892159 1081.251751 1132.57726 805.2931224 1095.786577 1395.564044 1523.087603 1554.213326 1484.917418 1372.470961 1088.464944 1971.340906 1157.207831 1172.573752 876.6735734 950.3203938 766.5405275 1314.960048 1340.67789 935.3595225 900.2713581 1185.551355 1197.389728 909.5606628 1447.860043 970.1232511 1196.171563 1142.295807 1536.449775 1250.46242 1435.316083 1135.108337 1085.894118 996.9409948 1343.099736 735.0606962 1239.578414 1652.108596 1373.51886 1308.80017 1084.655849 803.2841947 1004.15932 1324.662546 1112.537655 1489.297235 1513.291251 1268.25747 1413.384544 1197.223046 1035.57509 1017.363002 1325.983528 1287.473344 957.196298 1240.027358 1154.324232 1088.040679 1039.699892 930.3168044 984.7749287 671.9530357 1277.229409 787.4506788 955.7748962 776.0278705 811.2063842 1078.117399 940.7874426 907.2591562 1107.090738 1307.700801 1257.228407 1400.08325 885.7638697 1099.665191 1071.20115 1336.000477 1105.93053 1566.25147 1032.983823 1336.791905 859.9717726 703.0327533 1127.043831 803.609489 1112.810238 1312.75187 No_result_found_in_bank_inhouse +M938T48_4 M938.3854T0.8_4 938.3853995 938.380094 938.3895885 0.8049 0.7871 0.823266667 0 105 0 105 [M-H]- 939.392 16 Inf 66.04299818 0 1 1 0.254758879 0.198641833 1 553.4023271 140.9841567 0.254758879 485.7296635 96.48623087 0.198641833 0.779724867 0.943184408 5.27E-12 338.1985084 796.6654554 458.466947 0.378778239 0.38275179 0.907981747 0.385069178 0.905542086 0.896492805 0.62396837 0.825522489 0.625982701 0.826905887 0.896492805 484.3774982 516.1761846 681.7295208 463.3591758 579.4302143 410.7837212 463.8172079 550.7713012 593.3752923 338.4032515 398.0824186 484.8893657 602.6426126 620.0100355 1022.97043 409.9411766 293.6855606 531.3618205 535.8257633 480.0860545 339.5177626 421.6285939 569.3738496 419.1729617 721.1561623 701.5097344 404.7124225 363.9368714 647.3653896 542.0652679 489.8527947 604.199204 919.0945581 440.592562 507.0192827 818.6881176 550.5090417 405.7244109 544.2645033 466.8916609 537.9974992 719.6355302 842.3022998 844.9219033 657.8723975 472.2688333 683.3428432 576.6252195 527.5489979 320.7116125 406.0744365 511.2458206 752.1355408 433.3065337 491.0810089 428.8307785 648.4286621 677.4979006 422.0685189 829.5295311 453.4244789 442.3925644 445.2379171 650.7479934 490.0073464 655.509811 512.5109071 627.5335234 407.0989452 565.4443697 567.9646856 726.1534545 807.4016212 474.9695906 465.1179853 563.4259218 394.2718388 406.2410539 804.0594006 451.7938544 705.1294501 731.5529641 760.455083 473.523346 398.9355577 519.7966488 289.2259523 558.227779 362.3495007 480.2280158 607.0625515 508.7686889 609.8056936 600.5769906 499.5343064 678.4931379 495.6299832 462.9241701 322.8695941 410.0542433 477.4393695 409.2854707 445.6691341 468.2079759 614.7945677 441.9796076 873.265063 398.4225502 501.8611768 400.5547941 619.0668806 558.8165766 650.8009534 570.8285409 529.2024969 617.3458725 496.8425466 423.5725738 426.3233267 429.2222658 459.1823597 620.9986893 489.3565095 No_result_found_in_bank_inhouse +M939T48_2 M938.8871T0.8_2 938.8871411 938.8796709 938.8915043 0.804866667 0.7871 0.813866667 0 74 0 74 [M+Cl+CF3COOH]- 769.91 16 Inf 68.27082777 0 1 1 0.260590528 0.219007666 1 307.9142266 80.23953081 0.260590528 282.237775 61.81223625 0.219007666 0.840428343 0.807809946 1.82E-06 176.38925 481.7709289 305.3816788 0.786431532 0.787082975 0.812332331 0.791662897 0.810685871 0.927138791 0.458835743 0.989714906 0.464252459 0.98888698 0.927138791 272.6453702 286.7066628 249.7649924 203.6342617 381.0490316 289.2274164 227.9767347 176.31186 485.9504394 161.2614355 310.317962 375.0931907 351.372942 341.622972 200.1171349 192.3464866 311.9969394 221.012659 336.5716688 338.9863688 271.3069109 339.9054964 470.0346871 301.7602231 361.0818285 385.1243069 258.7288413 223.7298557 332.8769946 276.0186895 312.9095107 336.5653155 285.9074149 268.0008953 193.6083055 298.4489204 255.70482 345.8175275 216.198514 251.8781399 536.2384058 250.9289743 465.7009095 247.4554271 381.3634013 259.8991333 289.6809501 353.8416827 322.3041096 269.3008149 243.3936264 239.2354993 341.4575145 341.3056878 292.1956749 166.1454536 322.7273927 287.4307054 300.6844326 411.5807884 238.9513343 574.1245634 252.5801796 195.8700398 322.4031132 280.2205104 321.7667463 315.259317 358.8462848 362.4185691 224.6805421 207.5849552 313.8409451 337.9779331 220.7355284 353.9817045 179.5869322 302.7863759 364.8858234 232.6493562 275.8816728 313.4422224 318.1916934 289.7381807 221.6874038 272.4685798 230.5663465 287.9072978 259.2383188 282.0416898 281.6579891 296.9220028 281.692586 346.5635745 274.1324041 265.5843138 167.5603813 349.3652742 172.7727814 314.7581903 173.3018469 245.4059944 227.7433085 429.7029524 290.5613804 186.5598019 419.1599163 456.9897804 398.1101791 313.2751337 271.4202156 344.812855 339.5733423 211.3646573 263.9304733 391.3845216 437.4517997 307.8417429 192.7531197 236.3102913 233.9681263 187.6187616 254.8234141 No_result_found_in_bank_inhouse +M940T49 M939.799T0.81 939.7989828 939.7953233 939.8040835 0.813854167 0.8044 0.840124732 0 98 0 98 [M+Cl]- 904.835 16 Inf 57.86642161 0 1 1 0.253042905 0.190948166 1 1696.036801 429.1700785 0.253042905 1492.363168 284.9640104 0.190948166 0.754607866 0.936072308 1.87E-11 960.9150804 2208.609819 1247.694738 0.423068519 0.417779292 0.788168955 0.397070855 0.793198186 0.469730133 0.847533043 0.203507136 0.839600233 0.179094883 0.469730133 2031.686905 1907.765849 1395.9757 1523.082799 2025.072686 1800.341035 2342.659617 2226.634875 1273.340583 1665.285126 1602.795104 1482.830547 684.923118 1459.964945 1401.92129 1576.296075 1722.003034 1347.498621 1688.68863 1451.255722 2086.139692 1867.0581 2591.823728 2232.938033 1637.663744 1244.083729 1507.508688 1531.072788 1747.533033 2015.469216 1749.050576 1302.002718 1347.66478 1854.91804 1602.477566 1490.36186 1270.988495 1536.204717 1652.110398 1838.227525 1404.655709 1499.706015 1588.801189 1303.098958 1819.966548 1652.937563 916.2551928 1449.076211 1194.265337 1449.024522 1903.497018 1675.200297 3104.581843 1836.499243 1361.59481 1962.992484 1385.168148 1826.932945 1852.525439 1201.12376 1947.320328 2248.999269 1994.600037 1182.715355 1750.998049 2295.699761 2007.038173 1518.741418 1636.435254 1217.082942 2551.656157 1849.685119 1795.630845 1967.97595 1543.806244 1852.206108 1878.104663 1279.354129 1403.354058 1498.655045 2479.430011 2100.880718 1730.708988 1459.802976 2015.997965 1895.52086 943.946389 1247.000061 1671.928507 1578.338596 1750.385547 1705.463887 1990.777639 1813.174203 1609.354738 1590.772636 1434.29674 1827.511662 1817.624584 1988.930476 2362.479826 1397.14624 1464.388221 1414.166752 2150.206757 1494.303678 2219.919853 1280.847808 1840.21483 1111.338874 1755.961205 1560.329301 1675.325764 1881.390508 1611.474946 1404.776724 1450.897794 2055.31225 2012.615236 1892.866591 1982.91231 1674.700555 1364.460221 No_result_found_in_bank_inhouse +M945T48_2 M944.892T0.8_2 944.892036 944.8895639 944.8954279 0.803148718 0.7871 0.806543561 0 165 0 165 [518][M]2- 16 Inf 77.75538728 0 1 1 0.185553903 0.14271104 1 2581.572916 479.0209317 0.185553903 2313.302133 330.1337522 0.14271104 0.769108258 0.966371112 1.83E-14 1508.909926 3071.851709 1562.941783 0.921757144 0.919762651 0.74917679 0.920428816 0.735276384 0.895228214 0.59278131 0.503713383 0.593491865 0.503966699 0.895228214 2698.314917 2151.775102 2154.503484 2469.544843 2331.584384 2264.690289 2415.317024 2867.962434 2846.514458 2989.766431 3247.620888 2906.581899 3165.13657 2416.015452 3039.794124 3199.160605 2507.851096 3056.213726 3000.883884 3019.239041 2218.022253 2066.990013 2252.877209 2634.845888 1974.453055 2577.255765 3240.911288 2394.317217 2635.944249 2120.602306 2373.148749 2747.307184 2205.635162 3089.496295 2481.524091 2929.241925 2359.70625 2211.328413 1985.745143 2358.597284 2594.880531 2503.633724 2678.53105 2854.036743 2824.782229 1603.707824 2553.460535 2246.072614 2738.27796 1824.369455 2356.697229 3024.704322 2181.916244 3533.595866 2388.848188 1832.790883 3026.890276 3188.398635 2211.636135 3489.416275 2143.130481 3087.013882 2605.198677 2114.305914 2263.863737 2683.062336 1658.190012 2289.788841 2892.739176 2655.077492 1677.146546 2330.467671 3421.695484 2596.714989 2247.045511 2652.248187 2348.023439 2588.093332 3703.495037 3598.662841 2621.358592 2910.297166 3306.948868 3263.134017 2486.953338 3248.146991 3150.747779 2920.047898 3115.248114 3130.669747 2918.602642 1955.775275 2565.03248 2291.753762 4663.34414 2260.590736 1976.37796 2564.928824 2584.897223 2865.76278 1722.334622 1517.294941 3226.361135 2904.277064 1950.544041 2244.633135 2861.782058 2648.125231 3003.703141 3066.151984 2146.353012 2503.684527 2663.706123 2328.229857 2546.120875 2710.316883 2207.698992 1963.432854 2152.676661 2603.490903 2732.634299 3438.989209 2339.676415 No_result_found_in_bank_inhouse +M945T48_4 M945.3937T0.8_4 945.3936782 945.3890352 945.3982438 0.804883333 0.7871 0.8232 0 167 0 167 [518][M+1]2- 16 153.4210526 64.02693229 0 1 0 0.213413644 0.180348924 1 1019.499184 217.5750363 0.213413644 957.2345801 172.6362263 0.180348924 0.845067448 0.96053859 1.04E-13 684.6815421 1481.016886 796.3353434 0.489700008 0.491549621 0.858784823 0.484688806 0.860184011 0.828457199 0.862499191 0.495428461 0.86071785 0.488904899 0.828457199 1031.784674 1192.913963 597.8536776 917.9556131 1053.482461 840.2756457 916.955782 1459.189402 1028.307329 1048.64109 1050.577638 859.827597 1201.628432 1044.767992 975.0522412 843.3669336 1247.85915 877.2565348 1323.470581 1200.999273 788.0052304 940.1542014 833.0654805 972.3336286 789.2863741 949.3739478 1454.34803 1480.036403 970.2108696 802.6994121 1224.310642 889.844101 1181.294672 1231.029764 1192.600266 921.7971536 1135.785778 1020.561134 573.5653825 1148.079988 779.4608284 675.855476 1063.70359 942.1309143 1165.552081 685.5382192 1244.362837 914.050959 1071.879673 746.949241 814.9420826 1144.500801 632.7449582 1320.726174 1428.204623 626.1748913 1174.516751 1129.007858 628.4100343 1226.803565 959.5598521 1073.069559 926.6385252 755.2539704 1161.929185 943.0991886 609.9377853 840.6780789 1117.388566 1401.12069 951.4267702 911.146136 1270.375909 1061.523287 1258.53964 1159.802806 1179.065469 949.8570475 1485.332808 1040.894895 961.4964007 732.983661 1043.859791 1323.630997 1011.590211 758.1587933 837.5572876 1205.50153 1276.185555 1263.589845 1291.673125 995.386002 936.2716892 760.095342 1492.110729 861.4769243 720.7093561 902.4316671 962.464675 1041.863169 780.0852457 1029.853445 1542.917885 1380.835201 872.4935793 1077.689319 1253.180409 1069.943125 1298.455864 1202.270304 750.4125988 863.0618099 1289.741396 786.2387486 734.9202096 1246.129719 805.604235 784.3022 1080.825654 1336.814354 908.2413131 1110.610646 1170.643654 No_result_found_in_bank_inhouse +M947T48_2 M946.9316T0.8_2 946.9316442 946.9278557 946.9360271 0.796484583 0.7871 0.806543561 0 268 0 268 [519][M]- 16 Inf 73.42667696 0 1 1 0.224200955 0.145490214 1 1169.202546 262.136327 0.224200955 1096.352758 159.5085974 0.145490214 0.648927719 0.964854478 2.96E-14 754.6729297 1527.194454 772.5215239 0.020198475 0.020365943 0.828852751 0.019941796 0.82588821 0.896173123 0.111202255 0.435753426 0.110982018 0.431223973 0.896173123 1018.091653 1263.973186 1128.613571 997.025404 1282.770343 1150.101255 819.4136944 930.1411353 1476.277169 701.2758835 858.3396216 1308.041796 1097.500261 1682.873267 1149.620048 840.0130436 898.8210291 910.6280942 1621.473669 1136.215372 1160.037143 1040.972262 1662.936679 965.2782457 1315.715791 1553.036477 990.9533621 701.3179449 1434.486141 1148.909054 895.0379414 1162.778174 1603.225272 1203.80535 977.745144 1361.707619 974.030276 1281.213583 1086.251036 1095.663705 1119.955852 1429.770393 1637.851442 1440.386623 1336.309043 953.17689 1373.970111 1359.666705 1692.745878 1181.379736 993.3690703 977.512331 1329.505891 1302.95477 1130.654327 940.493079 1094.769999 1648.197469 941.81577 1145.312434 847.715271 1385.142993 985.9105144 1281.028519 1134.574742 905.1631739 1188.631022 989.7450942 1136.416328 1252.171151 1079.544104 1339.674788 1146.343641 1381.851354 1092.164301 1022.892725 904.944982 1130.087311 1156.479258 984.9233975 1703.3422 1134.325931 1065.240441 1287.225553 1064.317576 817.9610304 682.2984709 926.3980284 1105.354794 1207.068861 1391.018461 1368.619201 1501.189492 786.9314006 972.7903583 921.1133526 547.4139915 867.4357954 1080.614817 916.1825726 945.0524795 758.0001125 1350.19626 1078.401069 1101.849135 1156.039272 1320.529947 1353.281696 1115.203899 958.3873498 1087.300692 1208.535842 1032.767723 662.655045 1371.346584 1403.229148 1245.628214 1012.67111 592.6624544 1169.801679 1201.387407 967.7646284 1367.117746 No_result_found_in_bank_inhouse +M948T48 M947.9352T0.8 947.935184 947.9301407 947.9429664 0.804225 0.787083333 0.806865104 0 106 0 106 [519][M+1]- 477 Inf 61.04755851 0 1 0 0.272825462 0.191832508 1 293.1653481 79.98297165 0.272825462 286.7447396 55.00696244 0.191832508 0.703132713 0.888547557 6.73E-09 184.587367 451.7006515 267.1132845 0.22305234 0.220311068 0.828852751 0.221416653 0.82588821 0.896173123 0.448317409 0.54355829 0.448648926 0.546038455 0.896173123 273.3289135 295.3492582 282.193622 268.2148061 317.6015995 278.4337606 282.2001473 252.8675155 569.457645 205.3284226 195.213722 293.326318 226.5692939 404.5880249 198.2481322 208.3628328 304.7344779 183.0760813 319.1303117 293.9207283 315.5044581 243.7642891 457.4785659 191.3872144 298.695286 323.0680592 260.959276 278.1465195 348.9571715 356.0374619 229.4133236 360.0833421 386.3815638 320.858921 292.4392916 419.7600758 242.7528149 303.4410187 175.3294926 219.6088989 273.0969168 281.1886773 370.0891863 263.9936862 263.6910064 289.2804378 320.0799603 237.6954646 285.2345575 238.7213212 193.6361303 253.857329 321.6322109 325.69336 339.8539409 234.7654069 301.4180785 522.9300222 171.9499106 416.7256656 202.2940124 418.2362578 255.9019257 253.8789856 244.775755 346.9342313 209.3822361 208.8751269 282.2001473 247.1540083 330.5394714 260.959276 309.509839 324.2502141 213.7787819 222.2527596 226.9391256 168.0051232 446.0582974 329.7392403 366.1521625 392.4503841 251.180135 446.0582974 313.3423292 211.397243 209.3743029 175.9957908 349.9686415 401.7126348 340.913462 346.9342313 273.5250674 220.5004736 321.6474798 213.5541548 254.9695031 212.4087131 200.2710723 290.2919078 317.0848466 133.199089 332.1970532 255.9866184 291.8307173 262.9822162 356.0305882 251.8560455 315.5786594 240.7087921 335.8080606 441.1682127 217.4660634 201.2825424 298.3836683 280.9412019 339.8539409 315.5786594 232.7643859 236.5004865 240.7298748 194.2022519 244.775755 No_result_found_in_bank_inhouse +M953T48_1 M952.8793T0.8_1 952.8793302 952.8731079 952.8825752 0.8049 0.787083333 0.8232 0 173 0 173 16 Inf 74.97185051 0 1 1 0.198887948 0.137883998 1 1130.852686 224.91297 0.198887948 1017.337267 140.27453 0.137883998 0.69327478 0.921477154 1.67E-10 611.9520341 1384.220217 772.2681832 0.558521124 0.549625314 0.745030178 0.54588624 0.708600713 0.860152552 0.178170446 0.909690386 0.173047749 0.908172131 0.860152552 1328.39752 1051.343986 803.0415383 915.8968824 966.6640792 938.1056438 1442.390102 1239.587901 1206.609821 1170.295636 1144.894725 1260.31455 1410.022516 1264.97477 1185.308157 1479.440806 1314.30419 1075.371211 1154.106448 1140.681347 1056.339193 845.5926043 1169.641784 1120.741781 969.6565694 723.9767798 1273.695913 1092.881252 1177.860969 1054.743735 942.8216362 990.40657 1218.732969 1263.230195 1232.205348 891.2184649 1096.734167 1122.321707 721.8723521 964.2391453 884.844747 975.7852068 1089.252615 1292.385814 1209.407886 851.0357802 1297.186751 910.1943378 971.6522226 664.5301044 1319.23018 1363.635282 745.1857491 1263.301885 1078.358139 938.630868 1415.136021 1139.616212 1174.328991 1038.886979 847.9199735 1573.630925 1514.108417 848.1262242 1252.798719 1143.777861 751.5085153 955.9674175 917.2356651 1367.616839 1491.467116 1230.746278 975.7918334 932.2511064 1153.069366 1170.422008 969.6425581 1552.220087 1378.07472 1655.487646 1237.181505 829.081998 1402.992395 1190.156207 1313.966045 944.6407195 935.9553926 1737.560778 1630.550982 1511.011382 1709.616577 1047.041752 1106.371603 1095.550248 1546.706233 858.2126404 1066.391223 1001.974989 1015.96915 829.8655474 1424.273421 971.2347086 1560.64582 1285.795262 968.1522218 1202.760801 1331.441523 1125.707525 759.4116663 1036.32849 1128.592947 1178.349221 1087.049607 984.9240596 1370.779847 1022.659266 878.6851273 880.3445691 904.9100906 1541.967473 1144.981835 1248.332833 1561.404527 No_result_found_in_bank_inhouse +M953T48_2 M953.3813T0.81_2 953.3813071 953.3760257 953.3863378 0.80575 0.787083333 0.8232 0 131 0 131 [M-H+NH3]- 937.359 16 Inf 66.71963081 0 1 1 0.253759185 0.194977432 1 511.3382125 129.7567682 0.253759185 471.5758537 91.94664904 0.194977432 0.768356156 0.852787598 1.21E-07 271.3408957 721.7773115 450.4364158 0.827702065 0.828418633 0.828852751 0.820989134 0.82588821 0.302652879 0.628202208 0.956161981 0.608121603 0.954444196 0.302652879 348.9418295 523.7642292 433.4138425 449.9951982 485.5947579 401.1498742 529.0491818 612.7925686 394.6792968 308.4438259 316.9578287 528.0255105 615.0860684 389.9034375 505.9751158 793.9072073 426.9999223 702.6441959 514.6713485 396.3170727 377.7183569 334.4531207 563.3967339 545.0892103 331.819442 401.965043 618.7172468 442.4221473 481.2019835 537.0814271 439.084682 611.5121774 552.1482493 354.4743835 459.6003109 470.6747983 556.7672115 502.8104017 437.3530881 402.1948787 227.7573618 630.9448539 450.7712149 726.2051692 572.642463 516.725913 425.0511477 387.8269017 596.5199133 316.6593012 578.0548655 440.0218088 226.709801 755.6042013 488.8018239 336.7491855 419.696488 471.9906418 380.219601 546.0718677 468.3552795 489.143974 455.3335648 461.3359065 514.7165526 266.2005347 287.1768234 495.2135884 655.1557132 649.0883145 479.3251509 321.1101895 645.7496036 380.6918734 635.2943426 390.9910447 486.4406992 439.4850691 614.1751771 827.3482427 553.2431381 595.8101582 388.9402435 410.9468078 601.2906106 626.7496253 710.9000489 656.8770358 619.5503531 560.8765108 706.5146762 633.268181 514.7846889 573.2306522 768.2325977 416.1142258 283.3701765 533.0288724 578.5797588 767.5867026 497.0134822 350.7519651 626.0493752 504.6787014 303.5840002 562.0477472 561.4291554 484.4614197 553.197398 706.5201781 544.3874714 408.706366 561.2880154 481.2239689 519.4929333 319.4055377 631.0079026 362.8660128 343.5850921 643.4876699 570.9146693 550.7445557 702.572053 No_result_found_in_bank_inhouse +M954T48 M953.8793T0.81 953.8792769 953.8719201 953.8843519 0.805766667 0.788733333 0.821916667 0 93 0 93 16 Inf 66.84420051 0 1 1 0.256049738 0.204375839 1 382.4850502 97.93519679 0.256049738 338.875493 69.25796336 0.204375839 0.798188045 0.889791624 5.98E-09 214.9170595 501.1866684 286.2696088 0.565875109 0.56523348 0.858784823 0.568045662 0.860912571 0.981739117 0.639781915 0.825522489 0.642958223 0.826905887 0.981739117 409.5535057 498.5823904 335.6053646 288.0910782 210.7948489 363.7504194 339.5659195 461.9188287 385.9544462 204.5700615 390.762506 424.9862831 391.1879274 470.2865872 357.0683433 366.931383 451.0667274 250.5231512 445.5786503 398.6698364 306.9478259 392.3174541 503.4293837 350.0428262 293.0803165 251.9713546 374.8417831 435.7682975 405.8318425 313.300024 357.5176491 252.7449416 367.6212499 507.7889933 344.0061301 432.0581285 320.1105518 438.3933013 268.2548728 394.1840346 342.0949955 233.7659288 259.9402322 331.3594431 360.3628805 298.4869649 383.6131603 367.6280557 390.3996512 392.5412396 394.3076998 462.1414914 298.6547585 433.8633997 477.0442403 486.6730539 289.9456427 372.756926 302.9099161 285.9278639 340.9346535 577.2211086 363.2438187 286.1637632 475.4042229 253.9425798 323.2712028 276.9897191 297.5051688 424.0242375 398.4463691 415.9994398 283.4496509 390.6084917 497.8077304 352.7922939 404.3453887 480.799606 474.3646083 545.7991945 307.383623 288.6658438 406.9943032 320.771229 408.6470725 495.0424095 682.2335195 350.8771441 481.2934734 494.9184425 371.9535511 377.5375104 321.1224716 240.5893884 470.6031632 435.8405367 386.5954564 210.7339592 457.8505912 326.0650604 406.5504845 329.7818776 510.5486233 387.7031332 464.1050021 367.241726 398.6030308 263.1877151 407.8758923 256.7164929 464.7077243 435.1547885 216.5862961 271.4530871 328.8151488 355.7182817 300.4002844 530.9456616 299.4476656 538.5237027 425.6705512 262.9773119 514.5341003 No_result_found_in_bank_inhouse +M960T48_1 M959.8203T0.81_1 959.8202639 959.8137377 959.8240977 0.805883333 0.787083333 0.823266667 0 220 0 220 [526][M]2- 16 Inf 67.63676385 0 1 1 0.21818543 0.212725477 1 772.3514261 168.5158283 0.21818543 688.0941295 146.3751518 0.212725477 0.974975627 0.773757433 9.20E-06 382.3361825 1111.198907 728.8627247 0.819778203 0.821245135 0.907981747 0.819157897 0.905542086 0.896173123 0.853760516 0.838977714 0.854180076 0.839627925 0.896173123 578.4035828 1383.780092 594.3354553 697.9776444 951.0248698 638.3440932 695.1780614 819.9983919 824.7064623 886.224189 810.5438422 1175.022917 670.1187499 865.196784 921.8301771 832.5058147 800.8364336 498.409754 795.448416 734.5870907 683.4414785 799.4983593 820.1506532 676.9296464 1010.796184 1068.561506 840.127664 669.7146663 1169.457681 831.3874907 917.1622808 989.2854369 575.4125425 699.7198721 766.5283421 592.0940785 589.7127328 908.6336125 710.0533019 777.8261619 1141.283012 711.5861723 779.1763889 610.5983673 877.4104235 771.8153641 767.1164058 1033.657555 1012.857739 1018.893216 648.4486864 930.738713 1076.803863 674.9592104 1326.407492 798.4175181 841.3110869 929.0658707 827.9190065 690.2918431 798.1381391 582.5437505 755.0970039 728.7911227 974.9085997 753.0134753 707.8926907 727.5844381 822.2665087 632.2861293 458.8355388 468.2957587 539.0828365 670.2388515 697.2326581 939.7734517 881.726861 874.3279011 956.2038384 701.369586 823.8377423 742.4903957 641.6143417 543.9869381 746.4304299 575.1123096 791.3592151 604.8587401 645.3175892 777.0257917 412.9043302 722.8149476 872.8309098 535.2222331 610.2327573 957.062467 899.2485693 638.1926245 973.9847846 810.1310673 863.0382647 541.7981718 796.7746617 709.7119292 737.7851407 1065.557342 837.637945 851.0151745 988.3860757 497.932434 610.4481993 937.0561096 865.6365344 647.8180349 687.2238446 858.5465413 691.6914655 922.0020875 798.7532674 686.1148022 700.2730634 816.9601404 672.5212021 No_result_found_in_bank_inhouse +M961T48_2 M960.9473T0.8_2 960.9472752 960.9440542 960.9511712 0.798007855 0.7871 0.806543561 0 284 0 284 [529][M]- [M+Cl+NaCOOH]- 857.981 16 Inf 77.62160097 0 1 1 0.200609414 0.129643241 1 2567.791547 515.123157 0.200609414 2338.512209 303.172303 0.129643241 0.646247048 0.954564493 4.75E-13 1641.845321 3188.017072 1546.17175 0.070661611 0.070022797 0.828852751 0.063670639 0.82588821 0.591051927 0.261037912 0.474371416 0.24319499 0.46433343 0.591051927 2522.407825 2861.098043 2417.981274 2056.547415 2803.077718 2237.842965 2928.403111 2560.398271 2407.419562 2305.671793 2610.625894 2553.577193 3374.253501 2814.818276 2711.101727 3208.882302 2883.059108 2426.068058 2798.666629 2292.785988 2059.346404 1835.259622 2665.029198 1912.814033 2335.515852 2171.156045 2522.478432 2181.336456 3047.955774 2291.880854 2728.172469 2155.730979 2553.845695 2671.00116 2586.188122 2243.659391 3171.639849 2983.42145 1753.943595 2100.111058 1986.043576 2294.486377 2955.995028 3656.402912 3027.154443 2077.177122 2826.113896 2404.052268 2546.85256 1971.782144 2561.038519 2920.396846 1973.925202 4320.055966 2814.921997 1799.780244 2847.420893 2605.924931 1868.521934 3497.708582 2361.187031 2971.028563 2602.357757 2577.469947 2435.76251 2134.589545 1731.202412 2160.23338 2570.441245 3008.23255 2487.151668 2210.5779 3451.940188 2372.270084 2424.303866 2702.180832 2751.402526 2496.670839 3276.053011 3825.833752 2824.485326 2656.660008 2043.487558 3281.286083 2293.243921 2242.35891 2565.92437 3060.663543 3681.593556 2820.71965 2881.799645 2445.747743 2884.190852 1883.750883 3721.396894 2472.173574 1866.647073 2302.000015 2676.366065 2876.795248 1993.989877 2187.76585 3020.45714 3087.40447 1795.780758 2370.251012 2932.503204 2961.863262 2305.845975 2328.867979 2502.727305 2520.692698 2728.864615 2017.471103 1517.036794 3487.286497 2146.330097 2214.460504 1995.298976 3002.53052 3205.202341 2464.139218 3051.604482 No_result_found_in_bank_inhouse +M962T48 M961.9507T0.8 961.9507473 961.94444 961.9545067 0.80415 0.787083333 0.821916667 0 207 0 207 [529][M+1]- 16 Inf 70.77406601 0 0 1 0.229278304 0.174911384 1 605.2938264 138.7807419 0.229278304 568.8569023 99.49954824 0.174911384 0.762878045 0.960229194 1.13E-13 356.0705659 809.4457007 453.3751349 0.981594066 0.982039341 0.946954697 0.980500989 0.94468685 0.485621212 0.944293216 0.999878042 0.936997878 0.999878616 0.485621212 567.8628112 615.0158003 452.0112009 442.5151672 453.4118849 457.7088211 921.1863915 509.6938835 538.9239232 588.1799143 465.1056123 767.9474478 760.1755665 551.0188958 639.1785399 669.0085673 752.0858636 713.6083534 522.2818497 528.9290733 405.4806361 405.4806361 506.1385926 459.6080278 588.7540852 508.0377993 666.7885782 595.4013087 683.8196273 495.828392 396.9342058 404.3923721 599.2655178 508.0377993 611.5445659 827.6361758 523.6436427 418.2728504 429.2207202 507.0881959 738.7284764 606.1616095 537.4755036 742.2917747 591.6028953 416.3749912 560.2659843 618.1897048 654.4554768 453.9104076 579.2580515 612.4941693 422.5734966 1060.259323 691.6110335 543.1731237 573.8171214 606.9909647 546.2823961 656.7414908 490.7237338 553.6187607 637.6139869 951.4252824 434.3358086 504.8609651 521.3322464 449.1623908 578.8818418 732.144193 498.5417657 489.2881837 807.0230229 509.937006 602.9981356 558.3667776 443.4647706 481.4489051 888.1410499 567.4896758 407.7459901 548.4275147 678.9664047 718.8730903 639.0830634 634.9569957 831.7974511 809.4986969 679.9950343 683.7144215 798.6164284 768.3616091 737.8418132 535.9079242 716.6593257 407.3798428 587.8044818 488.5026058 595.9793473 702.2794074 485.2473186 476.7008883 1046.462906 741.6402266 398.8334125 499.6976482 556.4675708 636.4089181 616.9059212 595.4013087 554.592821 486.1969219 653.8268741 514.548173 515.4912436 898.3247816 542.4936246 426.7094172 605.8469457 721.698556 856.1163902 707.5232025 804.3674433 No_result_found_in_bank_inhouse +M963T48_1 M962.8294T0.81_1 962.8293567 962.8277023 962.8307797 0.805925 0.78875 0.823266667 0 122 0 122 16 Inf 189.3221704 0 0 0 0.07133042 0.040993426 1 32805.00062 2339.994457 0.07133042 32278.64373 1323.212186 0.040993426 0.574697668 0.737327348 3.95E-05 29636.11314 35751.97467 6115.861527 0.508063507 0.504619142 0.81438186 0.508133379 0.814503953 0.926511606 0.740632195 0.406354191 0.742666323 0.414892917 0.926511606 35150.91492 32596.87089 35864.52091 35045.64539 31323.53205 30956.32882 33322.05044 34203.1285 34837.78633 31406.00739 35320.56883 33562.43589 35089.23555 33851.09959 37946.70447 33733.42136 30366.2121 32577.76075 29978.53679 33636.65314 30796.40011 37368.66061 27580.61824 34330.01499 28035.09922 33834.03352 34750.282 33566.81086 30579.24236 32295.13183 32564.72586 35662.53976 32266.96952 30762.99727 31553.53099 30841.75535 34032.14303 37447.82922 37124.71871 30476.54267 34096.51403 31847.55222 31871.36401 35298.4413 32113.2815 34073.3807 34822.95983 38279.62323 32338.3811 32884.58329 36725.90912 27766.86435 28831.70618 33388.43303 34578.29073 33357.28399 31050.9611 32287.08545 32882.5172 30946.35822 30960.43938 32925.07157 29567.41071 34046.22419 31374.82769 31293.35814 33836.05794 35561.87099 35996.46433 33631.59211 25700.94972 31472.38999 29988.8396 37822.12938 31327.80882 29650.5817 32955.43779 34637.72594 31638.34647 31910.91742 26938.25768 35724.89917 36442.49114 33905.41263 31756.98462 30659.70611 33874.23292 32190.52896 32923.75488 34465.65073 32825.87528 31245.07989 32044.45142 27777.09227 32726.61869 31891.60816 34308.75864 34139.7633 33464.87359 35505.63545 27589.72811 32962.52324 33219.62383 32077.85426 30900.65743 32233.77822 31466.48119 35645.44122 34044.21259 34275.35581 32287.08545 33713.58088 31627.28271 32643.13755 35194.84422 33030.34111 30609.41627 34278.56327 30886.48654 32947.34013 29725.32082 35103.3167 32288.09125 No_result_found_in_bank_inhouse +M963T48_2 M962.9519T0.8_2 962.9519022 962.9450457 962.9596453 0.804566667 0.788733333 0.823266667 0 91 0 91 [529][M+2]- 479 Inf 81.89090857 0 1 1 0.207871415 0.160331813 1 325.2761801 67.6156199 0.207871415 296.7824722 47.58367188 0.160331813 0.771302841 0.858142296 8.25E-08 167.8768966 409.2362333 241.3593368 0.346494148 0.347176645 0.858784823 0.35226544 0.860912571 0.94309074 0.764042473 0.465564211 0.767698266 0.46433343 0.94309074 253.9523078 343.7300602 358.6279554 333.1834457 327.7494719 360.591197 282.911035 317.9775233 321.5647917 305.9243422 282.4219805 357.6910109 447.9900584 347.6109059 331.4355499 316.4958812 426.3658136 358.5359806 253.9961448 328.0731964 285.964985 300.72652 374.6174069 268.9955352 402.9609405 244.4640999 322.2023647 227.473172 290.9526477 236.7724264 296.1649576 257.5976743 274.8430379 219.4344965 328.2123821 244.2921352 321.7086369 260.0736311 287.5005044 252.3625245 385.7501216 246.6006008 387.1967083 234.3390361 308.0685195 181.7355528 390.491505 229.2931455 353.6244656 310.6559403 242.8298383 320.7007828 350.1394967 393.6648883 332.1775316 360.2807137 333.4627815 387.4419577 285.3356435 540.8759417 204.0494987 368.4158049 270.7443883 302.2399759 312.8511357 246.8023095 360.367113 382.3676882 263.0657184 349.3885567 287.0182952 277.8283469 336.074305 301.2654144 221.8926617 263.400039 392.0235181 295.0799547 337.9688855 335.908051 212.8094021 275.3817094 418.8676816 343.499296 325.1715329 320.0597135 337.3120898 341.9970471 401.3273277 320.0921354 295.6644603 401.1039345 445.2526152 190.794948 317.2179457 237.2568017 287.6425555 256.8102008 345.2353245 243.324569 424.70245 180.3250484 327.5997464 339.5519214 297.2036293 299.7332159 406.8608708 495.5723036 424.2106128 250.7378915 291.1506346 305.7461159 242.5707401 364.2594021 313.5178499 271.4431357 181.2947742 272.710823 340.7630465 267.2088602 351.6916587 347.6649174 201.0699957 No_result_found_in_bank_inhouse +M963T48_3 M963.3312T0.81_3 963.3311626 963.3291613 963.3327751 0.805958333 0.78875 0.823266667 0 126 0 126 16 Inf 180.6974044 0 1 0 0.079323861 0.051054883 1 11248.96492 892.3113277 0.079323861 11260.82002 574.9198437 0.051054883 0.64362579 0.700184773 0.000139378 9824.790012 12379.11952 2554.329509 0.298272859 0.291254292 0.787240672 0.295258251 0.793198186 0.953173798 0.388566125 0.503713383 0.391724153 0.503966699 0.953173798 11835.46093 11813.31236 12055.00866 11992.78566 11807.26562 11786.87529 12003.78464 12097.50909 12127.74279 10593.88667 11339.65114 11598.65313 11706.48664 11041.34535 12425.04079 12570.16252 10910.25872 11239.87995 9996.508954 11768.66959 10079.01615 12178.79566 9529.135305 12024.93378 9677.934019 12182.04895 11758.89171 12124.90295 10596.91004 11452.5236 11221.68096 11972.54316 11572.45059 10235.55165 11953.97517 11018.16619 11568.41943 12555.04568 11944.09994 9892.415908 11150.18666 11191.50604 11882.13116 11412.21201 11527.7267 13003.51215 11534.57242 13458.02536 11764.93845 11788.5246 13536.3897 10626.17498 10182.04453 12370.62014 11986.65221 10824.49375 10755.13304 12798.93081 11461.59371 10449.77273 11530.12342 9900.389955 10278.44845 13119.40798 11562.3727 11888.8966 11359.8515 12159.56169 12802.96197 11138.49498 9164.661546 10299.61204 10687.61112 12236.48957 10371.42782 10793.86109 10769.13596 12607.387 10619.08142 10510.24012 9695.945934 13802.68948 12045.76539 12753.58027 9135.636263 10911.34047 12040.06507 11557.33375 11099.79716 11014.95265 10690.4329 10854.90424 10965.415 9918.667486 11120.96075 10253.03031 11202.96131 10886.14572 10778.31221 11742.76707 9822.846601 11144.03091 11543.22966 11144.36009 10674.06689 11032.27525 10093.03388 12928.9357 12414.96289 11294.96162 11690.362 11241.85933 11212.66963 10812.57706 12391.78372 11433.65776 11311.43303 11931.22377 10760.03835 11483.92911 11590.59081 11358.79915 11311.43303 No_result_found_in_bank_inhouse +M964T48_1 M963.832T0.81_1 963.8320013 963.8296008 963.8341733 0.805916667 0.78875 0.823266667 0 140 0 140 [M-H+CF3COOH]- 830.841 16 Inf 167.1995309 0 1 1 0.083661765 0.073347363 1 5832.945708 487.9945333 0.083661765 5932.742626 435.1510261 0.073347363 0.87671307 0.727928117 5.54E-05 5079.152974 6883.122595 1803.969621 0.34740157 0.343242505 0.787240672 0.347155647 0.793198186 0.91798044 0.62396837 0.287555438 0.625982701 0.285961257 0.91798044 6423.393002 5674.801876 5811.316975 6168.157374 5556.834129 5330.633696 7051.535968 6328.9137 6403.537122 5697.896825 5998.809351 6059.787995 5711.743868 6071.328832 6552.063389 6252.830612 5548.327211 6634.572796 5640.505238 6035.849635 5491.255621 6914.580589 5193.017701 6934.606964 5038.532198 6300.308584 5699.8879 5729.503592 5140.350595 5954.971164 5837.602681 5746.493171 6159.352731 5543.361273 6817.379609 6102.643692 5648.900347 6016.022484 6256.658741 4866.168095 5458.661098 5811.897589 5889.5125 6078.201854 5557.794106 5958.239682 6099.103838 6436.519419 6147.536427 5320.084783 5769.582254 5033.41657 4951.975435 6508.131085 5255.814798 5868.194974 5536.647166 5335.215396 6614.396812 6384.488726 5558.763769 6088.406305 5598.748227 6482.708018 5789.566024 5594.215986 6002.404863 6277.104255 6742.582194 4840.525185 4984.253762 5908.616173 5471.292566 6189.398501 5794.424247 5390.358324 5971.613573 7527.036702 5689.702769 5554.189377 5130.582596 6732.790347 5885.371684 6056.939831 5185.532039 5788.405387 6324.101054 5981.751435 5886.812381 5420.495156 6108.936539 5020.249912 5878.561516 5888.149633 5504.721819 5872.918955 5697.438259 6347.220222 5333.403152 5759.861077 5105.235794 5617.430262 5694.088489 5797.357309 5674.405522 5358.700667 6095.972239 5963.107988 6440.907669 5725.660363 6195.643371 5885.101392 5830.875081 5941.709723 6747.345449 6006.920492 5430.046048 5613.129092 5353.220664 5979.176525 5447.742708 5729.751261 5648.344763 No_result_found_in_bank_inhouse +M966T50 M966.3052T0.83 966.3051611 966.2999933 966.3115704 0.825718977 0.805630378 0.843702859 0 160 0 160 [M+Cl+NaCOOH]- 863.352 [M-H+NaCOOH]- 899.328 16 Inf 45.17379308 0 1 1 0.323181251 0.281611306 1 1760.798562 569.0570819 0.323181251 1563.333915 440.2525054 0.281611306 0.871372659 0.937387488 1.49E-11 678.0960415 2698.862775 2020.766733 0.653688098 0.658314933 0.955954924 0.653426119 0.955848332 0.765470316 0.966176257 0.703477522 0.967031738 0.701953625 0.765470316 1208.166177 2701.148757 913.2353244 1396.212019 2861.063656 1592.529042 1068.29571 2344.908246 917.0953169 1908.253402 2919.84331 1860.336359 843.3193723 2614.399764 1328.173301 1981.093638 2117.29581 1366.927798 1319.048303 1334.072007 1079.352281 1841.209022 1932.784619 1368.469802 2217.707245 2417.233576 2633.466861 1374.653875 1937.012499 1957.40581 1805.033985 1082.469216 1096.80419 1091.278919 1103.563206 1568.968149 2166.347609 3503.764614 2356.972632 2230.200445 1838.188409 2243.13364 741.2008795 908.7556029 1810.018565 1624.858124 958.1929762 1658.56511 1742.45742 2597.861914 1482.586446 1992.027152 2232.639209 1842.102244 1750.779068 1493.526377 1951.607995 2327.79103 2159.733773 1172.001977 2371.600688 936.7550986 2234.889057 1387.254718 2200.437975 2122.460607 2029.16582 1513.485606 984.2291912 1030.773614 1352.93989 1008.627101 1324.420454 1182.28392 1144.602912 1856.945587 2304.769795 2049.458277 2064.923379 2004.212766 1954.252713 2356.162894 1211.674793 2338.538114 1997.250248 1755.831967 1755.77216 1355.242115 1030.053881 912.6361254 1207.015216 1775.401627 2502.511986 2012.411888 1729.657913 1991.623671 1419.903574 2008.319465 3306.252891 3467.45263 2418.541302 2356.760793 1717.21192 1984.391077 1745.094567 1602.76641 1325.508434 2236.78092 1863.668646 612.4072218 2341.866954 1886.19123 1356.179818 1602.383421 1597.899811 2293.106188 1982.249599 2786.68721 1830.656977 1662.411941 2063.390152 1809.81199 958.9842447 No_result_found_in_bank_inhouse +M972T48_2 M971.8775T0.8_2 971.8775214 971.8716838 971.8818731 0.804791667 0.7871 0.806316667 0 152 0 152 [533][M]2- 16 Inf 68.63455326 0 1 1 0.22975087 0.13287974 1 1238.453248 284.5357106 0.22975087 1111.10876 147.6438432 0.13287974 0.57836447 0.955917203 3.43E-13 786.3670514 1458.556824 672.1897727 0.240859845 0.24354711 0.863706624 0.244547115 0.863226859 0.897437208 0.496153831 0.611067583 0.491323421 0.60997047 0.897437208 1181.358905 999.9046219 1302.365724 1250.853288 1320.342103 1253.071173 771.1943795 1033.242021 1674.947675 1090.758233 964.3624588 1152.735719 1190.30637 1551.041049 1444.420466 762.8868644 743.1355354 1408.117837 1734.251108 1213.189497 1136.689759 1116.076402 1379.179163 1157.290409 1490.850891 1347.024557 1186.542445 678.4491849 1784.613447 1104.966799 1284.38151 1633.621472 1315.03326 1272.651148 968.2967516 1299.687278 1185.576349 1250.99329 1224.129838 850.8035228 1275.455903 1849.788534 1910.01057 1573.204038 1351.696586 1003.595692 1648.843237 951.5525676 1530.523306 1202.285545 1404.949119 963.232266 1138.60368 1196.902102 1204.826883 1168.968526 1573.773848 1453.250666 1093.091439 1768.279948 1145.82585 1119.614632 1210.235691 1056.270911 943.4834602 1503.52837 1167.988232 1237.678465 1063.436101 1749.510764 1085.512083 944.0638972 1610.175767 1360.860821 1132.404574 1104.437818 913.4031031 986.4747094 1470.684873 1112.821462 1572.72036 1732.664639 1325.617961 1358.714393 1326.454566 1020.748618 1105.131862 881.8855613 998.3886798 1434.992228 1444.007212 1051.972529 974.4887872 1157.635585 1051.393054 1019.890074 850.0531645 1362.848205 1281.548604 729.5250968 1231.026349 943.7254676 1115.883926 869.5131275 889.9663815 1013.009902 1747.28793 1449.370002 1561.678927 954.4089444 1000.036847 1376.519239 1453.801299 1305.096183 1293.215295 1253.902874 1170.758602 1020.903708 639.8496608 955.3701791 1033.879721 1010.47234 1207.933079 No_result_found_in_bank_inhouse +M972T48_4 M972.3793T0.8_4 972.3793208 972.3737883 972.3869131 0.80485 0.787383333 0.821134685 0 106 0 106 [533][M+1]2- 16 Inf 68.89998776 0 1 1 0.244416447 0.179739026 1 548.9569831 134.1741156 0.244416447 502.4916949 90.31736779 0.179739026 0.735380241 0.932818408 3.17E-11 333.1204313 754.0582352 420.9378039 0.975939116 0.975977533 0.903136796 0.975955476 0.898770124 0.895228214 0.876629164 0.776961451 0.876467087 0.774092083 0.895228214 644.5559681 713.6615642 429.5251871 505.2016339 500.5499049 587.4592509 451.8958396 454.7663227 632.4875951 370.982208 384.0736057 668.4535092 621.2942228 566.432676 433.1738818 346.263632 447.9030413 602.1824377 830.6603434 437.3404118 548.8020599 462.8993721 565.072378 458.0821634 700.7376038 570.9868114 655.383863 464.6643701 525.5272257 529.742791 342.0778629 586.5002491 568.4190079 499.8514106 559.3741126 696.1073685 287.1627926 462.0614532 353.5458246 452.8361831 765.2362942 800.7236689 759.9680862 489.071518 553.8502935 645.635474 724.5993606 631.2808512 970.2821795 484.3185153 436.6396542 392.4721257 596.1396812 484.2759955 406.1497226 523.2214862 614.1801779 533.6235563 594.8153557 714.8884497 389.879865 569.4958229 634.032491 630.1085735 526.540498 506.6834083 526.4232812 592.116611 397.1980137 836.6750825 321.6024245 623.1699862 563.9447862 699.2478033 521.7853107 379.6709747 436.3637215 426.9184137 780.0183827 659.5895483 580.2382462 716.2154044 549.9711035 582.95722 544.2521288 417.8051057 278.52265 612.9010248 442.4306178 720.4377785 487.2558505 492.8710099 576.6879885 576.7104821 431.0049103 371.0167909 350.3701294 464.2266542 363.3137717 445.5465327 388.9044088 431.5390522 455.9799342 450.3485281 492.8812708 497.4345952 513.1593356 594.3144663 747.3597256 589.7894539 558.2411929 425.0472602 711.8766352 353.8182714 713.6740304 413.0444933 419.097537 440.6033442 378.3134907 364.0335951 628.8137399 494.4156403 381.1381838 No_result_found_in_bank_inhouse +M974T49_1 M973.7923T0.82_1 973.7922788 973.7883082 973.7970921 0.821748825 0.80485 0.840149929 0 70 0 70 16 Inf 54.54320958 0 1 0 0.279256074 0.218142248 1 1517.80908 423.8574044 0.279256074 1434.223405 312.8647185 0.218142248 0.781154893 0.893397411 4.22E-09 688.5084156 2338.040643 1649.532228 0.103005564 0.094545789 0.745030178 0.085422377 0.707953862 0.469878539 0.295809092 0.140155645 0.266643465 0.129168554 0.469878539 870.583583 1788.213943 1040.357247 818.8101548 2117.159412 1770.202171 1118.609814 1473.909964 820.8995231 1457.316276 1771.620255 1517.834433 1381.180529 1388.013225 1203.530454 1559.806704 1091.05081 1360.682444 1914.840883 1816.502394 2215.850869 787.4158754 1596.979456 1400.532673 2166.968933 1329.579151 1419.248403 1842.982433 1366.53904 1612.516067 1632.96361 1454.387978 834.5649135 1688.433069 1482.549862 1719.886991 1506.121242 1173.271375 1020.007794 1667.407751 1324.566769 1941.461536 1900.396619 970.2427181 1561.366218 694.0066123 859.1454539 899.9635675 1462.196772 1416.64208 1939.388981 878.2414833 2199.588578 1097.135629 1256.239817 2135.336879 1728.671885 1496.360248 1300.164286 1361.658543 1729.647984 1369.796204 2286.024593 937.0553414 1992.2187 1774.548553 1262.019204 1329.289992 1182.056269 1462.20836 3165.280092 1889.728272 1850.684299 1326.133148 1649.015071 1569.581893 1662.267836 1955.622117 1562.735002 1478.790461 1930.724443 1490.503652 697.230052 1503.192944 2222.394084 1838.971108 1224.02854 1034.665273 1182.056269 1802.210644 1646.865108 1378.252231 1351.28615 1614.468265 1235.741732 1803.694355 1311.086226 1637.894649 1618.372663 1323.59067 2305.478238 1347.753819 1411.644095 1466.321787 1756.220524 1402.654714 2045.638889 1285.522797 1564.6872 974.5339102 1829.210114 1151.776269 1047.354564 1388.013225 1372.395635 1447.651351 1523.691029 2391.443319 1298.638599 1341.001157 1472.933865 1440.722587 1240.622228 No_result_found_in_bank_inhouse +M974T48 M974.1613T0.81 974.1613428 974.1572503 974.167085 0.805891667 0.7871 0.823116456 0 96 0 96 16 Inf 81.76763013 0 1 1 0.208375399 0.151171887 1 599.9275122 125.0101348 0.208375399 621.3805458 93.93526956 0.151171887 0.725478571 0.752541411 2.21E-05 441.1235671 875.2430005 434.1194334 0.770912247 0.764272287 0.715391897 0.76414291 0.695696123 0.922205661 0.356576048 0.336576591 0.362475693 0.339363007 0.922205661 656.1681765 568.3792431 618.6905451 663.8571076 380.7548011 383.6814967 609.8026477 573.5039375 790.1198031 461.8826684 555.5506725 638.500544 716.6085003 721.8690135 792.4231634 563.0313541 389.1163618 627.1547289 423.8842357 757.1044907 476.7801477 706.2647588 602.7043925 711.809248 526.8974993 552.249019 673.4216325 535.742169 498.8175565 536.0533049 536.1426978 796.3587354 558.5875215 889.3890555 554.8721135 619.434301 837.7033525 500.2219081 888.918101 521.562912 513.249555 380.4661252 493.2032128 632.8161587 670.9280059 661.1730902 683.192478 767.3200424 693.4032263 808.8060837 975.4091478 592.6252763 565.152786 852.1948091 718.8589244 658.5424846 649.2193465 524.279347 504.5190621 654.3390351 452.1990049 586.7560538 446.3087848 761.0035468 615.6212022 488.3680356 731.8792494 649.5540781 540.2380398 588.3827624 520.2175772 574.2353323 553.658595 632.3612575 945.7579489 704.5991066 553.3249886 622.0196862 419.9908812 638.5152302 357.2467467 482.4656677 703.3391629 683.4730716 347.1180149 607.8106345 644.9200511 654.0042049 598.757005 482.3016561 594.5979506 477.5116242 614.551121 634.4139181 646.0577295 648.8537063 509.3589465 654.9804846 572.6900357 781.7327954 466.2796758 523.4445913 662.7675972 509.3909475 435.1510393 614.6490882 464.6420037 838.8120004 766.1960328 615.982606 597.354974 472.9637129 609.1864915 520.1672284 763.645572 776.6307427 430.0778352 480.6284105 617.3918155 644.2597334 537.5760086 843.4975966 600.2019027 No_result_found_in_bank_inhouse +M977T48 M976.9214T0.8 976.9214376 976.9171848 976.9278176 0.804833333 0.787083333 0.823266667 0 207 0 207 [M-H]- 977.923 16 Inf 72.28190367 0 1 1 0.23938391 0.12720279 1 505.5788143 121.0274334 0.23938391 468.9905717 59.65690904 0.12720279 0.531375687 0.822479849 8.15E-07 370.7747016 635.5901602 264.8154586 0.443631735 0.437791455 0.715391897 0.438188337 0.695696123 0.896173123 0.158610226 0.669417015 0.160586439 0.6695078 0.896173123 563.4520521 508.0580888 422.7272396 548.792385 322.8577558 402.7356621 293.1012263 607.8846937 543.6746878 526.1377433 360.0128923 685.1609001 508.024373 493.925748 457.2844735 705.4944625 653.1152133 542.029744 582.6394986 337.537481 490.994917 266.4483995 496.595714 472.7497429 397.2955037 350.6368553 502.6553392 728.3178073 668.9413565 441.5039638 447.8021582 377.5311051 448.3244889 676.5820864 444.2487457 592.3671253 543.2330263 411.7295134 346.0793133 507.4424391 396.7226543 406.9512079 537.1391074 599.4261201 429.1870756 368.7618362 446.7057817 251.521702 434.6576251 382.1229183 405.5500191 533.8272295 483.4365371 621.3485936 651.9953301 458.1606212 546.7598025 516.6870544 273.3232118 533.8881012 327.2699698 504.3793623 509.1348844 516.8055136 422.823994 395.8654552 382.8524615 484.8886625 422.1173657 570.2156655 773.0183902 549.9124161 448.2990574 676.521425 552.5855613 560.0662377 605.8697459 494.4988456 667.0047201 670.3255124 644.8607014 384.2231976 460.2159372 431.6616827 404.0883971 445.4799229 361.1990482 416.6438106 743.5337021 712.7901602 481.1129136 856.4497291 425.4277955 440.8270159 600.6395375 538.8676465 405.2082289 257.4110124 732.8391244 601.2928981 472.9577888 421.0152349 950.7180361 597.6948267 300.3521599 551.463084 764.2947753 539.5139639 348.7084886 460.3100325 354.5044429 546.7528673 596.6912775 451.9060629 341.5371973 451.0351228 374.2873109 551.5055175 504.3398171 600.8263761 572.9442896 524.7850862 725.5033312 No_result_found_in_bank_inhouse +M979T48_1 M978.8859T0.8_1 978.8858884 978.8816 978.8889883 0.804583333 0.7871 0.82305 0 156 0 156 [538][M]2- 16 369.2711595 76.27005774 0 1 1 0.173827453 0.134137297 1 2669.25552 463.9898896 0.173827453 2369.773288 317.8749827 0.134137297 0.771669228 0.969560901 6.22E-15 1816.027641 3057.472517 1241.444876 0.975939116 0.975977533 0.81438186 0.975955476 0.810685871 0.843428085 0.639781915 0.699823706 0.641668761 0.697507398 0.843428085 2638.001863 2209.97466 2902.191745 2467.323121 2287.625207 2112.438284 3011.680765 2574.278154 2931.409442 3249.124622 2578.548791 2758.379221 3442.989381 2687.303426 2265.433128 3125.231431 2750.619416 2853.002483 2614.520418 2432.486017 1685.00079 2043.789617 2292.831301 2468.0286 1779.317518 2996.412736 3300.252649 3103.521974 2477.240893 1991.801461 2145.222644 2199.365843 2429.414845 2728.306236 2890.313254 2746.422475 2506.059306 2196.621264 1901.449791 2503.880108 2306.253434 2602.113918 2823.896321 3046.794213 3250.249823 1937.503105 2207.715414 2315.893659 2838.808044 1982.144255 2880.212696 2659.412243 2385.02547 3369.644056 2773.940535 1912.467375 3433.439698 3516.311041 3297.130158 3775.52496 2660.317164 2761.211777 2559.922981 2318.164758 1933.36463 2555.270853 1936.950217 2203.600352 2458.320702 3274.544681 2241.197587 2281.60106 3182.186728 2539.751877 2636.64879 2335.186157 2773.377143 2596.64286 3003.427234 3383.729366 2221.442446 3319.077694 2838.594767 3036.358973 2805.226964 2551.540252 2790.917963 2671.788447 3311.039016 3750.04315 3568.978344 2379.27228 3016.557162 2471.331588 4054.91238 2644.124662 2179.697365 2166.376944 2818.843403 2614.601976 2316.207044 2031.554983 3759.363872 2955.959184 2297.816232 3161.396799 2920.64066 2349.14532 2535.468823 3176.317256 2728.55989 2410.18834 3279.569763 2675.992468 2560.960907 3197.724964 2207.669019 2301.876935 2529.827905 2921.465253 2336.019517 2627.382511 2969.052199 No_result_found_in_bank_inhouse +M979T48_3 M979.3876T0.8_3 979.3876272 979.3829227 979.3911785 0.804791667 0.787083333 0.821916667 0 180 0 180 [538][M+1]2- 16 Inf 72.31840588 0 1 1 0.199579155 0.147664805 1 1124.08392 224.3437189 0.199579155 987.3899672 145.8027472 0.147664805 0.739880902 0.941889363 6.71E-12 730.1920578 1384.986296 654.7942382 0.800950374 0.804513848 0.89678764 0.79954829 0.887136469 0.537439551 0.853760516 0.714738596 0.845821483 0.701953625 0.537439551 1139.017709 986.2092063 1126.451942 1379.197455 804.9811388 1257.591787 1325.856468 1111.557358 1114.65594 1142.382648 1043.008954 1232.755515 1354.065292 1084.789443 1115.191555 1274.487804 973.9824724 1374.400348 1312.893986 1076.973517 694.9190902 912.0165009 874.0228104 1135.331685 1013.41776 813.8718581 1265.500145 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1209.348978 1100.389511 1055.19441 1874.156553 1181.49702 1079.254383 1257.084083 No_result_found_in_bank_inhouse +M987T48_2 M987.3745T0.8_2 987.374464 987.3686899 987.3794802 0.804925 0.78885 0.823266667 0 128 0 128 [M-H+NaCOOH]- 920.395 16 Inf 68.47807629 0 1 1 0.231888692 0.197163364 1 564.3918708 130.8760925 0.231888692 505.4557486 99.65735571 0.197163364 0.850250017 0.827329826 6.16E-07 259.9863488 735.6520002 475.6656514 0.877620082 0.877738614 0.903553864 0.87594468 0.904127599 0.896173123 0.764042473 0.989714906 0.764324576 0.98888698 0.896173123 444.7310209 559.2878483 416.963363 502.90029 427.8644516 347.8664753 556.517229 716.9761809 541.3453396 476.4243647 426.5265077 585.181941 552.4885043 731.3675632 613.3731947 479.64387 627.4205017 555.708495 436.4262608 725.6783942 487.1888609 429.6645887 466.8918368 608.4909673 530.2022022 605.4798865 625.1195506 433.6354503 725.0642183 408.7278736 524.5400829 416.797769 445.325419 476.305542 514.9012795 658.2949179 540.6075879 562.6278496 579.4173564 394.5912233 387.8710479 519.1874607 659.7740404 662.6850189 797.5219768 371.9474383 497.7518671 428.5261929 671.6563547 372.3812401 291.7054942 672.8574624 551.9447432 769.7127751 635.4623619 520.7148764 657.2317995 657.6770824 507.1921202 466.3987236 474.9714619 558.1462706 656.0893483 625.0788066 743.4486321 392.9886567 464.4075849 452.8796649 390.4768557 889.9533334 766.3686509 549.1789915 685.6135062 543.9936902 641.4492926 564.2368232 509.6388718 679.3542677 1047.766782 722.1906262 546.629941 636.1732066 635.9327255 617.2041129 647.7037733 488.4650209 389.6596354 700.3211854 726.3124694 456.9210451 682.7224402 720.2997083 553.818136 525.5956767 891.0377112 407.0706841 571.2755779 393.1636035 607.2690177 451.1061365 589.8332922 437.9325944 766.6321994 787.7639001 560.7643456 503.4250789 636.7507564 655.3973886 580.7139803 445.0196712 519.1556733 363.2445306 491.2973641 670.1363514 532.2244847 601.1895183 487.844942 579.7861943 499.2865819 1054.809112 546.4511937 395.0786298 556.7318433 No_result_found_in_bank_inhouse +M994T48_1 M993.8138T0.81_1 993.8137612 993.8082082 993.8211042 0.805866667 0.787083333 0.823266667 0 217 0 217 [547][M+2]- 16 Inf 66.96909802 0 1 0 0.246953187 0.212784993 1 726.2179156 179.3418285 0.246953187 674.5122704 143.5260886 0.212784993 0.861641008 0.749349819 2.51E-05 318.9900624 1153.476262 834.4861997 0.926563683 0.926077821 0.828852751 0.924732655 0.82588821 0.835729189 0.639781915 0.913996348 0.629589938 0.913037985 0.835729189 414.8662609 422.9897395 684.9587889 959.6701016 547.2095111 618.2679589 433.6983405 1040.876017 635.0200393 570.7684333 1013.033655 1095.489882 836.3417381 499.0208066 690.7047645 885.6013027 887.6158967 607.1776767 551.1559719 592.7201204 717.8861655 654.6769551 792.0829712 1017.684977 1105.604636 865.8386108 484.0287652 696.2106861 802.0742149 1002.325054 1021.20575 516.1545682 495.8082263 578.624945 848.1095847 444.4069415 752.8146503 621.098858 735.7037781 709.7155112 961.6323698 572.9101535 635.5997031 493.6665061 665.235 1176.87525 471.7040035 557.9181121 988.4038723 985.6870153 768.8915732 775.3062983 984.7678878 489.3830657 794.5781942 674.6645019 630.7365989 948.7820486 789.2238937 597.5399358 887.7430229 515.9337454 591.1147752 644.6577802 835.270878 642.51606 542.2201338 811.1912962 820.2788366 816.1584973 590.781687 564.3432727 602.8942363 892.5979293 703.5574656 915.257243 688.1612355 1001.69557 941.2860279 575.0518737 500.0916667 916.6562456 628.258743 545.0677909 705.6920936 530.0757495 585.7604747 632.8783191 539.7134904 694.0971344 716.1455972 616.8154176 610.4013436 535.43005 644.6577802 820.194765 1055.991119 758.1689508 847.0503391 463.6824233 959.8111744 722.3262569 689.9017086 629.8688843 993.822461 635.0200393 969.4208046 686.4213241 545.0677909 565.3094693 1045.159458 761.5291939 852.4046396 562.2015525 700.3425054 667.7860355 635.0200393 610.390257 771.3828221 579.4581511 566.4849929 794.5781942 639.3034797 No_result_found_in_bank_inhouse +M997T48_2 M997.1584T0.81_2 997.1583672 997.1526414 997.1647031 0.805983333 0.7871 0.823067175 0 138 0 138 [548][M]3- 16 Inf 93.84374932 0 1 1 0.181528377 0.164409944 1 779.3086562 141.4666357 0.181528377 788.4340246 129.626394 0.164409944 0.905698309 0.793025939 3.81E-06 570.8222495 1121.727008 550.9047582 0.546137033 0.548659295 0.825939361 0.54588624 0.818499383 0.896173123 0.909199176 0.323528945 0.909878863 0.323547575 0.896173123 1092.984354 477.053964 1045.714372 1108.915502 611.2332537 620.4050784 839.5658752 687.8965315 913.9084806 780.125022 1027.079289 919.4518737 718.4836027 688.7277662 1259.079304 964.0251193 797.3430106 654.8401026 626.7337411 1014.834679 685.8726334 1010.517411 749.6237549 743.3006624 796.7069749 774.1977275 815.0488694 667.1069404 550.1721351 735.2730995 535.4955011 905.8185339 919.0883341 651.993041 790.3622703 625.7368253 683.2064993 746.4566146 810.5616315 892.8774935 675.4601615 712.6145415 867.6195814 770.9551524 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997.3249728 997.3230077 997.3269555 0.80595 0.78875 0.823266667 0 125 0 125 [M+Cl+CF3COOH]- 828.363 16 Inf 170.5579495 0 0 0 0.085423984 0.062692081 1 10525.99471 899.1723993 0.085423984 10349.1168 648.8076701 0.062692081 0.733893206 0.707212605 0.000111396 8185.753128 11640.73398 3454.980855 0.154148882 0.157262489 0.907981747 0.158401013 0.905542086 0.897437208 0.639853646 0.364067557 0.642958223 0.3678564 0.897437208 12235.05007 10713.36976 11808.56254 10944.49679 8935.200376 9941.293259 11381.69533 10307.13265 10928.08069 10375.67887 11667.97657 9536.995798 10960.33774 11792.97261 11075.25344 11082.30967 9486.574876 11249.64307 9974.565336 11580.69923 9158.895331 11652.2846 9421.038967 11374.00905 9167.969534 11449.62741 11499.63514 10656.13879 9352.525845 10835.3417 10242.75844 10345.43789 10601.47815 10020.94459 10303.25313 9640.823149 10955.29757 11353.47042 11497.01491 9547.069561 9949.281105 10186.16875 10449.44861 11150.85588 10721.6747 11508.70743 10264.93982 12530.85242 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0.787383333 0.840046237 0 138 0 138 [548][M+1]3- 16 Inf 83.86318138 0 1 1 0.202896035 0.171787261 1 568.5468859 115.3559087 0.202896035 580.4131509 99.70758524 0.171787261 0.846676284 0.705279996 0.000118551 408.8960451 844.916123 436.020078 0.510558976 0.515077607 0.932203586 0.516848503 0.931766748 0.897437208 0.841254036 0.699823706 0.839600233 0.701953625 0.897437208 647.0807643 524.7457006 566.7464352 551.6065142 453.2789213 625.5917577 413.8609837 545.5286173 638.2808107 708.5624312 499.3011295 465.8796079 665.1729504 492.152532 811.6983537 455.95753 477.5434852 643.9159401 433.9971227 612.1315455 535.7772885 533.581067 417.6182303 660.1244666 473.5732949 785.3206451 364.5290905 479.5904911 685.4772468 601.1247307 376.2307033 561.1702681 625.7549753 506.9772542 550.5643745 693.0837525 616.7945112 803.2196833 519.9317419 556.8095957 506.6671269 581.9595548 392.592942 551.5666669 492.3241718 614.0141434 777.4180035 966.7231084 571.8425757 400.4675973 686.9046102 642.3284007 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828.862 16 Inf 200.4388397 0 0 0 0.070365167 0.057243465 1 9281.922708 653.1240407 0.070365167 9135.385826 522.9411395 0.057243465 0.813519921 0.73120757 4.93E-05 8183.571974 10254.12593 2070.553959 0.26426886 0.263140997 0.828852751 0.268009076 0.82588821 0.926511606 0.465091611 0.549936396 0.4694873 0.554407338 0.926511606 9860.628639 9885.589589 9735.491197 10004.94037 8357.844082 8945.308797 9227.824242 9716.622344 9253.973935 9139.31759 8778.25068 8750.089472 10781.71944 9375.670581 9967.055939 9287.163929 8155.126398 9347.509374 8481.089252 9552.830897 8863.56579 9006.868346 7528.430012 9654.757363 8671.822935 10241.08683 9180.553644 9612.3721 8711.87069 10393.49708 8952.373008 9448.085115 8486.58103 8412.465493 9136.04248 8605.260405 9121.213957 9425.958452 10088.70172 9162.280976 9777.973546 8607.27192 8895.859324 9388.745428 9147.143382 9822.226872 9903.013902 11783.45382 9544.637826 9120.904886 11338.0578 8462.92414 9089.620525 9177.536372 10354.27254 8260.080382 9147.363649 8930.120049 10022.3726 8979.402162 8965.321558 8623.382635 8927.102776 10197.37439 9046.787908 9366.618765 9059.345338 9925.215706 10011.30926 9996.866984 7221.641443 8910.0049 8438.304675 9438.794357 8796.960377 8956.409699 9168.336013 10660.90277 9164.461525 9575.816306 8177.813505 9682.426592 10138.15119 10239.6162 8234.851059 8995.49428 10349.24375 9351.532404 9105.121838 9613.381273 8926.134512 8693.767057 9150.170901 8844.630669 9080.98366 9210.721276 10275.39871 9319.348166 9964.038667 9315.325137 8387.23617 9443.840222 9999.894503 8603.199176 9492.280522 9279.11787 8631.456018 9832.284446 10085.73531 8703.107296 9011.586399 9877.784579 8960.292771 9140.323347 8955.263984 10240.07766 7954.53536 9533.574495 8520.446996 8750.538423 9639.179023 10015.33229 8462.442853 No_result_found_in_bank_inhouse +M998T48_2 M998.3274T0.81_2 998.3274053 998.3238389 998.331037 0.805916667 0.7871 0.823266667 0 187 0 187 [M+Cl+CF3COOH]- 829.362 16 Inf 129.6887668 0 1 0 0.13878101 0.104632847 1 1674.196086 232.3466235 0.13878101 1674.155064 175.17161 0.104632847 0.753942104 0.701600613 0.000133293 1360.467935 2162.189136 801.7212012 0.664955322 0.667645973 0.828852751 0.664299554 0.82588821 0.895228214 0.805638578 0.560203897 0.806606371 0.559144944 0.895228214 1707.988447 1871.774379 1716.786733 1895.400562 1365.698306 1772.018537 1582.87666 1896.017544 1618.231276 1737.426839 2084.912206 1313.171448 1821.267785 1858.642664 2280.877791 1954.605193 1548.753387 2271.786605 1366.851481 2133.90709 1385.526011 1485.174454 1355.7265 1706.981928 1269.914514 1677.499331 1996.020601 1831.977548 1452.569648 1844.500818 1265.190678 1698.031695 1780.862509 2067.335508 1708.991423 1671.768266 1938.443083 2008.142183 1891.110683 1519.232415 1895.007412 1488.934395 1115.77976 2106.124976 1811.159737 1907.128995 1814.825326 2199.057109 1882.88583 1434.340476 2377.635885 1407.018068 1733.861843 1857.632533 1904.098599 1596.692581 1712.173541 1599.038771 1483.883736 1801.065147 1531.359934 1850.111168 1486.914132 1811.166466 1405.093449 1492.974923 1937.856027 1840.291503 1819.247521 1542.82157 1300.961629 1519.238352 1734.396443 1426.827339 1733.851287 1597.679682 1590.894121 1607.289355 1611.160353 1833.389367 1446.508856 1384.890811 1610.792796 1882.88583 1535.983469 1567.724682 1701.062091 1414.184636 1592.977979 1973.42006 1404.040453 1436.407537 1541.122212 1852.581873 1429.336614 2056.076311 1778.651788 1715.203937 1487.924263 1758.639608 1443.529191 1514.755962 1781.490862 1597.075851 1266.821281 1960.665985 1274.752288 2138.449196 2064.709569 2064.17779 1706.11275 2052.486236 1436.407537 1558.633495 1544.491649 2189.331067 1405.093449 1485.904 1661.078175 1876.64273 1859.652796 1834.399499 1350.546327 No_result_found_in_bank_inhouse +M999T48 M998.8268T0.81 998.8267874 998.8227453 998.83045 0.805816667 0.7871 0.823266667 0 277 0 277 [M-2H+K]- 961.875 16 Inf 170.8542014 0 1 0 0.097879448 0.075342417 1 2161.301338 211.5469814 0.097879448 2157.02098 162.5151748 0.075342417 0.769747062 0.747297928 2.71E-05 1776.332945 2451.773527 675.4405812 0.753062678 0.752179857 0.828852751 0.755830889 0.82588821 0.924056199 0.754829597 0.610518283 0.757954599 0.60997047 0.924056199 2265.134054 2224.011655 2313.118478 2568.563384 1910.499063 2337.257938 2251.405959 2165.164631 2297.063132 1940.937178 2219.953239 2107.332211 2594.342062 2375.187629 2368.085402 2282.858678 2242.122995 2358.953968 2117.897939 2154.857575 2257.291772 2097.068069 1958.911588 2540.65604 2207.682509 2461.399418 2255.464374 2044.322087 2528.392812 2013.988656 2369.256122 2003.842618 2202.704974 2268.745573 2095.559596 2417.800991 2209.807201 2064.718849 2456.479115 1972.730779 2620.721763 1814.111696 2139.860032 2644.057651 2047.385257 2388.377479 2209.804775 2767.839322 1898.323816 2101.890793 2508.07019 1894.27159 2131.672175 2021.090883 2259.52279 1975.022036 2170.23765 1954.127029 2116.463646 2299.09234 2024.134695 2049.978722 2058.631226 2260.537393 1880.060947 2087.040134 2284.938878 2130.189578 2019.061675 1837.327264 1806.463899 1960.214652 2156.033196 2204.254242 1912.903542 1986.682864 2057.645677 2231.035174 2035.295337 2375.187629 1630.468398 2423.888614 1917.592067 2374.173025 1820.254267 2064.718849 2440.122276 2515.202961 2024.134695 2165.802142 2106.7045 2190.529727 2036.364901 1983.55054 2211.836408 2205.942293 2503.677313 2496.940092 2284.887886 2351.851741 1849.542631 2116.075692 2032.333005 1922.908183 1881.028479 1988.62356 1821.55318 2222.997051 2587.239835 2480.493826 2354.895552 2240.288965 2212.851012 2502.013111 2459.399749 2512.459809 2076.894095 2062.689641 1978.847344 2314.131771 1957.17084 2407.654953 2141.828742 No_result_found_in_bank_inhouse \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/outFull_test01.tabular Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,9 @@ +id name masses FragMz_metabohub.pf.org DeltaInMmu_metabohub.pf.org Attribution_metabohub.pf.org CpdID_metabohub.pf.org CpdName_metabohub.pf.org CpdMonoMass_metabohub.pf.org CpdFormula_metabohub.pf.org CpdInChIKey_metabohub.pf.org SpectrumID_metabohub.pf.org SpName_metabohub.pf.org SpType_metabohub.pf.org SpRes_metabohub.pf.org SpQuality_metabohub.pf.org SpSplash_metabohub.pf.org +001217 Picolinic Acid 122.02 122.024753 0.0048 [(M-H)-(CO2)]- 352 Quinolinic acid 167.021857645 C7H5NO4 GJAWHXHKYYXBSV-UHFFFAOYSA-N 901 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.41]; fullscan high no curation splash10-014i-0902000000-07151c674a954d7cbbb6 +001217 Picolinic Acid 122.02 122.024753 0.0048 [(M-H)-(CO2)]- 352 Quinolinic acid 167.021857645 C7H5NO4 GJAWHXHKYYXBSV-UHFFFAOYSA-N 1078 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.05]; fullscan high no curation splash10-014i-0902000000-07151c674a954d7cbbb6 +001217 Picolinic Acid 122.02 122.024753 0.0048 [(M-H)]- 388 2-Picolinic Acid 123.032028405 C6H5NO2 SIOXPEMLGUPBBT-UHFFFAOYSA-N 1217 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.22]; fullscan high no curation splash10-00di-0921000000-1c9eb9cb410719cb63fb +001217 Picolinic Acid 122.02 122.024753 0.0048 [(M-H)]- 285 Nicotinic acid 123.032028405 C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N 1733 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.93]; fullscan high no curation splash10-00di-0920000000-7862bf35ee21daa5ec77 +001217 Picolinic Acid 122.02 122.024753 0.0048 [(M-H)]- 388 2-Picolinic Acid 123.032028405 C6H5NO2 SIOXPEMLGUPBBT-UHFFFAOYSA-N 2516 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.99]; fullscan high no curation splash10-00di-0921000000-1c9eb9cb410719cb63fb +001217 Picolinic Acid 122.02 122.024753 0.0048 [(M-H)]- 285 Nicotinic acid 123.032028405 C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N 2850 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.08]; fullscan high no curation splash10-00di-0920000000-7862bf35ee21daa5ec77 +001217 Picolinic Acid 122.02 122.024753 0.0048 [(M-H)]- 285 Nicotinic acid 123.032028405 C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N 3139 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.95]; fullscan high no curation splash10-00di-0920000000-7862bf35ee21daa5ec77 +001217 Picolinic Acid 122.02 122.024753 0.0048 [(M-H)]- 388 2-Picolinic Acid 123.032028405 C6H5NO2 SIOXPEMLGUPBBT-UHFFFAOYSA-N 3567 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.13]; fullscan high no curation splash10-00di-0921000000-1c9eb9cb410719cb63fb
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/outFull_test01bis.tabular Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,8 @@ +001217 Picolinic Acid 122.02 122.024753 0.0048 0.0048 [(M-H)-(CO2)]- Quinolinic acid 167.021857645 C7H5NO4 GJAWHXHKYYXBSV-UHFFFAOYSA-N 901 fullscan high no curation splash10-014i-0902000000-07151c674a954d7cbbb6 +001217 Picolinic Acid 122.02 122.024753 0.0048 0.0048 [(M-H)-(CO2)]- Quinolinic acid 167.021857645 C7H5NO4 GJAWHXHKYYXBSV-UHFFFAOYSA-N 1078 fullscan high no curation splash10-014i-0902000000-07151c674a954d7cbbb6 +001217 Picolinic Acid 122.02 122.024753 0.0048 0.0048 [(M-H)]- 2-Picolinic Acid 123.032028405 C6H5NO2 SIOXPEMLGUPBBT-UHFFFAOYSA-N 1217 fullscan high no curation splash10-00di-0921000000-1c9eb9cb410719cb63fb +001217 Picolinic Acid 122.02 122.024753 0.0048 0.0048 [(M-H)]- Nicotinic acid 123.032028405 C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N 1733 fullscan high no curation splash10-00di-0920000000-7862bf35ee21daa5ec77 +001217 Picolinic Acid 122.02 122.024753 0.0048 0.0048 [(M-H)]- 2-Picolinic Acid 123.032028405 C6H5NO2 SIOXPEMLGUPBBT-UHFFFAOYSA-N 2516 fullscan high no curation splash10-00di-0921000000-1c9eb9cb410719cb63fb +001217 Picolinic Acid 122.02 122.024753 0.0048 0.0048 [(M-H)]- Nicotinic acid 123.032028405 C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N 2850 fullscan high no curation splash10-00di-0920000000-7862bf35ee21daa5ec77 +001217 Picolinic Acid 122.02 122.024753 0.0048 0.0048 [(M-H)]- Nicotinic acid 123.032028405 C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N 3139 fullscan high no curation splash10-00di-0920000000-7862bf35ee21daa5ec77 +001217 Picolinic Acid 122.02 122.024753 0.0048 0.0048 [(M-H)]- 2-Picolinic Acid 123.032028405 C6H5NO2 SIOXPEMLGUPBBT-UHFFFAOYSA-N 3567 fullscan high no curation splash10-00di-0921000000-1c9eb9cb410719cb63fb
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/outFull_test02.tabular Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,747 @@ +name namecustom mz mzmin mzmax rt rtmin rtmax rtmed npeaks Blancs NetCDF isotopes adduct pcgroup fold tstat pvalue norm.b1 norm.b2 CV.samp CV.pool CV.ind sample_mean sample_sd sample_CV pool_mean pool_sd pool_CV poolCV_over_sampleCV poolDil_correl poolDil_pval minpool maxpool diffpool pval.BH.status.sans.cofact_status pval.BH.status.cofact.gpeIMC_status pval.BH.status.cofact.gpeIMC_gpeIMC pval.BH.status.cofact.gpeIMC.inter_status pval.BH.status.cofact.gpeIMC.inter_gpeIMC pval.BH.status.cofact.gpeIMC.inter_status:gpeIMC pval.BH.gpeIMC.cofact.status_gpeIMC pval.BH.gpeIMC.cofact.status_status pval.BH.gpeIMC.cofact.status.inter_gpeIMC pval.BH.gpeIMC.cofact.status.inter_status pval.BH.gpeIMC.cofact.status.inter_gpeIMC:status GP001_T1_C18neg GP002_T1_C18neg GP003_T1_C18neg GP004_T1_C18neg GP005_T1_C18neg GP006_T1_C18neg GP007_T1_C18neg GP008_T1_C18neg GP009_T1_C18neg GP010_T1_C18neg GP011_T1_C18neg GP012_T1_C18neg GP013_T1_C18neg GP014_T1_C18neg GP015_T1_C18neg GP016_T1_C18neg GP017_T1_C18neg GP018_T1_C18neg GP019_T1_C18neg GP020_T1_C18neg GP021_T1_C18neg GP022_T1_C18neg GP023_T1_C18neg GP024_T1_C18neg GP025_T1_C18neg GP026_T1_C18neg GP027_T1_C18neg GP028_T1_C18neg GP029_T1_C18neg GP030_T1_C18neg GP031_T1_C18neg GP032_T1_C18neg GP033_T1_C18neg GP034_T1_C18neg GP035_T1_C18neg GP036_T1_C18neg GP037_T1_C18neg GP038_T1_C18neg GP039_T1_C18neg GP040_T1_C18neg GP041_T1_C18neg GP042_T1_C18neg GP043_T1_C18neg GP044_T1_C18neg GP045_T1_C18neg GP046_T1_C18neg GP047_T1_C18neg GP048_T1_C18neg GP049_T1_C18neg GP050_T1_C18neg GP051_T1_C18neg GP052_T1_C18neg GP053_T1_C18neg GP054_T1_C18neg GP055_T1_C18neg GP056_T1_C18neg GP057_T1_C18neg GP058_T1_C18neg GP059_T1_C18neg GP060_T1_C18neg GP061_T1_C18neg GP062_T1_C18neg GP063_T1_C18neg GP064_T1_C18neg GP065_T1_C18neg GP066_T1_C18neg GP067_T1_C18neg GP068_T1_C18neg GP069_T1_C18neg GP070_T1_C18neg GP071_T1_C18neg GP072_T1_C18neg GP073_T1_C18neg GP074_T1_C18neg GP075_T1_C18neg GP076_T1_C18neg GP077_T1_C18neg GP078_T1_C18neg GP079_T1_C18neg GP080_T1_C18neg GP081_T1_C18neg GP082_T1_C18neg GP083_T1_C18neg GP084_T1_C18neg GP085_T1_C18neg GP086_T1_C18neg GP087_T1_C18neg GP088_T1_C18neg GP089_T1_C18neg GP090_T1_C18neg GP091_T1_C18neg GP092_T1_C18neg GP093_T1_C18neg GP094_T1_C18neg GP095_T1_C18neg GP096_T1_C18neg GP097_T1_C18neg GP098_T1_C18neg GP099_T1_C18neg GP100_T1_C18neg GP101_T1_C18neg GP102_T1_C18neg GP103_T1_C18neg GP104_T1_C18neg GP105_T1_C18neg GP106_T1_C18neg GP107_T1_C18neg GP108_T1_C18neg GP109_T1_C18neg GP110_T1_C18neg GP111_T1_C18neg GP112_T1_C18neg GP113_T1_C18neg GP114_T1_C18neg GP115_T1_C18neg GP116_T1_C18neg GP117_T1_C18neg GP118_T1_C18neg GP119_T1_C18neg GP120_T1_C18neg GP121_T1_C18neg GP122_T1_C18neg GP123_T1_C18neg 'BiH_2018Mars23_C18Neg_BW_6-4_Comb_DM_VM_AnovaT1.txt_(DELTA_mass(0.005Da)#MASS_Result#DELTA_RT(0.2)#RT_Result#names#M#composition M-H#Masse [M-H]- Th##Masse exp#Tr#Delta Neg ppm' FragMz_metabohub.pf.org Attribution_metabohub.pf.org CpdID_metabohub.pf.org CpdName_metabohub.pf.org CpdMonoMass_metabohub.pf.org CpdFormula_metabohub.pf.org CpdInChIKey_metabohub.pf.org SpectrumID_metabohub.pf.org SpName_metabohub.pf.org SpType_metabohub.pf.org SpRes_metabohub.pf.org SpQuality_metabohub.pf.org SpSplash_metabohub.pf.org +M45T49 M44.9981T0.82 44.99805094 44.99782941 44.99831364 0.823043737 0.803148718 1.012386919 0 321 0 319 '[M-H]-' 46.0035 16 4.572152893 51.77661523 1.33E-15 1 1 0.137636624 0.119086233 1 2862.129963 393.9339042 0.137636624 2874.934366 342.3651039 0.119086233 0.865221988 0.820442296 9.15E-07 2142.517968 3922.653719 1780.135751 0.870450776 0.872776752 0.864302739 0.863835953 0.860184011 0.469730133 0.906045885 0.640122634 0.90300562 0.623755363 0.469730133 3312.842547 2315.145125 2209.551608 3029.9656 2356.716158 2732.511712 2673.801201 2574.397706 2531.779767 3056.284589 2159.385171 3398.75192 3654.53852 2752.946548 3033.964432 3229.043828 2027.496626 2691.313709 2670.554606 2649.418418 2794.199676 2115.653392 2500.623626 2622.303816 2415.884279 2739.904966 3626.933984 2551.131353 3014.942516 2575.157235 3030.890832 3264.19169 2394.123376 2952.397493 3200.140033 3217.342811 2825.014137 3057.487385 2724.052462 3467.911958 3067.476066 2646.397111 3173.064869 3135.03866 2701.632921 3107.956898 3117.198107 2748.475284 2685.986855 3008.414164 2884.233742 2469.071033 2886.644352 3086.894542 2613.352535 3521.660036 2439.757536 2722.900301 2094.572883 2262.70212 3517.671061 2760.854938 3866.190061 2636.692884 2644.513247 2478.422548 3106.88111 2707.327209 3579.880674 3252.80236 3381.878351 3103.35966 2370.825046 2916.229303 2494.415535 2587.80619 2533.667097 2968.641183 2832.19156 2775.037537 3333.119163 2834.181106 3118.451087 3173.902699 2945.299149 2560.996294 3060.898513 2506.395786 3169.036174 3164.507886 2589.375343 2459.448343 2910.359684 3300.07033 2906.106031 2748.18077 3186.160215 3604.599947 2372.778382 2630.116491 2646.022336 2907.705448 2714.602611 3151.780325 1992.747397 3064.985156 3155.174922 2676.065352 2849.372262 2900.548442 2864.056215 2859.042055 2485.234675 2142.656254 3465.98803 2910.097019 2391.732974 3384.899182 3484.3403 2852.475534 2553.859249 2534.000636 2791.453732 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M79T56_1 M78.9187T0.93_1 78.91872652 78.91841749 78.91899069 0.925566005 0.891536313 0.945532562 0 187 0 187 836 514.0660129 41.98632341 0 0 0 0.400594149 0.100570673 1 3279.32217 1313.677274 0.400594149 3157.056206 317.5072671 0.100570673 0.251053774 0.917198038 2.94E-10 2461.010549 3814.815442 1353.804892 0.890407325 0.892301966 0.917465563 0.894174936 0.917754402 0.930722271 0.963117998 0.790951905 0.962082819 0.795223727 0.930722271 2380.230158 2325.683411 2155.514337 3552.769698 2234.796587 2190.665415 2891.390187 3385.746559 2278.965885 2498.113555 2140.512125 5096.457439 5628.187832 4878.159179 7054.346506 2684.134251 1898.158228 2494.715917 2735.507128 2967.755324 3088.273307 3852.80926 1717.381254 3129.701363 4240.726516 3626.838042 3355.167814 2276.032319 2951.698267 3427.367628 3791.294873 3809.601936 3230.304607 3620.561064 1547.90284 3599.797771 4289.518345 2212.711938 2326.248145 3550.258907 3419.722942 3395.939474 3570.345238 3634.623564 2446.766128 2415.720826 2206.985558 3128.375458 4899.394418 3688.352429 5694.474683 2347.589871 3265.284094 4028.749606 3711.919835 2446.766128 3293.160915 5514.366949 3261.732761 4226.662036 3127.526049 3613.02869 3998.170861 2772.472847 3788.366697 4405.887456 3218.834455 3500.043081 3369.607777 2496.981954 2395.294906 2414.871417 1960.437295 2962.733742 2809.575472 3355.672581 3520.129412 3620.561064 2363.906842 3931.916914 2216.109577 3875.006473 8918.33072 2113.331018 2891.176189 2839.576203 5235.760609 3292.311506 2674.790746 2455.553898 2183.133041 13818.19494 2745.550294 2327.382231 5054.83637 4351.201334 4176.701338 2935.559485 4029.599015 4010.912005 1822.834488 6475.330779 4199.29846 2086.467576 2790.744537 4164.655138 10757.48535 5164.410205 2324.834002 3650.690559 4082.262409 2271.010737 1921.364455 3237.949293 2904.131331 2668.971159 2903.281921 3683.039909 3658.222933 5294.003469 3152.158926 4449.207345 2835.329155 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.95905 [(M-H)-(C9H10O4N2)-(H20)]- 1238 dUMP 308.040952016 C9H13N2O8P JSRLJPSBLDHEIO-SHYZEUOFSA-N 2172 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.97]; fullscan high no curation splash10-0a4i-0009000000-b191adbd7d1b3055e39a +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.95905 [(M-H)-(C9H10O4N2)-(H20)]- 1238 dUMP 308.040952016 C9H13N2O8P JSRLJPSBLDHEIO-SHYZEUOFSA-N 3521 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.35]; fullscan high no curation splash10-0a4i-0009000000-b191adbd7d1b3055e39a +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.95905 [(M-H)-(C9H10O4N2)-(H20)]- 1238 dUMP 308.040952016 C9H13N2O8P JSRLJPSBLDHEIO-SHYZEUOFSA-N 3636 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.42]; fullscan high no curation splash10-0a4i-0009000000-b191adbd7d1b3055e39a +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C2H7N)]- 1986 2-aminoethylphosphonic acid 125.024179751 C2H8NO3P QQVDJLLNRSOCEL-UHFFFAOYSA-N 971 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.81]; fullscan high no curation splash10-00di-0910000000-617a21254543fc30eb42 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C6H10O5)-(H2O)]- 2075 D-Fructose 6-phosphate 260.029718626 C6H13O9P BGWGXPAPYGQALX-VRPWFDPXSA-N 1000 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.94]; fullscan high no curation splash10-0a4i-0091000000-6ee73d0c75deefdc3430 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C6H10O5)-(H2O)]- 2075 D-Fructose 6-phosphate 260.029718626 C6H13O9P BGWGXPAPYGQALX-VRPWFDPXSA-N 1055 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.87]; fullscan high no curation splash10-0a4i-0091000000-6ee73d0c75deefdc3430 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C10H14O7N5P)]- 1009 Adenosine 5'-diphosphate 427.029414965 C10H15N5O10P2 XTWYTFMLZFPYCI-KQYNXXCUSA-N 1227 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.36]; fullscan high no curation splash10-004i-0001900000-0cce942da93ccc07a0ea +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C5H10O4)]- 1450 2-deoxy-D-ribofuranose 5-phosphate 214.024239322 C5H11O7P KKZFLSZAWCYPOC-PYHARJCCSA-N 1477 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.23]; fullscan high no curation splash10-03di-0090000000-b6c6e4ad99361774a595 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C10H13O4N5)]- 1173 dGMP 347.063084443 C10H14N5O7P LTFMZDNNPPEQNG-KVQBGUIXSA-N 1491 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.58]; fullscan high no curation splash10-0002-0009000000-3b9b0c7f62b4edc23ab7 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C10H13O4N5)]- 1174 3'-AMP 347.063084443 C10H14N5O7P LNQVTSROQXJCDD-KQYNXXCUSA-N 1521 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.08]; fullscan high no curation splash10-0002-0009000000-a7ee642d012372aaa8f9 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C6H10O5)-(H2O)]- 1130 D-Glucose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-GASJEMHNSA-N 1692 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.14]; fullscan high no curation splash10-0a4i-1091000000-5c993d839d16918ad2fc +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C10H14O7N5P)]- 1009 Adenosine 5'-diphosphate 427.029414965 C10H15N5O10P2 XTWYTFMLZFPYCI-KQYNXXCUSA-N 1725 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.27]; fullscan high no curation splash10-004i-0001900000-0cce942da93ccc07a0ea +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C6H10O5)-(H2O)]- 1130 D-Glucose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-GASJEMHNSA-N 1825 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.28]; fullscan high no curation splash10-0a4i-1091000000-5c993d839d16918ad2fc +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C3H6O3)]- 413 dihydroxyacetone phosphate 169.998024574 C3H7O6P GNGACRATGGDKBX-UHFFFAOYSA-N 1832 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.92]; fullscan high no curation splash10-014j-7901000000-617e8fc4765d40312278 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C10H14O7N5P)]- 1009 Adenosine 5'-diphosphate 427.029414965 C10H15N5O10P2 XTWYTFMLZFPYCI-KQYNXXCUSA-N 1858 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.93]; fullscan high no curation splash10-004i-0001900000-0cce942da93ccc07a0ea +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C5H10O4)]- 1450 2-deoxy-D-ribofuranose 5-phosphate 214.024239322 C5H11O7P KKZFLSZAWCYPOC-PYHARJCCSA-N 1862 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.89]; fullscan high no curation splash10-03di-0090000000-b6c6e4ad99361774a595 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C3H6O3)]- 413 dihydroxyacetone phosphate 169.998024574 C3H7O6P GNGACRATGGDKBX-UHFFFAOYSA-N 1865 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.19]; fullscan high no curation splash10-014j-7901000000-617e8fc4765d40312278 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C3H4O3)]- 397 Phosphoenolpyruvic acid 167.98237451 C3H5O6P DTBNBXWJWCWCIK-UHFFFAOYSA-N 1964 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.25]; fullscan high no curation splash10-014i-3911000000-f0eb3946b16d19813994 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C5H10O5)]- 1161 D-ribofuranose 5-phosphate 230.019153942 C5H11O8P KTVPXOYAKDPRHY-SOOFDHNKSA-N 2120 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.3]; fullscan high no curation splash10-004i-2093000000-0369726ab5be5b3a2da0 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C6H10O5)-(H2O)]- 2075 D-Fructose 6-phosphate 260.029718626 C6H13O9P BGWGXPAPYGQALX-VRPWFDPXSA-N 2144 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.2]; fullscan high no curation splash10-0a4i-0091000000-6ee73d0c75deefdc3430 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C10H13O4N5)]- 1173 dGMP 347.063084443 C10H14N5O7P LTFMZDNNPPEQNG-KVQBGUIXSA-N 2194 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.84]; fullscan high no curation splash10-0002-0009000000-3b9b0c7f62b4edc23ab7 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C2H7N)]- 1986 2-aminoethylphosphonic acid 125.024179751 C2H8NO3P QQVDJLLNRSOCEL-UHFFFAOYSA-N 2232 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.83]; fullscan high no curation splash10-00di-0910000000-617a21254543fc30eb42 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C3H6O3)]- 413 dihydroxyacetone phosphate 169.998024574 C3H7O6P GNGACRATGGDKBX-UHFFFAOYSA-N 2257 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.88]; fullscan high no curation splash10-014j-7901000000-617e8fc4765d40312278 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C5H10O5)]- 1161 D-ribofuranose 5-phosphate 230.019153942 C5H11O8P KTVPXOYAKDPRHY-SOOFDHNKSA-N 2297 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.2]; fullscan high no curation splash10-004i-2093000000-0369726ab5be5b3a2da0 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C10H13O4N5)]- 1173 dGMP 347.063084443 C10H14N5O7P LTFMZDNNPPEQNG-KVQBGUIXSA-N 2342 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.01]; fullscan high no curation splash10-0002-0009000000-3b9b0c7f62b4edc23ab7 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C6H10O5)-(H2O)]- 1214 alpha-D-glucose 1-phosphate 260.029718626 C6H13O9P HXXFSFRBOHSIMQ-VFUOTHLCSA-N 2533 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.26]; fullscan high no curation splash10-0a4i-2090000000-bf74d255f32411040eaa +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C2H7N)]- 1986 2-aminoethylphosphonic acid 125.024179751 C2H8NO3P QQVDJLLNRSOCEL-UHFFFAOYSA-N 2711 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.63]; fullscan high no curation splash10-00di-0910000000-617a21254543fc30eb42 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C6H10O5)-(H2O)]- 2075 D-Fructose 6-phosphate 260.029718626 C6H13O9P BGWGXPAPYGQALX-VRPWFDPXSA-N 2729 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.28]; fullscan high no curation splash10-0a4i-0091000000-6ee73d0c75deefdc3430 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C10H14O7N5P)]- 1009 Adenosine 5'-diphosphate 427.029414965 C10H15N5O10P2 XTWYTFMLZFPYCI-KQYNXXCUSA-N 2734 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.01]; fullscan high no curation splash10-004i-0001900000-0cce942da93ccc07a0ea +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C2H7N)]- 1986 2-aminoethylphosphonic acid 125.024179751 C2H8NO3P QQVDJLLNRSOCEL-UHFFFAOYSA-N 2820 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.67]; fullscan high no curation splash10-00di-0910000000-617a21254543fc30eb42 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C6H10O5)-(H2O)]- 1214 alpha-D-glucose 1-phosphate 260.029718626 C6H13O9P HXXFSFRBOHSIMQ-VFUOTHLCSA-N 2857 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.87]; fullscan high no curation splash10-0a4i-2090000000-bf74d255f32411040eaa +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C10H13O4N5)]- 1173 dGMP 347.063084443 C10H14N5O7P LTFMZDNNPPEQNG-KVQBGUIXSA-N 2923 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.74]; fullscan high no curation splash10-0002-0009000000-3b9b0c7f62b4edc23ab7 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C5H10O4)]- 1450 2-deoxy-D-ribofuranose 5-phosphate 214.024239322 C5H11O7P KKZFLSZAWCYPOC-PYHARJCCSA-N 2969 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.29]; fullscan high no curation splash10-03di-0090000000-b6c6e4ad99361774a595 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C3H6O4)]- 2074 3-phospho-D-glyceric acid 185.992939194 C3H7O7P OSJPPGNTCRNQQC-UWTATZPHSA-N 3081 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.3]; fullscan high no curation splash10-001i-0921000000-632703b60e0059d8cd64 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C5H10O4)]- 1450 2-deoxy-D-ribofuranose 5-phosphate 214.024239322 C5H11O7P KKZFLSZAWCYPOC-PYHARJCCSA-N 3143 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.9]; fullscan high no curation splash10-03di-0090000000-b6c6e4ad99361774a595 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C6H10O5)-(H2O)]- 1130 D-Glucose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-GASJEMHNSA-N 3257 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.19]; fullscan high no curation splash10-0a4i-1091000000-5c993d839d16918ad2fc +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C6H10O5)-(H2O)]- 1130 D-Glucose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-GASJEMHNSA-N 3305 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.9]; fullscan high no curation splash10-0a4i-1091000000-5c993d839d16918ad2fc +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C10H13O4N5)]- 1174 3'-AMP 347.063084443 C10H14N5O7P LNQVTSROQXJCDD-KQYNXXCUSA-N 3315 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.76]; fullscan high no curation splash10-0002-0009000000-a7ee642d012372aaa8f9 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C3H6O4)]- 2074 3-phospho-D-glyceric acid 185.992939194 C3H7O7P OSJPPGNTCRNQQC-UWTATZPHSA-N 3365 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.98]; fullscan high no curation splash10-001i-0921000000-632703b60e0059d8cd64 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C6H10O5)-(H2O)]- 1214 alpha-D-glucose 1-phosphate 260.029718626 C6H13O9P HXXFSFRBOHSIMQ-VFUOTHLCSA-N 3370 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.93]; fullscan high no curation splash10-0a4i-2090000000-bf74d255f32411040eaa +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C3H4O3)]- 397 Phosphoenolpyruvic acid 167.98237451 C3H5O6P DTBNBXWJWCWCIK-UHFFFAOYSA-N 3477 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.36]; fullscan high no curation splash10-014i-3911000000-f0eb3946b16d19813994 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C10H13O4N5)]- 1174 3'-AMP 347.063084443 C10H14N5O7P LNQVTSROQXJCDD-KQYNXXCUSA-N 3552 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.0]; fullscan high no curation splash10-0002-0009000000-a7ee642d012372aaa8f9 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C3H4O3)]- 397 Phosphoenolpyruvic acid 167.98237451 C3H5O6P DTBNBXWJWCWCIK-UHFFFAOYSA-N 3582 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.92]; fullscan high no curation splash10-014i-3911000000-f0eb3946b16d19813994 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C6H10O5)-(H2O)]- 1214 alpha-D-glucose 1-phosphate 260.029718626 C6H13O9P HXXFSFRBOHSIMQ-VFUOTHLCSA-N 3621 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.18]; fullscan high no curation splash10-0a4i-2090000000-bf74d255f32411040eaa +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C3H6O4)]- 2074 3-phospho-D-glyceric acid 185.992939194 C3H7O7P OSJPPGNTCRNQQC-UWTATZPHSA-N 3667 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.37]; fullscan high no curation splash10-001i-0921000000-632703b60e0059d8cd64 +M79T56_2 M78.9589T0.94_2 78.95892546 78.95843766 78.95956691 0.941626756 0.887498134 1.096838487 0 182 0 179 837 12.85214593 27.63243718 2.53E-10 1 1 0.308821442 0.194600899 1 576.6043224 178.0677784 0.308821442 540.7735943 105.2350278 0.194600899 0.630140504 0.845610521 1.97E-07 295.652021 741.8849831 446.232962 0.123302098 0.12517044 0.87036886 0.126820344 0.870403889 0.897437208 0.34823471 0.610314599 0.348125143 0.609071017 0.897437208 518.5763879 682.6228361 426.084964 402.6671116 601.1965818 461.0597311 379.3605437 274.6487076 473.5104807 631.4187874 402.6765303 519.5361204 792.7450001 572.6959264 574.2498526 932.0106715 413.2628268 814.6225278 501.7747525 460.2928672 596.3849894 675.3553418 729.5764457 540.5493518 440.999271 764.6034557 317.5015337 408.0583226 504.1757652 615.5315 518.7282231 283.9148964 852.2046617 571.188643 871.011711 627.2412536 562.3476958 486.2658602 559.4222235 344.1827685 439.1005351 605.1967356 636.8683699 1505.524004 793.2821323 580.2025334 635.9885904 590.8964159 427.1345674 489.5966973 527.7202576 449.2343418 783.0183411 753.4329934 796.6480209 546.7258475 884.3797905 589.7967807 719.2277631 364.6050632 499.1711226 624.343676 811.1697652 601.602557 595.6568299 741.7936531 971.6300437 570.5541097 595.1581467 558.7697943 759.4642175 631.8594033 376.2729712 492.3049395 438.8884365 732.3038863 613.0430546 364.3017065 252.2181168 624.4975161 603.8067116 370.2544466 444.5419418 496.220104 374.1879603 887.0338713 351.5280501 606.8134112 606.1962374 514.3095112 516.5710651 891.7269313 670.9428386 600.1056968 654.8059334 478.8690868 825.712662 392.5145858 1120.983008 726.357069 781.7180467 356.2675861 454.6991149 580.7982076 549.992607 407.7148659 312.5067224 470.4659108 593.2019569 657.355807 431.9301312 546.5075429 403.8342958 509.5867655 441.5030971 477.8543305 531.1129904 513.44733 334.8977127 630.2874169 395.7085075 527.6019261 706.5903198 No_result_found_in_bank_inhouse 78.959057 [(M-H)-(C10H13O4N5)]- 1174 3'-AMP 347.063084443 C10H14N5O7P LNQVTSROQXJCDD-KQYNXXCUSA-N 3733 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.53]; fullscan high no curation splash10-0002-0009000000-a7ee642d012372aaa8f9 +M81T55 M80.9167T0.92 80.91668543 80.91632207 80.91694323 0.919515967 0.889752375 0.95420501 0 194 0 194 [M-H]- 81.9252 [2M-3H]3- 122.891 45 483.2838334 44.48581332 0 1 0 0.377288578 0.095774421 1 3404.062863 1284.314038 0.377288578 3291.874794 315.2774008 0.095774421 0.253849244 0.907589047 9.38E-10 2663.956355 3927.719176 1263.762821 0.964270498 0.964678143 0.907981747 0.96483897 0.911249084 0.926511606 0.944941885 0.825522489 0.946402346 0.826905887 0.926511606 3134.415039 2576.419539 1978.109736 3412.954187 2788.28495 2542.20308 3427.284644 3772.735877 2423.26382 2694.689789 2072.707397 5539.131836 5435.326293 5280.468844 6231.736032 2897.195684 1977.505041 2288.827133 3007.759788 3121.436584 2864.892249 3792.437996 1336.676221 2792.719376 5699.0681 4546.822097 3767.630687 1897.390136 2966.966622 3354.96111 4285.082151 3295.400553 2749.145155 3990.346806 1611.203391 3323.479102 4501.076407 2363.703263 1973.366133 4010.632417 4957.140104 3821.235188 4000.402553 3285.190172 3157.917602 2227.564846 2055.217647 2809.556578 5340.029401 3308.597138 4386.276189 2432.864392 3033.730931 4884.81657 3108.21023 2701.9767 4423.647683 5392.783038 3392.399175 3662.974279 3815.279132 4189.319352 3750.613384 3211.164908 3889.304397 3972.689177 3744.934532 2437.648741 3867.181904 2651.905548 2848.580307 2076.961722 2035.269332 4038.930303 3061.033429 3256.592865 3650.822546 3669.983485 2010.594244 3206.910582 2254.792529 3540.449703 8956.795279 2680.225082 3757.467947 3114.166286 4872.904458 3514.92375 3187.340685 2142.594366 1836.647588 13419.84444 2674.135435 2476.017457 4761.44113 3249.097385 5311.211857 3139.692239 4777.607567 4001.618591 2155.827021 6250.750786 3844.832798 2402.093777 3179.975596 4467.041803 10583.42779 4450.875366 2046.330578 3402.132356 4067.986069 2545.736798 1873.604962 3366.873222 2744.039965 2544.869906 2561.954832 4671.249428 4001.362489 4860.827354 2795.091871 4485.760835 3496.204718 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M93T52 M92.9279T0.87 92.92789553 92.92768279 92.92898573 0.865200046 0.720418306 1.150907401 0 333 0 329 33 8622.029346 62.59035528 0 1 1 0.170392047 0.141375068 1 242651.686 41345.91751 0.170392047 223659.7665 31619.91464 0.141375068 0.829704614 0.965760269 2.23E-14 138972.7927 278856.2214 139883.4287 0.546137033 0.548750551 0.917465563 0.537461595 0.916454701 0.507044165 0.859653827 0.678594721 0.854180076 0.671332655 0.507044165 230402.3393 285445.3304 241004.3103 215786.3079 240033.2264 234988.3987 260916.5359 142003.3856 278497.0639 217770.8816 152358.3792 203645.6003 288168.8957 254174.5274 342688.4587 175267.5069 211627.4999 262738.3515 253682.8183 248026.1302 248742.9891 212144.7075 202123.5957 248951.7563 219457.0712 251743.7949 307306.0428 270565.3846 212688.4536 174747.1869 249989.1765 321976.8481 262649.5378 235311.9175 255942.0426 285736.2022 180354.4041 280960.3979 217592.9665 212552.8291 155082.8035 186950.1206 240950.2518 306314.0109 227047.8162 310918.8156 238104.0599 278081.7895 237760.8787 238171.3897 229825.9314 217711.021 229448.566 262070.6178 219976.2113 241865.5595 205642.4669 182710.3393 177051.4024 265435.6041 174964.33 230891.9011 207469.0257 295230.1223 199048.5293 233925.9138 218093.2289 258852.6739 340081.514 266282.8091 248921.7461 289986.6404 196789.3662 268444.1183 237470.6332 234622.0243 216729.4934 203962.7242 166409.7408 234375.3156 211205.6556 199783.0233 243845.2825 283381.7634 258832.0726 232336.0305 336867.2863 302016.3395 301848.4899 265900.8078 248170.2372 237362.8786 213056.3248 230502.626 190208.2541 236845.6204 241609.7968 154480.406 142668.2362 270245.4589 222109.9806 226273.1972 253732.3455 239887.3773 240222.913 263303.6029 262807.6603 298091.7258 274504.5817 252135.9821 238796.2388 219805.2302 220485.2014 251690.3019 309417.2336 233308.8749 205448.2281 278241.3514 223815.2731 222305.7149 219407.9463 203749.9727 315634.805 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M95T52 M94.9249T0.87 94.92494838 94.92474391 94.92651298 0.870230364 0.737536304 1.161579316 0 333 0 330 [M+Cl]- 59.9556 33 7129.239189 66.17998004 0 1 1 0.150188082 0.122162706 1 183606.4155 27575.49547 0.150188082 167751.4249 20492.96808 0.122162706 0.813398137 0.964721923 3.08E-14 111874.6584 214034.4188 102159.7604 0.378300171 0.38275179 0.924153787 0.367975115 0.924071385 0.537439551 0.804954382 0.589366326 0.797263677 0.578321875 0.537439551 182317.3381 198716.8497 185720.5962 170429.3047 174228.8637 193278.6308 189118.923 129663.3029 220007.5075 173133.175 124049.2745 131938.7257 225968.9671 168345.0005 250028.2402 123634.866 172864.2694 213700.7753 210576.3718 185225.7161 181626.882 180642.8535 156258.1335 184788.5203 169166.4095 174798.8173 200979.0171 208241.3237 129179.8884 147837.4178 199907.824 246358.2432 217532.8031 171349.5575 195448.1579 221861.9016 153454.0275 176368.8763 165633.8784 168353.9837 144527.5148 142069.7318 183756.3554 222416.8018 182696.104 208146.8566 184779.5779 211329.6837 163151.2472 166308.7072 180093.9012 173524.1875 177741.7056 200289.9421 152495.8084 176844.9235 168689.8832 163607.4986 148026.2889 209492.4266 128136.742 181150.8636 166973.855 207448.6923 123665.9572 161800.3324 167554.3104 194827.2064 242099.5968 205478.4315 187961.5848 229656.3327 177527.0655 194308.1874 180282.2994 178882.8084 174228.9335 149356.6008 151389.2704 170041.0601 184362.8904 138965.9053 176623.4025 208551.8939 188354.5361 189873.6237 219048.6365 221012.7871 226375.468 191667.05 195005.272 167700.2486 173891.6629 192018.9456 164726.2336 177433.3178 195253.2925 143167.0095 110804.2167 182609.2806 158100.0851 157195.8651 198941.9246 176256.0465 197654.7556 194217.52 189553.8626 205399.4759 216088.5615 197630.4762 165594.4819 171174.9632 175085.7514 194783.2031 221701.3869 166100.7388 177609.1839 203258.5 170049.3262 173373.9467 163424.5783 134794.7772 220839.5246 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH2O)-(H2O)]- 1160 D-(-)-Ribose 150.05282342 C5H10O5 HMFHBZSHGGEWLO-SOOFDHNKSA-N 820 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.71]; fullscan high no curation splash10-0002-1900000000-9b213be273c27af7d445 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(C2H4O2)-(H2O)]- 1137 Myo-Inositol 180.063388104 C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N 839 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.83]; fullscan high no curation splash10-004i-0190000000-110084d49973c3a5d455 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(C2H4O2)]- 585 3-Hydroxy-3-methylglutaric acid 162.05282342 C6H10O5 NPOAOTPXWNWTSH-UHFFFAOYSA-N 850 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [3.2]; fullscan high no curation splash10-03di-0902000000-b4f781aae881fe69a0c6 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH2O)-(H2O)]- 1871 D-arabinopyranose 150.05282342 C5H10O5 SRBFZHDQGSBBOR-ZRMNMSDTSA-N 1274 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.68]; fullscan high no curation splash10-0002-0900000000-fb5363a1ff55afe520a5 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(C2H4O2)-(H2O)]- 1137 Myo-Inositol 180.063388104 C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N 1303 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.62]; fullscan high no curation splash10-004i-0190000000-110084d49973c3a5d455 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(H2O)-(CH2O)-(CO2)]- 1699 D-Galacturonic acid sodium salt 194.04265266 C6H10O7 IAJILQKETJEXLJ-RSJOWCBRSA-N 1343 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.85]; fullscan high no curation splash10-0006-0901000000-9f72a24cd90c9d012d46 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH3N)]- 1891 cis-4-Hydroxy-D-proline 131.058243153 C5H9NO3 PMMYEEVYMWASQN-QWWZWVQMSA-N 1349 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.01]; fullscan high no curation splash10-001i-0931100000-70099b94fd9470a21c63 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH2O)-(H2O)]- 1872 L-arabinopyranose 150.05282342 C5H10O5 SRBFZHDQGSBBOR-HWQSCIPKSA-N 1466 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.86]; fullscan high no curation splash10-0002-0900000000-1a0081781dd74fbb097b +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(C2H6O3)]- 1881 D-Mannose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N 1485 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.91]; fullscan high no curation splash10-004i-1960000000-4de452bf1662cb8ed1f2 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(C2H4O2)-(H2O)]- 1137 Myo-Inositol 180.063388104 C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N 1495 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.62]; fullscan high no curation splash10-004i-0190000000-110084d49973c3a5d455 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(C2H4O2)-(H2O)]- 1137 Myo-Inositol 180.063388104 C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N 1581 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.85]; fullscan high no curation splash10-004i-0190000000-110084d49973c3a5d455 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH3OH)]- 1158 2-Deoxy-D-ribose 134.0579088 C5H10O4 ASJSAQIRZKANQN-CRCLSJGQSA-N 1591 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.72]; fullscan high no curation splash10-004i-2900000000-b6c87a4c0b1a56a7b513 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(H2O)-(CH2O)-(CO2)]- 1699 D-Galacturonic acid sodium salt 194.04265266 C6H10O7 IAJILQKETJEXLJ-RSJOWCBRSA-N 1632 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.56]; fullscan high no curation splash10-0006-0901000000-9f72a24cd90c9d012d46 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(HCOOH)]- 1316 D-ribono-1,4-lactone 148.037173356 C5H8O5 CUOKHACJLGPRHD-BXXZVTAOSA-N 1920 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.9]; fullscan high no curation splash10-0006-0900000000-b5e71c01d7c8a8ac6363 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH3N)]- 1891 cis-4-Hydroxy-D-proline 131.058243153 C5H9NO3 PMMYEEVYMWASQN-QWWZWVQMSA-N 1945 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.84]; fullscan high no curation splash10-001i-0931100000-70099b94fd9470a21c63 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(C2H4O2)]- 585 3-Hydroxy-3-methylglutaric acid 162.05282342 C6H10O5 NPOAOTPXWNWTSH-UHFFFAOYSA-N 1969 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.95]; fullscan high no curation splash10-03di-0902000000-b4f781aae881fe69a0c6 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH2O)-(H2O)]- 1160 D-(-)-Ribose 150.05282342 C5H10O5 HMFHBZSHGGEWLO-SOOFDHNKSA-N 2014 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.91]; fullscan high no curation splash10-0002-1900000000-9b213be273c27af7d445 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH3N)]- 1891 cis-4-Hydroxy-D-proline 131.058243153 C5H9NO3 PMMYEEVYMWASQN-QWWZWVQMSA-N 2038 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.09]; fullscan high no curation splash10-001i-0931100000-70099b94fd9470a21c63 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(HCOOH)]- 1316 D-ribono-1,4-lactone 148.037173356 C5H8O5 CUOKHACJLGPRHD-BXXZVTAOSA-N 2182 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.83]; fullscan high no curation splash10-0006-0900000000-b5e71c01d7c8a8ac6363 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH2O)-(H2O)]- 1871 D-arabinopyranose 150.05282342 C5H10O5 SRBFZHDQGSBBOR-ZRMNMSDTSA-N 2197 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.92]; fullscan high no curation splash10-0002-0900000000-fb5363a1ff55afe520a5 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(C2H6O3)]- 1881 D-Mannose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N 2242 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.68]; fullscan high no curation splash10-004i-1960000000-4de452bf1662cb8ed1f2 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH2O)-(H2O)]- 1872 L-arabinopyranose 150.05282342 C5H10O5 SRBFZHDQGSBBOR-HWQSCIPKSA-N 2382 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.67]; fullscan high no curation splash10-0002-0900000000-1a0081781dd74fbb097b +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH3OH)]- 1158 2-Deoxy-D-ribose 134.0579088 C5H10O4 ASJSAQIRZKANQN-CRCLSJGQSA-N 2446 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.77]; fullscan high no curation splash10-004i-2900000000-b6c87a4c0b1a56a7b513 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(C2H4O)]- 1944 2-methylglutaric acid 146.0579088 C6H10O4 AQYCMVICBNBXNA-UHFFFAOYSA-N 2450 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.51]; fullscan high no curation splash10-0002-0900000000-5810db3d16ed1f38983f +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(H2O)-(CH2O)-(CO2)]- 1699 D-Galacturonic acid sodium salt 194.04265266 C6H10O7 IAJILQKETJEXLJ-RSJOWCBRSA-N 2483 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.84]; fullscan high no curation splash10-0006-0901000000-9f72a24cd90c9d012d46 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH2O)-(CO2)-(H2O)]- 1276 D-glucopyranuronic acid 194.04265266 C6H10O7 AEMOLEFTQBMNLQ-AQKNRBDQSA-N 2491 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.61]; fullscan high no curation splash10-0006-0901100000-8286807b1cd6e09f7e56 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(H2O)-(CH2O)-(CO2)]- 1699 D-Galacturonic acid sodium salt 194.04265266 C6H10O7 IAJILQKETJEXLJ-RSJOWCBRSA-N 2535 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.64]; fullscan high no curation splash10-0006-0901000000-9f72a24cd90c9d012d46 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH2O)-(H2O)]- 1160 D-(-)-Ribose 150.05282342 C5H10O5 HMFHBZSHGGEWLO-SOOFDHNKSA-N 2575 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.95]; fullscan high no curation splash10-0002-1900000000-9b213be273c27af7d445 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(C2H4O2)]- 585 3-Hydroxy-3-methylglutaric acid 162.05282342 C6H10O5 NPOAOTPXWNWTSH-UHFFFAOYSA-N 2615 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.02]; fullscan high no curation splash10-03di-0902000000-b4f781aae881fe69a0c6 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(C2H4O2)]- 585 3-Hydroxy-3-methylglutaric acid 162.05282342 C6H10O5 NPOAOTPXWNWTSH-UHFFFAOYSA-N 2775 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [2.41]; fullscan high no curation splash10-03di-0902000000-b4f781aae881fe69a0c6 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH2O)-(CO2)-(H2O)]- 1276 D-glucopyranuronic acid 194.04265266 C6H10O7 AEMOLEFTQBMNLQ-AQKNRBDQSA-N 2824 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.85]; fullscan high no curation splash10-0006-0901100000-8286807b1cd6e09f7e56 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH2O)-(CO2)-(H2O)]- 1276 D-glucopyranuronic acid 194.04265266 C6H10O7 AEMOLEFTQBMNLQ-AQKNRBDQSA-N 3005 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.55]; fullscan high no curation splash10-0006-0901100000-8286807b1cd6e09f7e56 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH3OH)]- 1158 2-Deoxy-D-ribose 134.0579088 C5H10O4 ASJSAQIRZKANQN-CRCLSJGQSA-N 3057 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.97]; fullscan high no curation splash10-004i-2900000000-b6c87a4c0b1a56a7b513 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH2O)-(H2O)]- 1871 D-arabinopyranose 150.05282342 C5H10O5 SRBFZHDQGSBBOR-ZRMNMSDTSA-N 3210 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.73]; fullscan high no curation splash10-0002-0900000000-fb5363a1ff55afe520a5 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(C2H6O3)]- 1881 D-Mannose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N 3235 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.62]; fullscan high no curation splash10-004i-1960000000-4de452bf1662cb8ed1f2 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(C2H4O)]- 1944 2-methylglutaric acid 146.0579088 C6H10O4 AQYCMVICBNBXNA-UHFFFAOYSA-N 3321 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [3.72]; fullscan high no curation splash10-0002-0900000000-5810db3d16ed1f38983f +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(C2H6O2)]- 1142 L-Fucose 164.068473484 C6H12O5 SHZGCJCMOBCMKK-DHVFOXMCSA-N 3376 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.0]; fullscan high no curation splash10-0a4i-0390000000-a418c1f42033b8223f06 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(C2H6O3)]- 1881 D-Mannose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N 3476 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.88]; fullscan high no curation splash10-004i-1960000000-4de452bf1662cb8ed1f2 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH2O)-(H2O)]- 1872 L-arabinopyranose 150.05282342 C5H10O5 SRBFZHDQGSBBOR-HWQSCIPKSA-N 3579 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.85]; fullscan high no curation splash10-0002-0900000000-1a0081781dd74fbb097b +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(CH2O)-(CO2)-(H2O)]- 1276 D-glucopyranuronic acid 194.04265266 C6H10O7 AEMOLEFTQBMNLQ-AQKNRBDQSA-N 3616 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.85]; fullscan high no curation splash10-0006-0901100000-8286807b1cd6e09f7e56 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.024419 [(M-H)-(C2H6O2)]- 1142 L-Fucose 164.068473484 C6H12O5 SHZGCJCMOBCMKK-DHVFOXMCSA-N 3708 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.8]; fullscan high no curation splash10-0a4i-0390000000-a418c1f42033b8223f06 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.02442 [(M-H)-(C2H6O3)]- 1143 D-Fructose 180.063388104 C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N 1230 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.98]; fullscan high no curation splash10-004i-2950000000-5039fb1040b5ff09ac79 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.02442 [(M-H)-(C2H6O2))- 1882 Allose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-IVMDWMLBSA-N 1740 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.92]; fullscan high no curation splash10-004i-2970000000-d26bf81db0d0a4b45bde +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.02442 [(M-H)-(C2H6O3)]- 1143 D-Fructose 180.063388104 C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N 1750 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.71]; fullscan high no curation splash10-004i-2950000000-5039fb1040b5ff09ac79 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.02442 [(M-H)-(C2H6O3)]- 1880 D-Galactose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-PHYPRBDBSA-N 2025 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.66]; fullscan high no curation splash10-004i-2890000000-6264130777d956bd9378 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.02442 [(M-H)-(C2H6O2))- 1882 Allose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-IVMDWMLBSA-N 2284 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.66]; fullscan high no curation splash10-004i-2970000000-d26bf81db0d0a4b45bde +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.02442 [(M-H)-(C2H6O3)]- 1880 D-Galactose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-PHYPRBDBSA-N 2315 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.67]; fullscan high no curation splash10-004i-2890000000-6264130777d956bd9378 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.02442 [(M-H)-(C2H4O2)-(H2O)]- 1879 D-Glucose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N 2529 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.65]; fullscan high no curation splash10-004i-0690000000-c3e4b18676598cbf268f +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.02442 [(M-H)-(C2H4O2)-(H2O)]- 1879 D-Glucose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N 2647 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.93]; fullscan high no curation splash10-004i-0690000000-c3e4b18676598cbf268f +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.02442 [(M-H)-(C2H4O2)-(H2O)]- 1879 D-Glucose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N 3085 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.71]; fullscan high no curation splash10-004i-0690000000-c3e4b18676598cbf268f +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.02442 [(M-H)-(C2H6O3)]- 1880 D-Galactose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-PHYPRBDBSA-N 3126 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.9]; fullscan high no curation splash10-004i-2890000000-6264130777d956bd9378 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.02442 [(M-H)-(C2H6O2))- 1882 Allose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-IVMDWMLBSA-N 3295 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.77]; fullscan high no curation splash10-004i-2970000000-d26bf81db0d0a4b45bde +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.02442 [(M-H)-(C2H4O2)-(H2O)]- 1879 D-Glucose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N 3327 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.98]; fullscan high no curation splash10-004i-0690000000-c3e4b18676598cbf268f +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.02442 [(M-H)-(C2H6O2))- 1882 Allose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-IVMDWMLBSA-N 3358 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.87]; fullscan high no curation splash10-004i-2970000000-d26bf81db0d0a4b45bde +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.02442 [(M-H)-(C2H6O3)]- 1143 D-Fructose 180.063388104 C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N 3508 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.93]; fullscan high no curation splash10-004i-2950000000-5039fb1040b5ff09ac79 +M101T56 M101.0244T0.93 101.0243501 101.0240133 101.0249469 0.933660176 0.77171625 1.237266888 0 270 0 261 [M-H-COCH2]- 144.042 48 320.6955752 60.29220725 0 1 1 0.253656644 0.219409863 1 2572.349828 652.4936242 0.253656644 2720.980314 597.0099174 0.219409863 0.864987644 0.971531201 3.01E-15 1678.13296 4240.759978 2562.627018 1.40E-07 1.16E-07 0.79145929 1.58E-07 0.799360927 0.964335055 5.00E-05 0.025433709 6.12E-05 0.028912115 0.964335055 2582.166909 2225.853653 2523.425974 2369.965522 4216.376236 2068.78855 2255.633594 1886.794641 2527.409315 2628.340346 2302.631137 2956.767331 1941.164705 2732.513448 3174.652305 3826.582521 3987.169982 1959.677042 3035.127572 1748.276593 2687.56063 2163.998588 2553.755655 2200.240815 3732.262776 1880.71528 2501.27664 1875.203749 3284.103173 2230.187642 2313.555089 1803.242854 3823.578961 2209.649241 1846.680417 2682.939001 2502.462109 2140.142611 2382.498975 2208.285123 2037.490532 2214.545239 2852.735499 2688.881703 2679.355329 2032.527294 2212.187536 2827.649707 2518.663651 2767.588563 2761.077081 2267.845046 3231.85627 2245.551523 2662.161524 3103.418754 3631.498677 2227.300791 3148.374166 2423.523432 2108.77054 4271.911596 1988.904462 2411.994595 2271.307719 2359.010469 2524.402107 2979.498634 2411.790337 1931.9138 4045.239768 4388.306279 2955.476315 2015.027015 2272.909103 2238.316445 2756.880989 2386.800849 2329.575212 4533.543194 2842.605434 2315.184858 1821.374482 2334.123253 2239.442843 2231.646236 2446.431273 1763.831817 3345.983218 3202.495869 2922.47933 1619.874484 3498.761223 3138.402952 1997.688112 2607.087471 3214.389372 2326.514996 3204.253027 2638.516283 5241.791328 2155.291827 2225.196691 2920.623591 2768.569227 2293.702023 2193.460871 2797.867535 2825.614036 1706.067829 1857.521977 1961.170756 2306.692613 2196.369085 1637.329604 3599.650256 2649.753708 2610.245418 2053.620517 3675.706491 3113.126719 2323.854622 2550.538273 No_result_found_in_bank_inhouse 101.02442 [(M-H)-(C2H6O3)]- 1143 D-Fructose 180.063388104 C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N 3655 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.67]; fullscan high no curation splash10-004i-2950000000-5039fb1040b5ff09ac79 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.0560518 [M-H-CO2]- 1843 Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N 81 null; LC-ESI-NA; MS; NEGATIVE; 2017-01-01; 2.5kV; Acquity UPLC HSS T3; [0.86]; fullscan high no curation splash10-0f6t-0900000000-37c2cb2ca9e00539ca35 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)-(CO2)]- 1844 D-Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-GSVOUGTGSA-N 969 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.9]; fullscan high no curation splash10-0002-0930000000-4192eded7a16720fbdc0 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)]- 1931 N,N-Dimethylglycine 103.063328533 C4H9NO2 FFDGPVCHZBVARC-UHFFFAOYSA-N 989 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.1]; fullscan high no curation splash10-0udi-0900000000-add36f055570ba48e937 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)-(CH2N2)]- 411 4-guanidinobutanoic acid 145.085126607 C5H11N3O2 TUHVEAJXIMEOSA-UHFFFAOYSA-N 1050 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [6.83]; fullscan high no curation splash10-0006-0931000000-1767caacbbc5f4c8d5c8 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)-(CO2)]- 1843 Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N 1105 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.19]; fullscan high no curation splash10-0002-0902000000-a1b9a51c5f1d4a2dc21b +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)]- 516 2-aminoisobutyric acid 103.063328533 C4H9NO2 FUOOLUPWFVMBKG-UHFFFAOYSA-N 1120 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.86]; fullscan high no curation splash10-0udi-0910000000-54bd63ac2da68508375c +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)]- 166 3-aminoisobutyric acid 103.063328533 C4H9NO2 QCHPKSFMDHPSNR-UHFFFAOYSA-N 1154 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.86]; fullscan high no curation splash10-0udi-0900000000-50cfee721555c73f175f +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)]- 166 3-aminoisobutyric acid 103.063328533 C4H9NO2 QCHPKSFMDHPSNR-UHFFFAOYSA-N 1353 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.9]; fullscan high no curation splash10-0udi-0900000000-50cfee721555c73f175f +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)]- 165 4-aminobutyric acid 103.063328533 C4H9NO2 BTCSSZJGUNDROE-UHFFFAOYSA-N 1538 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [3.97]; fullscan high no curation splash10-05fr-0948210000-4ffd5e1235244d31da68 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)-(C2H2O)]- 2018 4-Acetamidobutyric acid 145.073893217 C6H11NO3 UZTFMUBKZQVKLK-UHFFFAOYSA-N 1560 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.2]; fullscan high no curation splash10-0006-0900000000-4128caded18317f1c403 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)-(CO2)]- 1843 Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N 1580 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.89]; fullscan high no curation splash10-0002-0902000000-a1b9a51c5f1d4a2dc21b +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)-(C2H2O)]- 2018 4-Acetamidobutyric acid 145.073893217 C6H11NO3 UZTFMUBKZQVKLK-UHFFFAOYSA-N 1612 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.43]; fullscan high no curation splash10-0006-0900000000-4128caded18317f1c403 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)-(CH2N2)]- 411 4-guanidinobutanoic acid 145.085126607 C5H11N3O2 TUHVEAJXIMEOSA-UHFFFAOYSA-N 1786 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.06]; fullscan high no curation splash10-0006-0931000000-1767caacbbc5f4c8d5c8 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)]- 2086 L-alpha-aminobutyric acid 103.063328533 C4H9NO2 QWCKQJZIFLGMSD-VKHMYHEASA-N 1792 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.88]; fullscan high no curation splash10-0udi-0900000000-1350efbed8eca42ca27c +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)-(CO2)]- 1203 N-methyl-D-aspartic acid 147.053157773 C5H9NO4 HOKKHZGPKSLGJE-GSVOUGTGSA-N 1806 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.86]; fullscan high no curation splash10-0002-0901000000-129a3b562f5f131bc2ef +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)-(CO2)]- 1203 N-methyl-D-aspartic acid 147.053157773 C5H9NO4 HOKKHZGPKSLGJE-GSVOUGTGSA-N 1970 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.9]; fullscan high no curation splash10-0002-0901000000-129a3b562f5f131bc2ef +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)-(CO2)]- 1844 D-Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-GSVOUGTGSA-N 2229 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.88]; fullscan high no curation splash10-0002-0930000000-4192eded7a16720fbdc0 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)-(CO2)]- 1843 Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N 2275 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.31]; fullscan high no curation splash10-0002-0902000000-a1b9a51c5f1d4a2dc21b +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)-(CH2N2)]- 411 4-guanidinobutanoic acid 145.085126607 C5H11N3O2 TUHVEAJXIMEOSA-UHFFFAOYSA-N 2277 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.29]; fullscan high no curation splash10-0006-0931000000-1767caacbbc5f4c8d5c8 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)]- 165 4-aminobutyric acid 103.063328533 C4H9NO2 BTCSSZJGUNDROE-UHFFFAOYSA-N 2368 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.9]; fullscan high no curation splash10-05fr-0948210000-4ffd5e1235244d31da68 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)]- 516 2-aminoisobutyric acid 103.063328533 C4H9NO2 FUOOLUPWFVMBKG-UHFFFAOYSA-N 2514 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [3.03]; fullscan high no curation splash10-0udi-0910000000-54bd63ac2da68508375c +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)-(CO2)]- 1844 D-Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-GSVOUGTGSA-N 2638 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.31]; fullscan high no curation splash10-0002-0930000000-4192eded7a16720fbdc0 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)]- 2086 L-alpha-aminobutyric acid 103.063328533 C4H9NO2 QWCKQJZIFLGMSD-VKHMYHEASA-N 2683 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.88]; fullscan high no curation splash10-0udi-0900000000-1350efbed8eca42ca27c +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)]- 1931 N,N-Dimethylglycine 103.063328533 C4H9NO2 FFDGPVCHZBVARC-UHFFFAOYSA-N 2689 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.84]; fullscan high no curation splash10-0udi-0900000000-add36f055570ba48e937 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)]- 165 4-aminobutyric acid 103.063328533 C4H9NO2 BTCSSZJGUNDROE-UHFFFAOYSA-N 2804 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.24]; fullscan high no curation splash10-05fr-0948210000-4ffd5e1235244d31da68 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)]- 1931 N,N-Dimethylglycine 103.063328533 C4H9NO2 FFDGPVCHZBVARC-UHFFFAOYSA-N 2870 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.07]; fullscan high no curation splash10-0udi-0900000000-add36f055570ba48e937 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)]- 2086 L-alpha-aminobutyric acid 103.063328533 C4H9NO2 QWCKQJZIFLGMSD-VKHMYHEASA-N 2911 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.91]; fullscan high no curation splash10-0udi-0900000000-1350efbed8eca42ca27c +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)]- 1931 N,N-Dimethylglycine 103.063328533 C4H9NO2 FFDGPVCHZBVARC-UHFFFAOYSA-N 2988 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.84]; fullscan high no curation splash10-0udi-0900000000-add36f055570ba48e937 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)-(CH2N2)]- 411 4-guanidinobutanoic acid 145.085126607 C5H11N3O2 TUHVEAJXIMEOSA-UHFFFAOYSA-N 3001 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.05]; fullscan high no curation splash10-0006-0931000000-1767caacbbc5f4c8d5c8 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)-(CO2)]- 1844 D-Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-GSVOUGTGSA-N 3050 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.31]; fullscan high no curation splash10-0002-0930000000-4192eded7a16720fbdc0 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)]- 516 2-aminoisobutyric acid 103.063328533 C4H9NO2 FUOOLUPWFVMBKG-UHFFFAOYSA-N 3059 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.89]; fullscan high no curation splash10-0udi-0910000000-54bd63ac2da68508375c +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)]- 2086 L-alpha-aminobutyric acid 103.063328533 C4H9NO2 QWCKQJZIFLGMSD-VKHMYHEASA-N 3124 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.87]; fullscan high no curation splash10-0udi-0900000000-1350efbed8eca42ca27c +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)-(C2H2O)]- 2018 4-Acetamidobutyric acid 145.073893217 C6H11NO3 UZTFMUBKZQVKLK-UHFFFAOYSA-N 3682 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.02]; fullscan high no curation splash10-0006-0900000000-4128caded18317f1c403 +M102T55 M102.056T0.91 102.0559903 102.0554623 102.056442 0.912970761 0.893390481 0.926471216 0 115 0 115 45 Inf 39.42968113 0 0 1 0.467744423 0.115590658 1 3223.977932 1507.997697 0.467744423 3070.882502 354.9653287 0.115590658 0.247123541 0.971587248 2.94E-15 2382.84891 4011.857434 1629.008524 0.000237133 0.000170063 0.715391897 0.00017243 0.695696123 0.935378395 0.000440936 0.319390338 0.000516436 0.323547575 0.935378395 1548.29251 1780.470549 6175.550779 1879.754847 2217.444192 2228.836444 1582.349143 890.0294322 3074.751211 2713.294189 3494.077642 4121.584817 2711.940415 2804.77772 3136.327608 2880.479158 5803.343903 1196.563389 4634.966696 2312.527931 1572.518993 2624.1686 3944.511928 3456.678655 2897.267136 4396.005476 2475.218285 3381.796798 3156.040574 1978.448817 3965.4348 5205.998479 3018.741984 4641.573919 5327.623871 5311.205798 6209.110642 6643.390581 1575.822604 2099.995602 4296.633894 8194.907924 3907.071 5032.044757 4075.555177 2469.866445 3951.119151 4353.470173 5986.680974 8099.353777 5703.134359 2864.231023 3448.970228 3165.535567 2828.862398 4827.677357 7885.137161 4484.015308 1762.700045 6770.681487 3249.614621 7961.703305 2294.523214 4113.487039 2594.95213 2257.741768 1453.588985 1724.485114 2571.192398 2870.838246 3872.933682 3458.507373 2221.960579 3326.736609 3518.346066 2363.183305 1724.485114 1494.333525 2285.048465 4504.760669 3242.120756 2212.511753 2967.744178 1829.598138 2088.983564 3211.850794 1171.016599 2025.153743 4384.233117 2137.43653 2373.094139 2184.468443 1761.926043 5724.401315 2600.279485 2015.202911 1780.646507 6132.439804 3870.858684 3254.774894 3671.413391 2973.250197 3507.334029 2438.065162 3239.741511 3612.508418 3418.136523 2371.675386 5793.020786 2764.021479 1819.7102 4774.819576 3056.593544 2836.060113 2383.803226 2073.566711 4354.885909 2509.60065 2823.486483 3237.539103 3314.478639 2233.670832 1804.700509 0.0000903#102.0559#0.052970761#0.86#L-Glutamic acid frag 2 [M-H-CO2]-##C4H8NO2#102.0560518#58.62#102.0559#0.86#-1.487417917 102.056053 [(M-H)]- 166 3-aminoisobutyric acid 103.063328533 C4H9NO2 QCHPKSFMDHPSNR-UHFFFAOYSA-N 3711 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.83]; fullscan high no curation splash10-0udi-0900000000-50cfee721555c73f175f +M109T54 M108.9018T0.91 108.901834 108.9015097 108.9022518 0.907827918 0.882608587 0.926471216 0 270 0 270 [M-H]- 109.907 [2M-3H]3- 164.856 45 202.7364052 44.28468455 0 1 1 0.15580707 0.102341202 1 5292.411059 824.5950597 0.15580707 4911.648756 502.6640356 0.102341202 0.656845686 0.973587696 1.33E-15 3964.829968 6274.78069 2309.950722 0.000131485 0.000138533 0.907981747 0.00015843 0.905542086 0.996694631 0.111794976 0.041253508 0.119568612 0.046928505 0.996694631 5838.743337 5469.182623 5197.869237 4415.338757 5860.733401 4323.551052 5165.565243 3484.146272 3767.218452 5293.208322 4917.10002 5122.95772 5141.787445 5259.43899 5518.128965 5101.454693 6315.74013 4521.185993 4778.341751 3836.828251 6012.907138 4186.70796 5219.614498 4452.75502 7190.860999 4075.987318 5597.942092 5182.446621 5866.163742 6014.525501 5039.261109 5491.141113 6448.218099 4686.174151 5410.12734 5404.427468 5155.984156 5818.317644 4654.899562 6107.460579 4326.469793 5945.444687 4126.739057 6116.708825 4983.881798 4626.066297 6217.988577 4163.712025 4904.584678 5417.113299 4427.47175 6800.0505 5553.645623 4997.259932 5005.009988 6207.019527 5462.355247 4981.924453 6420.539657 6249.327311 6128.49383 6555.937957 5495.166053 5304.955381 5482.282959 5297.270513 6856.161009 4110.969907 4231.222141 4739.264696 8475.29639 7499.430572 5831.624392 5522.767532 4654.545832 5031.147805 4868.6021 4538.044193 4815.594406 5204.803632 7290.55439 5164.097006 4188.781122 4015.578167 4658.721583 6439.30199 5267.322481 5244.332504 7503.869104 5625.105696 5284.427406 4448.605687 4972.906928 5690.053812 4736.086012 4682.200302 5256.155444 5162.071968 5393.712365 5126.108142 8469.681729 3992.985267 5487.088729 6096.478175 5192.081337 3959.649258 5384.613456 4705.524843 4343.693304 5403.969936 4586.745563 4218.754028 4824.414774 5883.91421 4991.386117 4989.282101 5707.32354 6079.735636 5186.205715 6600.290082 5690.384648 5975.411744 6108.722861 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M111T55 M110.899T0.91 110.899018 110.8984583 110.8993626 0.908387293 0.882608587 0.926481948 0 253 0 253 [M+Cl]- 75.934 45 397.6935431 42.38811899 0 1 1 0.159709618 0.112030049 1 3756.974107 600.0249013 0.159709618 3569.614654 399.9041049 0.112030049 0.701460877 0.968406692 9.32E-15 2742.3692 4714.5825 1972.2133 0.006952268 0.006699686 0.787240672 0.00630681 0.792975851 0.895228214 0.020138886 0.453568585 0.020691996 0.450570565 0.895228214 3774.273789 3808.035832 3493.368562 3167.372646 3911.189279 3071.970042 3302.749088 3210.471747 3512.70336 3600.544812 3086.179949 4214.339391 3429.814358 4086.355651 3553.571348 4392.505592 3732.230242 3130.977881 3524.759156 2370.792624 3395.220034 3254.569664 3846.901093 3287.105699 4534.593341 2646.104138 3880.938378 3718.952716 4115.198369 3961.928378 3597.835353 3739.424696 4767.383718 3834.80286 3371.804528 4278.594742 2845.358841 3944.544917 3368.024435 3790.813051 3223.504976 4357.980743 3734.147526 4445.527867 3197.884478 3634.4365 3638.174181 3283.626589 4109.073099 4513.65945 3918.583436 3920.022433 2865.219236 2656.399669 3494.823343 4154.520572 3987.917793 3634.685532 3892.205306 3403.6808 3674.455657 5280.863463 3985.318601 3999.977266 3910.975417 3737.318269 3685.4327 2902.589591 3201.44769 4101.286646 6552.216703 4326.699518 3582.81409 3206.491829 3363.910046 3873.459454 4096.501128 3860.371314 3911.756947 3963.058869 4723.741682 3539.622538 3037.543668 3215.313923 4315.506885 4834.865791 3716.412905 3942.286488 4823.256402 4057.189507 3860.037924 3150.605826 3937.87307 4343.232659 3943.189119 3479.428384 3540.476098 3157.170808 4614.592108 2995.171853 6201.503845 3027.261537 3914.29652 4641.396272 3384.593477 3514.229832 3304.429601 3141.193399 3849.351594 3772.79041 3594.841224 3037.099858 4007.048526 3514.2922 3689.156353 3352.655115 3981.543497 4343.534689 3933.159668 5103.857338 3933.632768 3678.388192 4162.384385 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M113T55 M112.8963T0.91 112.8963412 112.8954733 112.8970547 0.908404918 0.857207356 0.926481948 0 137 0 137 [3M-2H]2- 75.934 [M-H+Cl]2- 191.841 [M-2H]2- 227.819 45 43.50952723 33.6323776 0 1 1 0.22628706 0.20944969 1 795.0259835 179.9040926 0.22628706 802.3571693 168.0534601 0.20944969 0.925592871 0.9831513 9.90E-18 439.9161727 1244.968316 805.052143 0.447293743 0.437791455 0.715391897 0.435286281 0.695696123 0.843428085 0.105588185 0.902843964 0.098405971 0.901901873 0.843428085 799.0869131 636.644564 716.6493899 560.3486364 801.690367 892.9921782 521.6648381 1066.155298 744.0661659 504.5788918 1184.583223 747.4574669 842.2072533 775.936639 625.1073266 928.0275974 1070.856699 701.9073804 1156.53256 484.2496776 746.9188157 714.1279484 509.9207588 534.3632498 1203.245794 927.1983975 900.4607792 861.7779449 524.8507459 742.1549517 632.142353 828.2091836 562.1178229 887.1747823 833.1777224 795.2389112 724.5839378 724.5857509 665.2427028 777.1305405 825.764389 685.036877 785.4814957 551.7723412 696.3405585 1170.816751 1057.612705 1120.791565 566.3446979 753.7434614 853.3640379 700.3188632 711.5500741 481.8045983 900.8068154 942.0684335 871.7971628 676.7977655 667.6227086 564.8136636 654.6653613 1017.658355 924.2972081 592.9133169 650.1360284 1033.438967 1015.456733 407.0490824 624.1109513 668.2411666 1310.82207 1061.540187 745.072502 861.6001 685.7869146 812.6609383 788.2954313 490.4388541 823.3237186 852.9687789 1153.956539 597.6134982 821.0053788 934.3851373 986.3140089 952.2800776 796.0685632 711.0504299 973.4292399 863.8567328 1043.525474 699.9212216 851.7837919 782.3313266 895.2044199 651.5153025 870.9049421 706.7853693 868.263218 797.6439196 1505.252038 732.2000071 786.2592312 797.8329177 720.5503877 763.7418046 794.831124 700.638376 590.6668457 719.0367311 925.2256512 812.7836172 1155.685055 676.9098076 796.8409927 967.8864738 688.7528914 1212.741628 905.1815164 754.8814637 611.3438106 785.1393054 787.393686 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M113T933 M112.9856T15.55 112.9856013 112.9850225 112.9862194 15.55287659 15.53562865 15.73840108 0 451 0 339 [4][M]- [M+Cl]- 78.0162 [M-H]- 113.993 30 4.858065611 74.09318245 0 1 1 0.07380238 0.04638585 1 22847.42761 1686.194541 0.07380238 22834.59638 1059.202157 0.04638585 0.628514278 0.944593896 4.02E-12 20935.8179 26809.10749 5873.289583 0.154148882 0.154144913 0.828852751 0.158401013 0.82588821 0.964232653 0.278323378 0.714738596 0.281762159 0.719172948 0.964232653 22196.29698 23091.84552 22914.67636 21415.56297 22215.26862 22909.28332 25152.18576 23889.21425 22334.2612 21959.75752 22244.05885 21759.15697 21401.69362 19543.93027 21040.49327 24658.25199 18953.86963 22155.70698 23865.30088 23535.69006 25038.95555 23485.91677 23093.19753 20205.8641 23054.94154 22763.51971 25153.50576 22889.46547 23214.11722 18264.72794 22606.75221 22997.22159 19968.81366 22287.5674 22036.95502 22082.76454 21457.91481 24654.12086 22208.25571 22312.07906 22780.38953 21249.15781 22090.56167 23060.12281 21548.82305 24884.38125 22739.7979 20013.86556 23422.86406 22878.68027 23828.2468 22496.14823 20898.25799 23537.64453 20466.92064 22755.81543 21808.53297 22056.37634 22798.66654 24077.84458 22707.28352 22769.75008 23914.89561 23861.96799 25933.33849 22412.81378 24457.44543 22121.86805 26019.74319 23354.77593 23547.74381 22041.26422 22571.6561 23482.25751 20845.94373 23842.81533 24064.89192 24263.13591 24198.89334 21871.48781 22809.9908 24912.277 23643.02685 23067.07763 21315.40535 21856.72648 25253.63304 22127.29483 23048.98051 20608.21547 21005.64435 24044.37856 19524.69841 21829.4334 24714.34336 23194.78859 23628.86187 24945.9144 20785.72348 25051.48236 21794.82567 22771.98806 23782.18467 18691.17194 20727.26305 24499.98315 22605.22749 23685.30454 22386.66893 21162.61192 24858.41979 24579.06625 23128.80402 24569.48551 22300.42489 22863.50821 20893.02514 23408.91569 21093.19338 21541.90655 22746.87665 25408.83875 24605.50232 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M113T880 M112.9856T14.67 112.9856032 112.9850871 112.9861637 14.67370745 14.65413326 14.69484119 0 339 0 339 [6][M]- [M-H]- 113.991 20 6.711453491 69.11673409 5.55E-15 0 1 0.062071616 0.045154898 1 22940.0073 1423.923322 0.062071616 22859.62147 1032.223885 0.045154898 0.727464522 0.83497518 3.89E-07 20419.1302 25539.8372 5120.707004 0.325371266 0.325194372 0.828852751 0.321388948 0.82588821 0.860152552 0.448077924 0.640122634 0.440657879 0.635701581 0.860152552 23279.70472 23463.59389 24378.27419 21447.02502 20058.34629 22630.73882 22785.04042 21671.47589 22601.78684 23190.36487 24469.68696 21376.90748 22841.74812 23029.71821 23171.37288 23452.24523 22704.46135 21430.66048 22633.85386 21832.25118 23025.31009 22197.74877 22404.37951 25460.23014 23610.93691 25613.90526 21960.58935 23542.40611 24823.74862 22452.32114 21565.3964 22754.42231 20695.82242 22101.18265 23647.279 22757.88235 23198.28942 23887.17531 24236.02087 22939.12742 22293.96167 20833.30236 24850.72137 21686.53508 23569.4031 20817.95932 24304.55167 20393.26016 21529.89592 24470.68694 24133.22467 23438.57157 21285.04313 22451.26561 22309.11964 23176.90852 21463.97252 21316.75688 21031.87199 23249.95559 22458.3872 22833.21618 22274.28672 21132.71986 23080.56 23792.188 24512.22075 24577.63652 22750.5108 21347.34386 22660.85084 21474.06379 21374.97811 24620.20868 22156.21496 23159.25665 24054.31042 23070.99729 21087.5818 23177.38137 20875.13516 22987.88034 25093.6942 22899.21266 21233.12586 22334.35737 25219.71545 22667.38343 23446.9617 21945.43083 21499.98064 25873.54471 22639.04558 21160.02385 20984.27828 24601.51846 23141.60478 21561.59389 22009.60152 23570.72609 23084.49578 22704.46135 21407.56789 22098.06761 23456.22344 22447.41243 25499.68727 23830.49036 21732.26742 21664.03922 22560.15887 22855.02143 21783.46733 23184.52982 22127.0099 21557.08964 21634.37674 21394.1619 24566.21472 21777.21887 22395.02498 22665.36717 23079.39395 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M113T999 M112.9856T16.66 112.9855982 112.9849799 112.9861849 16.65571589 16.51368954 16.86014916 0 343 1 339 [7][M]- [M+Cl]- 78.0162 [M-H]- 113.993 39 3.963456684 63.08492156 6.66E-16 0 1 0.067832661 0.050491773 1 29517.89351 2002.277277 0.067832661 29316.98442 1480.266531 0.050491773 0.744357839 0.922251322 1.50E-10 26418.11175 34309.07704 7890.96529 0.365228928 0.364966989 0.825939361 0.367975115 0.818499383 0.986233118 0.619835123 0.443813322 0.625982701 0.450570565 0.986233118 27800.87091 28393.13677 33222.97046 31441.64954 25479.76082 27113.465 27326.50094 29064.36255 30600.22107 27834.90872 30045.07925 29382.77561 29642.178 27749.18884 28261.05249 29488.22098 29378.44274 27838.66948 31314.05909 29917.48766 28281.56051 30242.89276 28902.69851 32747.22623 30645.44557 31880.79806 32041.62511 27649.5427 31481.23083 27966.28542 29594.06071 29930.33837 27527.12124 26580.35452 30423.89317 29824.10427 29024.19306 28096.23919 30067.8268 29082.70984 30218.98918 29043.64526 32719.53218 31446.13243 29477.35007 29586.98571 29770.11575 30203.19465 27634.75105 31478.24525 29430.86362 31934.20802 29758.24687 30050.50082 28509.35107 32197.3015 27246.49904 28420.9146 28893.1995 27940.93903 27477.17015 29780.00648 29875.86757 30145.73844 29605.50253 28180.86384 31468.35452 30776.99232 31020.17279 26670.36018 29723.6293 28231.86482 28966.96726 32704.69608 26220.33185 27944.28653 30169.70134 33271.43505 29564.24876 27337.3342 26893.55473 30405.89148 32273.46014 29776.15536 27495.24727 29848.38027 30001.05769 29975.49968 28444.70861 29623.73291 28119.35249 29617.66801 25517.10077 28433.00936 30246.6532 27727.67949 28339.91583 30334.3067 24894.57849 29016.70872 31431.75881 28360.68637 27899.77823 28978.85715 29957.05059 28927.85871 30329.93121 29071.60545 29156.29733 28513.00365 29365.60751 26914.66127 28235.69179 28217.03386 29065.11583 30004.52611 25887.56372 27555.77318 31625.61716 30207.28612 28583.92553 30941.4096 29437.81835 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M113T895 M112.9856T14.91 112.9855983 112.9850708 112.9861614 14.91051577 14.89288162 14.9251774 0 306 0 306 68 3.995794529 35.46539681 3.20E-12 1 1 0.169443987 0.061697446 1 14751.87953 2499.617288 0.169443987 14377.85584 887.0769869 0.061697446 0.364117058 0.985234417 2.34E-18 12574.16557 16578.908 4004.74243 0.546137033 0.548659295 0.828852751 0.54588624 0.82588821 0.926511606 0.453678077 0.902843964 0.457006051 0.905553463 0.926511606 11572.27206 13201.93364 17220.549 14604.01581 15083.55405 10757.77438 12736.46767 15473.82477 15799.839 11322.01008 12472.74064 14047.86193 11726.61642 11982.11061 10329.6191 15972.45526 10782.35859 12136.83599 17437.07261 19206.70026 15646.5493 17357.37966 14422.12679 15256.41172 16059.75008 14350.53431 16050.00363 15299.08856 15599.62021 9217.055032 13877.7288 15436.47378 9855.050799 10878.51317 16128.15421 12799.00003 15329.61519 13808.15252 15609.88306 11848.62617 14938.78451 16455.1376 14058.32741 14298.09373 15881.20462 13930.52119 13243.83619 14356.70657 14276.53977 12136.29366 11914.75458 12647.7228 14848.53002 18953.05775 11126.47149 13663.97343 11141.45771 16682.75158 16720.54984 18816.09434 14426.19682 18364.62273 14567.51735 15768.51882 20297.83666 15244.56015 17907.43845 12553.39771 14536.0731 12711.72113 10101.34815 11826.64075 15414.94921 15388.11971 10639.32864 14342.4398 15712.83679 18609.4458 14256.25612 13639.05137 15763.66272 13597.4741 15394.06794 14612.36584 15942.42848 15897.55031 14690.7472 12007.02444 12699.04676 11239.64525 11598.33512 15902.76555 7992.130743 15259.49439 17881.34691 10709.63352 14995.74262 15895.35272 12167.09624 13586.59231 10963.56085 15984.73962 12054.80881 14218.46915 13912.00249 18196.25946 13278.11972 17068.22578 15233.27706 11277.70876 15193.8974 13967.9056 18146.74689 18054.42168 14417.92127 14869.58944 13482.7335 13794.24182 11506.37163 14532.66357 17091.16522 20545.34654 15728.12298 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M113T710 M112.9856T11.83 112.9855783 112.9848021 112.98627 11.82555315 11.17250311 12.11360869 0 181 0 135 138 4.294098433 14.52122256 1.70E-06 0 0 0.390600096 0.187419219 1 3037.312981 1186.374741 0.390600096 2922.564377 547.7447335 0.187419219 0.479823792 0.829195716 5.52E-07 759.449809 3929.700141 3170.250332 0.925709887 0.923406161 0.74917679 0.924732655 0.735276384 0.989742727 0.448077924 0.676135856 0.448648926 0.679778253 0.989742727 3672.307412 2433.079574 2287.910341 2761.940691 3913.250914 3546.660813 4235.36074 3826.012836 600.1212818 3942.01072 3396.533069 4512.413536 2807.91571 4680.17907 1926.906991 3072.505924 462.6079321 3387.905128 3419.871972 1753.341175 551.7027931 3676.876379 3583.212551 628.2329942 3081.768397 3745.410887 2745.602797 269.5690666 2763.817341 3229.726195 2458.10437 2920.078953 2202.042467 3021.229581 3876.768695 1736.133612 2665.075341 3185.627827 3437.005599 3137.738246 3712.890934 3679.337827 3393.600411 1762.017438 2846.466585 639.4263498 3432.436632 3833.682118 3171.247924 4444.462874 4176.036049 3235.971041 5387.954607 2753.272079 2819.419632 3357.048673 2143.564195 3346.682739 2997.730428 3302.58437 3712.890934 3449.570259 2579.754584 2897.071108 3776.162506 3346.682739 1090.840926 185.0431728 4339.854701 3767.113482 3513.5358 4239.19538 2892.277807 1201.638382 3682.587588 3960.152347 3041.789934 4604.376727 3070.588603 3266.155283 3586.347788 3437.755458 4664.915543 3705.221652 3703.147941 548.3536313 3136.736157 1326.785709 485.0820584 522.0045061 3765.97124 3366.814603 4574.67844 3900.788332 476.4541167 2988.104569 926.358106 3264.237962 3671.668545 4433.8034 2358.729333 2665.992379 3780.820383 3460.992677 4165.755873 1265.431457 4212.587787 3973.646506 2366.93202 1307.86687 2655.488739 3920.173884 4009.116934 1332.53767 3252.73404 2984.677844 574.2374565 691.1940003 3101.186508 4669.48451 3140.570797 3191.379788 581.9067381 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M113T49_2 M113.3204T0.81_2 113.3203858 113.3110324 113.3211598 0.81226 0.788866667 0.824040621 0 154 0 154 [M-H]- 114.326 16 68.80805615 66.37298704 0 1 1 0.182195104 0.153855534 1 967.4179161 176.2588083 0.182195104 986.9713375 151.8510021 0.153855534 0.844454819 0.843141647 2.31E-07 634.7497828 1292.626678 657.8768953 0.926177794 0.926077821 0.924186736 0.925399206 0.926604696 0.926511606 0.91677177 0.902843964 0.917891856 0.905553463 0.926511606 930.6415347 664.6647449 1027.024841 665.769665 773.5855407 949.2053433 869.8871203 1126.986884 1106.322906 1163.665418 805.1668056 1223.849619 1054.215814 858.5800763 1133.077033 916.3814761 735.3308619 862.8390411 1402.97373 1307.995885 927.1573346 891.1093914 914.8924628 1223.442714 774.0399593 1210.148664 696.7834253 1085.568231 951.1325384 786.6573269 1007.686039 983.2648771 648.748857 915.7303103 1071.823015 1048.922007 849.5364168 863.1809023 1052.73993 624.875807 1065.182974 841.4572383 838.853191 838.4676098 423.7951858 986.6168451 971.3210659 872.9940857 1028.703043 1312.802476 1004.296691 846.1597008 1120.487969 1213.463316 1303.179977 467.274434 1207.362481 1135.215822 884.0541937 1093.24179 1370.570971 868.6122903 760.4247191 846.1108158 867.2129803 1223.602535 790.4120588 1017.919828 754.517277 822.5287284 886.7979462 677.5281348 1143.668883 1213.919897 1081.663496 1260.437536 1106.015202 1113.172442 998.6321697 930.4229279 1041.576953 903.6432413 1055.867102 938.44107 804.4081732 831.0436607 734.023247 1033.489886 1029.751593 1005.850137 937.5966989 1334.54947 760.4722558 964.7470569 1105.96516 926.7411835 1011.835984 1142.182857 1018.184248 882.0864888 798.1994109 1043.827875 1013.205789 777.9451811 798.9572357 602.8470038 1115.595112 728.3370704 1012.285816 1093.10832 918.3897246 864.6151783 731.8187038 977.553506 940.3177248 926.4743977 564.3646883 897.8269947 1182.389057 1126.972586 1115.194261 1109.164321 1063.406892 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M114T880 M113.989T14.67 113.9890306 113.9884171 113.989872 14.67477325 14.45343343 14.91299851 0 243 0 237 [6][M+1]- 20 4.538613502 40.33103441 4.44E-16 1 1 0.204742162 0.178270484 1 663.7644383 135.9005659 0.204742162 663.5612016 118.2933763 0.178270484 0.870707245 0.742804674 3.22E-05 479.5236377 894.042373 414.5187353 0.888259732 0.889581501 0.907981747 0.88314174 0.905542086 0.469730133 0.906045885 0.783330869 0.904148879 0.779542973 0.469730133 734.5933296 477.1442735 986.3966498 742.3498083 659.5840203 720.1714214 677.6818476 690.8385242 524.3906533 941.910513 862.063904 626.8470433 367.3564746 482.8167828 680.0386903 726.8305667 573.7792953 903.943138 631.414923 710.8774384 645.4792167 575.9281759 717.2430846 661.2770421 561.3271383 605.4950149 483.2090115 715.524559 634.4716209 519.2889963 966.2020999 820.9321203 550.856317 569.7429527 511.8667599 918.2355615 581.5349393 677.5067349 465.2731076 462.0082985 493.582764 531.9034821 840.8831862 524.5394669 691.6345438 629.6873588 1091.416579 475.2847163 729.8020004 623.1764518 855.9231976 613.3856471 462.1087632 701.7323963 475.8862119 745.1706844 441.8888591 732.0452729 628.2791532 606.1523279 844.036894 574.1845306 643.8228357 769.1651732 815.0280271 631.4824085 741.046775 641.7002829 539.0607563 872.8887537 636.8742068 732.1145851 639.165042 658.9107836 773.1451908 743.3043382 830.5992063 733.3824297 478.3841084 695.1233661 581.2289549 1140.325872 552.0900349 579.4547907 833.1180312 966.4806167 579.7657383 599.7421112 636.8870027 645.0484517 697.0928259 468.4224233 470.2655387 640.5483911 643.5273506 730.5303321 469.4481961 1003.848993 692.145964 657.1966937 581.2255427 461.3348284 924.8723766 717.7057548 551.3164321 691.850733 896.0713072 468.9202843 448.8765848 663.4741358 537.1533618 630.1483445 660.7086429 732.1101136 434.6399737 697.3341163 669.5619866 490.8470878 591.3104823 536.1385548 495.1372354 647.735484 655.7085687 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M115T48 M114.9899T0.81 114.9898693 114.9883535 114.9901075 0.807221181 0.71978687 0.823266667 0 282 0 281 [8][M+2]- 16 173.2926807 133.9012238 0 1 1 0.13165002 0.076104396 1 5614.74499 739.1812896 0.13165002 5528.244955 420.7237451 0.076104396 0.578081161 0.718766245 7.60E-05 4697.195444 6390.957825 1693.762381 0.877620082 0.873050044 0.745030178 0.858558658 0.695696123 0.001665798 0.351900559 0.611067583 0.281755785 0.578321875 0.001665798 6079.2897 5372.49447 6555.26212 5765.276897 5217.225024 4734.410079 5748.67206 5640.438174 5865.992421 5519.060469 5726.53118 5646.254172 5504.635655 5959.80639 5959.589399 5696.9746 5633.72778 6031.152606 6566.247752 5307.391019 5739.449321 6384.374456 6217.545095 6450.412832 5035.843874 6346.896506 5725.837784 5716.454625 6172.318952 5259.468103 5760.021721 6481.094693 6950.128265 5414.983745 5467.424624 6099.975549 6575.51598 5244.64794 6450.508178 4934.520556 5479.076652 6505.273039 6234.873327 5986.638654 5588.92194 4657.768464 5724.40387 5802.784003 4966.445392 6600.880649 5601.077822 5370.701603 353.8149221 5744.407287 6586.273198 6486.526299 5514.905352 5432.780526 5239.099076 5973.129933 6354.639674 5594.659185 5243.308914 5219.604613 5544.216784 6338.652387 6113.67746 5521.13413 5138.95077 5009.333435 5711.342414 5896.469582 6061.328211 5317.433817 5407.813091 5240.844671 6089.170834 5903.073048 4808.360643 5970.875545 6065.723682 5778.870645 5664.014158 5416.532699 6362.093989 6431.747437 5520.01442 5669.497714 5500.011613 6078.192244 6000.000722 5183.23041 6087.380019 5408.747866 6162.142899 6044.801525 5300.301127 5485.131024 5783.643379 5033.162303 5781.693445 5046.811336 5045.843119 5341.120927 5835.718529 6095.275324 6105.263265 5168.444949 6417.711691 5698.116728 5294.907707 5619.577443 5893.844326 6338.382829 5205.307591 5445.590573 6375.77232 5089.429138 5694.06146 6193.647713 5675.871368 5177.916406 5993.970635 No_result_found_in_bank_inhouse 114.9859234 [M-H-C4H12N2O2S]- 1004 L-Homocystine 268.055149002 C8H16N2O4S2 ZTVZLYBCZNMWCF-ZBHICJROSA-N 90 null; LC-ESI-NA; MS; NEGATIVE; 2017-01-01; 2.5kV; Acquity UPLC HSS T3; [1.06]; fullscan high no curation splash10-0159-0690000000-fb032ebb00527d574aa2 +M118T53 M118.051T0.89 118.0509562 118.0505226 118.0512701 0.891305113 0.874688815 0.908415223 0 90 0 90 45 Inf 63.47641991 0 1 1 0.273463548 0.117146736 1 4108.514059 1123.528832 0.273463548 3967.576794 464.7886726 0.117146736 0.428381542 0.929588629 5.23E-11 3032.150087 5339.159064 2307.008976 0.811312041 0.815129461 0.954070595 0.8171566 0.953727557 0.970545484 0.963117998 0.825522489 0.962082819 0.826905887 0.970545484 3766.03909 3741.227931 4123.481422 4883.037556 6399.143673 3927.715801 3816.65122 4152.77907 2347.627467 4086.381443 3882.788047 4076.319078 4808.534257 6360.43627 2338.898036 2919.520299 4360.845187 4308.764896 5385.635527 3611.974939 3057.24545 4673.013423 3953.814577 3365.336883 3155.915885 3955.909718 5012.096426 3234.807866 4363.316509 3544.841572 4005.955857 3357.293153 3513.660263 2934.798231 3391.157987 3400.673019 3527.138618 4907.56419 4942.10562 3957.450619 4017.982671 5737.196979 5402.318536 4394.698806 2558.572196 3241.806553 4254.475758 2355.666264 6757.035041 3775.245903 2522.410867 3700.223467 4531.67121 5071.802947 4445.601907 2587.75343 3983.277499 3000.391821 3141.132295 3721.376706 4566.886412 4832.51886 7525.031879 4362.617149 5046.563729 5725.820794 3807.348029 3566.887798 4173.085379 3062.907893 4131.190672 2181.254737 5369.13059 3074.242702 2834.777727 4233.787681 3197.752687 3669.54278 4747.184069 3612.674561 6642.847517 7120.13831 4190.776958 3155.337134 3414.955321 4858.29918 4799.125683 4093.477649 3392.694446 4610.281083 6963.553998 4567.907221 3795.124803 5873.517493 3281.980667 3674.618142 2520.287932 2663.589045 4201.054021 3753.05295 3334.660274 3311.670237 4723.47399 2742.430544 2743.012495 4421.055967 5931.363686 3051.674529 2663.08017 3503.994189 2741.906073 3236.649123 4476.980637 4975.584039 3648.978383 2536.519543 3310.119992 4427.53937 2952.740469 3295.59489 4372.060385 5368.571215 7161.839869 0.0000562#118.0509#0.031305113#0.86#L-Threonine#C4H9NO3#C4H8NO3#118.05096##118.0509#0.86#-0.508255079|0.0000438#118.051#0.031305113#0.86#L-allo-Threonine#C4H9NO3#C4H8NO3#118.05096##118.051#0.86#0.338836719 118.050795 [(M-H)]- (18O) 402 Guanidineacetic acid 117.053826479 C3H7N3O2 BPMFZUMJYQTVII-UHFFFAOYSA-N 1181 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.82]; fullscan high no curation splash10-0159-1940000000-3c4522ca2062b9a34ab9 +M118T53 M118.051T0.89 118.0509562 118.0505226 118.0512701 0.891305113 0.874688815 0.908415223 0 90 0 90 45 Inf 63.47641991 0 1 1 0.273463548 0.117146736 1 4108.514059 1123.528832 0.273463548 3967.576794 464.7886726 0.117146736 0.428381542 0.929588629 5.23E-11 3032.150087 5339.159064 2307.008976 0.811312041 0.815129461 0.954070595 0.8171566 0.953727557 0.970545484 0.963117998 0.825522489 0.962082819 0.826905887 0.970545484 3766.03909 3741.227931 4123.481422 4883.037556 6399.143673 3927.715801 3816.65122 4152.77907 2347.627467 4086.381443 3882.788047 4076.319078 4808.534257 6360.43627 2338.898036 2919.520299 4360.845187 4308.764896 5385.635527 3611.974939 3057.24545 4673.013423 3953.814577 3365.336883 3155.915885 3955.909718 5012.096426 3234.807866 4363.316509 3544.841572 4005.955857 3357.293153 3513.660263 2934.798231 3391.157987 3400.673019 3527.138618 4907.56419 4942.10562 3957.450619 4017.982671 5737.196979 5402.318536 4394.698806 2558.572196 3241.806553 4254.475758 2355.666264 6757.035041 3775.245903 2522.410867 3700.223467 4531.67121 5071.802947 4445.601907 2587.75343 3983.277499 3000.391821 3141.132295 3721.376706 4566.886412 4832.51886 7525.031879 4362.617149 5046.563729 5725.820794 3807.348029 3566.887798 4173.085379 3062.907893 4131.190672 2181.254737 5369.13059 3074.242702 2834.777727 4233.787681 3197.752687 3669.54278 4747.184069 3612.674561 6642.847517 7120.13831 4190.776958 3155.337134 3414.955321 4858.29918 4799.125683 4093.477649 3392.694446 4610.281083 6963.553998 4567.907221 3795.124803 5873.517493 3281.980667 3674.618142 2520.287932 2663.589045 4201.054021 3753.05295 3334.660274 3311.670237 4723.47399 2742.430544 2743.012495 4421.055967 5931.363686 3051.674529 2663.08017 3503.994189 2741.906073 3236.649123 4476.980637 4975.584039 3648.978383 2536.519543 3310.119992 4427.53937 2952.740469 3295.59489 4372.060385 5368.571215 7161.839869 0.0000562#118.0509#0.031305113#0.86#L-Threonine#C4H9NO3#C4H8NO3#118.05096##118.0509#0.86#-0.508255079|0.0000438#118.051#0.031305113#0.86#L-allo-Threonine#C4H9NO3#C4H8NO3#118.05096##118.051#0.86#0.338836719 118.050795 [(M-H)]- (18O) 402 Guanidineacetic acid 117.053826479 C3H7N3O2 BPMFZUMJYQTVII-UHFFFAOYSA-N 1336 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.86]; fullscan high no curation splash10-0159-1940000000-3c4522ca2062b9a34ab9 +M118T53 M118.051T0.89 118.0509562 118.0505226 118.0512701 0.891305113 0.874688815 0.908415223 0 90 0 90 45 Inf 63.47641991 0 1 1 0.273463548 0.117146736 1 4108.514059 1123.528832 0.273463548 3967.576794 464.7886726 0.117146736 0.428381542 0.929588629 5.23E-11 3032.150087 5339.159064 2307.008976 0.811312041 0.815129461 0.954070595 0.8171566 0.953727557 0.970545484 0.963117998 0.825522489 0.962082819 0.826905887 0.970545484 3766.03909 3741.227931 4123.481422 4883.037556 6399.143673 3927.715801 3816.65122 4152.77907 2347.627467 4086.381443 3882.788047 4076.319078 4808.534257 6360.43627 2338.898036 2919.520299 4360.845187 4308.764896 5385.635527 3611.974939 3057.24545 4673.013423 3953.814577 3365.336883 3155.915885 3955.909718 5012.096426 3234.807866 4363.316509 3544.841572 4005.955857 3357.293153 3513.660263 2934.798231 3391.157987 3400.673019 3527.138618 4907.56419 4942.10562 3957.450619 4017.982671 5737.196979 5402.318536 4394.698806 2558.572196 3241.806553 4254.475758 2355.666264 6757.035041 3775.245903 2522.410867 3700.223467 4531.67121 5071.802947 4445.601907 2587.75343 3983.277499 3000.391821 3141.132295 3721.376706 4566.886412 4832.51886 7525.031879 4362.617149 5046.563729 5725.820794 3807.348029 3566.887798 4173.085379 3062.907893 4131.190672 2181.254737 5369.13059 3074.242702 2834.777727 4233.787681 3197.752687 3669.54278 4747.184069 3612.674561 6642.847517 7120.13831 4190.776958 3155.337134 3414.955321 4858.29918 4799.125683 4093.477649 3392.694446 4610.281083 6963.553998 4567.907221 3795.124803 5873.517493 3281.980667 3674.618142 2520.287932 2663.589045 4201.054021 3753.05295 3334.660274 3311.670237 4723.47399 2742.430544 2743.012495 4421.055967 5931.363686 3051.674529 2663.08017 3503.994189 2741.906073 3236.649123 4476.980637 4975.584039 3648.978383 2536.519543 3310.119992 4427.53937 2952.740469 3295.59489 4372.060385 5368.571215 7161.839869 0.0000562#118.0509#0.031305113#0.86#L-Threonine#C4H9NO3#C4H8NO3#118.05096##118.0509#0.86#-0.508255079|0.0000438#118.051#0.031305113#0.86#L-allo-Threonine#C4H9NO3#C4H8NO3#118.05096##118.051#0.86#0.338836719 118.050795 [(M-H)]- (18O) 402 Guanidineacetic acid 117.053826479 C3H7N3O2 BPMFZUMJYQTVII-UHFFFAOYSA-N 2263 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.9]; fullscan high no curation splash10-0159-1940000000-3c4522ca2062b9a34ab9 +M118T53 M118.051T0.89 118.0509562 118.0505226 118.0512701 0.891305113 0.874688815 0.908415223 0 90 0 90 45 Inf 63.47641991 0 1 1 0.273463548 0.117146736 1 4108.514059 1123.528832 0.273463548 3967.576794 464.7886726 0.117146736 0.428381542 0.929588629 5.23E-11 3032.150087 5339.159064 2307.008976 0.811312041 0.815129461 0.954070595 0.8171566 0.953727557 0.970545484 0.963117998 0.825522489 0.962082819 0.826905887 0.970545484 3766.03909 3741.227931 4123.481422 4883.037556 6399.143673 3927.715801 3816.65122 4152.77907 2347.627467 4086.381443 3882.788047 4076.319078 4808.534257 6360.43627 2338.898036 2919.520299 4360.845187 4308.764896 5385.635527 3611.974939 3057.24545 4673.013423 3953.814577 3365.336883 3155.915885 3955.909718 5012.096426 3234.807866 4363.316509 3544.841572 4005.955857 3357.293153 3513.660263 2934.798231 3391.157987 3400.673019 3527.138618 4907.56419 4942.10562 3957.450619 4017.982671 5737.196979 5402.318536 4394.698806 2558.572196 3241.806553 4254.475758 2355.666264 6757.035041 3775.245903 2522.410867 3700.223467 4531.67121 5071.802947 4445.601907 2587.75343 3983.277499 3000.391821 3141.132295 3721.376706 4566.886412 4832.51886 7525.031879 4362.617149 5046.563729 5725.820794 3807.348029 3566.887798 4173.085379 3062.907893 4131.190672 2181.254737 5369.13059 3074.242702 2834.777727 4233.787681 3197.752687 3669.54278 4747.184069 3612.674561 6642.847517 7120.13831 4190.776958 3155.337134 3414.955321 4858.29918 4799.125683 4093.477649 3392.694446 4610.281083 6963.553998 4567.907221 3795.124803 5873.517493 3281.980667 3674.618142 2520.287932 2663.589045 4201.054021 3753.05295 3334.660274 3311.670237 4723.47399 2742.430544 2743.012495 4421.055967 5931.363686 3051.674529 2663.08017 3503.994189 2741.906073 3236.649123 4476.980637 4975.584039 3648.978383 2536.519543 3310.119992 4427.53937 2952.740469 3295.59489 4372.060385 5368.571215 7161.839869 0.0000562#118.0509#0.031305113#0.86#L-Threonine#C4H9NO3#C4H8NO3#118.05096##118.0509#0.86#-0.508255079|0.0000438#118.051#0.031305113#0.86#L-allo-Threonine#C4H9NO3#C4H8NO3#118.05096##118.051#0.86#0.338836719 118.050795 [(M-H)]- (18O) 402 Guanidineacetic acid 117.053826479 C3H7N3O2 BPMFZUMJYQTVII-UHFFFAOYSA-N 2946 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.52]; fullscan high no curation splash10-0159-1940000000-3c4522ca2062b9a34ab9 +M118T53 M118.051T0.89 118.0509562 118.0505226 118.0512701 0.891305113 0.874688815 0.908415223 0 90 0 90 45 Inf 63.47641991 0 1 1 0.273463548 0.117146736 1 4108.514059 1123.528832 0.273463548 3967.576794 464.7886726 0.117146736 0.428381542 0.929588629 5.23E-11 3032.150087 5339.159064 2307.008976 0.811312041 0.815129461 0.954070595 0.8171566 0.953727557 0.970545484 0.963117998 0.825522489 0.962082819 0.826905887 0.970545484 3766.03909 3741.227931 4123.481422 4883.037556 6399.143673 3927.715801 3816.65122 4152.77907 2347.627467 4086.381443 3882.788047 4076.319078 4808.534257 6360.43627 2338.898036 2919.520299 4360.845187 4308.764896 5385.635527 3611.974939 3057.24545 4673.013423 3953.814577 3365.336883 3155.915885 3955.909718 5012.096426 3234.807866 4363.316509 3544.841572 4005.955857 3357.293153 3513.660263 2934.798231 3391.157987 3400.673019 3527.138618 4907.56419 4942.10562 3957.450619 4017.982671 5737.196979 5402.318536 4394.698806 2558.572196 3241.806553 4254.475758 2355.666264 6757.035041 3775.245903 2522.410867 3700.223467 4531.67121 5071.802947 4445.601907 2587.75343 3983.277499 3000.391821 3141.132295 3721.376706 4566.886412 4832.51886 7525.031879 4362.617149 5046.563729 5725.820794 3807.348029 3566.887798 4173.085379 3062.907893 4131.190672 2181.254737 5369.13059 3074.242702 2834.777727 4233.787681 3197.752687 3669.54278 4747.184069 3612.674561 6642.847517 7120.13831 4190.776958 3155.337134 3414.955321 4858.29918 4799.125683 4093.477649 3392.694446 4610.281083 6963.553998 4567.907221 3795.124803 5873.517493 3281.980667 3674.618142 2520.287932 2663.589045 4201.054021 3753.05295 3334.660274 3311.670237 4723.47399 2742.430544 2743.012495 4421.055967 5931.363686 3051.674529 2663.08017 3503.994189 2741.906073 3236.649123 4476.980637 4975.584039 3648.978383 2536.519543 3310.119992 4427.53937 2952.740469 3295.59489 4372.060385 5368.571215 7161.839869 0.0000562#118.0509#0.031305113#0.86#L-Threonine#C4H9NO3#C4H8NO3#118.05096##118.0509#0.86#-0.508255079|0.0000438#118.051#0.031305113#0.86#L-allo-Threonine#C4H9NO3#C4H8NO3#118.05096##118.051#0.86#0.338836719 118.0509664 [M-H]- 1858 L-allo-Thréonine 119.058243153 C4H9NO3 AYFVYJQAPQTCCC-HRFVKAFMSA-N 62 null; LC-ESI-NA; MS; NEGATIVE; 2017-01-01; 2.5kV; Acquity UPLC HSS T3; [0.86]; fullscan high no curation splash10-014i-0900000000-4c908bf8f201b2dd2a78 +M118T53 M118.051T0.89 118.0509562 118.0505226 118.0512701 0.891305113 0.874688815 0.908415223 0 90 0 90 45 Inf 63.47641991 0 1 1 0.273463548 0.117146736 1 4108.514059 1123.528832 0.273463548 3967.576794 464.7886726 0.117146736 0.428381542 0.929588629 5.23E-11 3032.150087 5339.159064 2307.008976 0.811312041 0.815129461 0.954070595 0.8171566 0.953727557 0.970545484 0.963117998 0.825522489 0.962082819 0.826905887 0.970545484 3766.03909 3741.227931 4123.481422 4883.037556 6399.143673 3927.715801 3816.65122 4152.77907 2347.627467 4086.381443 3882.788047 4076.319078 4808.534257 6360.43627 2338.898036 2919.520299 4360.845187 4308.764896 5385.635527 3611.974939 3057.24545 4673.013423 3953.814577 3365.336883 3155.915885 3955.909718 5012.096426 3234.807866 4363.316509 3544.841572 4005.955857 3357.293153 3513.660263 2934.798231 3391.157987 3400.673019 3527.138618 4907.56419 4942.10562 3957.450619 4017.982671 5737.196979 5402.318536 4394.698806 2558.572196 3241.806553 4254.475758 2355.666264 6757.035041 3775.245903 2522.410867 3700.223467 4531.67121 5071.802947 4445.601907 2587.75343 3983.277499 3000.391821 3141.132295 3721.376706 4566.886412 4832.51886 7525.031879 4362.617149 5046.563729 5725.820794 3807.348029 3566.887798 4173.085379 3062.907893 4131.190672 2181.254737 5369.13059 3074.242702 2834.777727 4233.787681 3197.752687 3669.54278 4747.184069 3612.674561 6642.847517 7120.13831 4190.776958 3155.337134 3414.955321 4858.29918 4799.125683 4093.477649 3392.694446 4610.281083 6963.553998 4567.907221 3795.124803 5873.517493 3281.980667 3674.618142 2520.287932 2663.589045 4201.054021 3753.05295 3334.660274 3311.670237 4723.47399 2742.430544 2743.012495 4421.055967 5931.363686 3051.674529 2663.08017 3503.994189 2741.906073 3236.649123 4476.980637 4975.584039 3648.978383 2536.519543 3310.119992 4427.53937 2952.740469 3295.59489 4372.060385 5368.571215 7161.839869 0.0000562#118.0509#0.031305113#0.86#L-Threonine#C4H9NO3#C4H8NO3#118.05096##118.0509#0.86#-0.508255079|0.0000438#118.051#0.031305113#0.86#L-allo-Threonine#C4H9NO3#C4H8NO3#118.05096##118.051#0.86#0.338836719 118.0509664 [M-H]- 1859 L-Threonine 119.058243153 C4H9NO3 AYFVYJQAPQTCCC-GBXIJSLDSA-N 119 null; LC-ESI-NA; MS; NEGATIVE; 2017-01-01; 2.5kV; Acquity UPLC HSS T3; [0.86]; fullscan high no curation splash10-014i-0900000000-62e67892a51d2d5b9d86 +M118T53 M118.051T0.89 118.0509562 118.0505226 118.0512701 0.891305113 0.874688815 0.908415223 0 90 0 90 45 Inf 63.47641991 0 1 1 0.273463548 0.117146736 1 4108.514059 1123.528832 0.273463548 3967.576794 464.7886726 0.117146736 0.428381542 0.929588629 5.23E-11 3032.150087 5339.159064 2307.008976 0.811312041 0.815129461 0.954070595 0.8171566 0.953727557 0.970545484 0.963117998 0.825522489 0.962082819 0.826905887 0.970545484 3766.03909 3741.227931 4123.481422 4883.037556 6399.143673 3927.715801 3816.65122 4152.77907 2347.627467 4086.381443 3882.788047 4076.319078 4808.534257 6360.43627 2338.898036 2919.520299 4360.845187 4308.764896 5385.635527 3611.974939 3057.24545 4673.013423 3953.814577 3365.336883 3155.915885 3955.909718 5012.096426 3234.807866 4363.316509 3544.841572 4005.955857 3357.293153 3513.660263 2934.798231 3391.157987 3400.673019 3527.138618 4907.56419 4942.10562 3957.450619 4017.982671 5737.196979 5402.318536 4394.698806 2558.572196 3241.806553 4254.475758 2355.666264 6757.035041 3775.245903 2522.410867 3700.223467 4531.67121 5071.802947 4445.601907 2587.75343 3983.277499 3000.391821 3141.132295 3721.376706 4566.886412 4832.51886 7525.031879 4362.617149 5046.563729 5725.820794 3807.348029 3566.887798 4173.085379 3062.907893 4131.190672 2181.254737 5369.13059 3074.242702 2834.777727 4233.787681 3197.752687 3669.54278 4747.184069 3612.674561 6642.847517 7120.13831 4190.776958 3155.337134 3414.955321 4858.29918 4799.125683 4093.477649 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MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.84]; fullscan high no curation splash10-014i-0910000000-88bfc513aab708350d8f +M118T53 M118.051T0.89 118.0509562 118.0505226 118.0512701 0.891305113 0.874688815 0.908415223 0 90 0 90 45 Inf 63.47641991 0 1 1 0.273463548 0.117146736 1 4108.514059 1123.528832 0.273463548 3967.576794 464.7886726 0.117146736 0.428381542 0.929588629 5.23E-11 3032.150087 5339.159064 2307.008976 0.811312041 0.815129461 0.954070595 0.8171566 0.953727557 0.970545484 0.963117998 0.825522489 0.962082819 0.826905887 0.970545484 3766.03909 3741.227931 4123.481422 4883.037556 6399.143673 3927.715801 3816.65122 4152.77907 2347.627467 4086.381443 3882.788047 4076.319078 4808.534257 6360.43627 2338.898036 2919.520299 4360.845187 4308.764896 5385.635527 3611.974939 3057.24545 4673.013423 3953.814577 3365.336883 3155.915885 3955.909718 5012.096426 3234.807866 4363.316509 3544.841572 4005.955857 3357.293153 3513.660263 2934.798231 3391.157987 3400.673019 3527.138618 4907.56419 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7161.839869 0.0000562#118.0509#0.031305113#0.86#L-Threonine#C4H9NO3#C4H8NO3#118.05096##118.0509#0.86#-0.508255079|0.0000438#118.051#0.031305113#0.86#L-allo-Threonine#C4H9NO3#C4H8NO3#118.05096##118.051#0.86#0.338836719 118.050968 [(M-H)]- 1117 L-Homoserine 119.058243153 C4H9NO3 UKAUYVFTDYCKQA-VKHMYHEASA-N 3665 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.28]; fullscan high no curation splash10-014i-0940000000-f9db6aaea9c489afd041 +M118T53 M118.051T0.89 118.0509562 118.0505226 118.0512701 0.891305113 0.874688815 0.908415223 0 90 0 90 45 Inf 63.47641991 0 1 1 0.273463548 0.117146736 1 4108.514059 1123.528832 0.273463548 3967.576794 464.7886726 0.117146736 0.428381542 0.929588629 5.23E-11 3032.150087 5339.159064 2307.008976 0.811312041 0.815129461 0.954070595 0.8171566 0.953727557 0.970545484 0.963117998 0.825522489 0.962082819 0.826905887 0.970545484 3766.03909 3741.227931 4123.481422 4883.037556 6399.143673 3927.715801 3816.65122 4152.77907 2347.627467 4086.381443 3882.788047 4076.319078 4808.534257 6360.43627 2338.898036 2919.520299 4360.845187 4308.764896 5385.635527 3611.974939 3057.24545 4673.013423 3953.814577 3365.336883 3155.915885 3955.909718 5012.096426 3234.807866 4363.316509 3544.841572 4005.955857 3357.293153 3513.660263 2934.798231 3391.157987 3400.673019 3527.138618 4907.56419 4942.10562 3957.450619 4017.982671 5737.196979 5402.318536 4394.698806 2558.572196 3241.806553 4254.475758 2355.666264 6757.035041 3775.245903 2522.410867 3700.223467 4531.67121 5071.802947 4445.601907 2587.75343 3983.277499 3000.391821 3141.132295 3721.376706 4566.886412 4832.51886 7525.031879 4362.617149 5046.563729 5725.820794 3807.348029 3566.887798 4173.085379 3062.907893 4131.190672 2181.254737 5369.13059 3074.242702 2834.777727 4233.787681 3197.752687 3669.54278 4747.184069 3612.674561 6642.847517 7120.13831 4190.776958 3155.337134 3414.955321 4858.29918 4799.125683 4093.477649 3392.694446 4610.281083 6963.553998 4567.907221 3795.124803 5873.517493 3281.980667 3674.618142 2520.287932 2663.589045 4201.054021 3753.05295 3334.660274 3311.670237 4723.47399 2742.430544 2743.012495 4421.055967 5931.363686 3051.674529 2663.08017 3503.994189 2741.906073 3236.649123 4476.980637 4975.584039 3648.978383 2536.519543 3310.119992 4427.53937 2952.740469 3295.59489 4372.060385 5368.571215 7161.839869 0.0000562#118.0509#0.031305113#0.86#L-Threonine#C4H9NO3#C4H8NO3#118.05096##118.0509#0.86#-0.508255079|0.0000438#118.051#0.031305113#0.86#L-allo-Threonine#C4H9NO3#C4H8NO3#118.05096##118.051#0.86#0.338836719 118.050968 [(M-H)]- 1859 L-Threonine 119.058243153 C4H9NO3 AYFVYJQAPQTCCC-GBXIJSLDSA-N 3714 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.31]; fullscan high no curation splash10-014i-0940000000-f7a3bdde9b3aaba988ef +M125T56 M124.9914T0.93 124.9913888 124.9906244 124.9918687 0.925745911 0.90685323 1.24551173 0 119 0 118 [3M+2Cl]2- 60.014 48 Inf 25.98387335 0 0 0 0.811098355 0.197790913 1 1657.064148 1344.042004 0.811098355 1572.995608 311.1242367 0.197790913 0.243855645 0.937586124 1.44E-11 836.6892596 2223.565093 1386.875833 0.022979346 0.02248411 0.828852751 0.01528556 0.814503953 0.056792985 0.682015887 0.052835821 0.651421769 0.046960903 0.056792985 1208.502978 2892.092327 1116.472691 1386.508927 4907.172586 1703.771232 1413.62743 1054.461981 1174.752547 1213.996278 1187.549416 1576.574224 881.2776915 1643.117942 1359.880581 1094.558837 1436.156845 1255.799382 1250.885347 969.9507867 1850.293136 937.2558164 2596.22283 1582.678749 1851.504061 1453.109793 1504.058635 1071.668472 1841.895969 1498.939888 1597.209847 1725.871026 1341.964965 1645.64684 1460.375342 3004.704772 1880.286575 1614.964831 1272.681994 1719.513255 1747.199141 917.9620484 1715.88048 1347.936837 1109.207142 1302.721234 877.9204998 1597.902339 1394.005564 2440.013527 1117.683616 1236.354249 5145.219591 1086.880715 1525.38675 1051.08275 2434.817552 1485.289894 1071.524473 1459.696157 1425.571174 1203.659278 1135.508816 1374.383699 1818.008481 2285.520751 913.0373198 1145.534887 1457.989908 1049.871825 1347.759333 2927.92356 989.6245132 1249.674422 1122.527315 1253.307196 1220.612226 1110.418067 1676.3898 1365.852453 2003.136515 2007.402138 948.1541398 1237.030641 1562.093027 1079.202594 1144.893187 1588.517969 1556.099235 1786.11412 1775.215797 1600.461713 1867.246084 1624.349201 1384.621194 1845.449437 1249.674422 1152.571308 1701.983538 2482.592529 2191.773937 876.709575 1566.936727 1117.683616 1694.083833 2225.80203 1361.079506 1473.34615 1990.339646 1023.231479 1037.39949 1104.363443 1062.993227 937.5839138 1486.143019 1625.061118 843.7402099 2218.123909 1290.845866 1385.298002 1540.742992 1182.430668 996.4495098 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M129T933 M128.9595T15.55 128.9595224 128.958859 128.9602846 15.54994521 15.53558531 15.56247065 0 329 0 329 [M+Cl]- 93.9879 [M-H]- 129.965 30 12.30286205 47.86714792 0 1 1 0.143784803 0.082287233 1 3098.358163 445.496819 0.143784803 3061.84088 251.9504137 0.082287233 0.572294367 0.959370882 1.42E-13 2550.089645 3760.430171 1210.340526 0.197761526 0.194626803 0.81438186 0.199040263 0.814503953 0.970545484 0.254001584 0.766036807 0.257310219 0.767818023 0.970545484 3139.772341 2814.620775 2909.629308 2758.387782 3019.461033 2616.598106 3175.178333 3156.113033 2687.634431 2990.050686 2858.996693 2884.814196 2665.266112 2203.878827 2428.379377 3440.725833 2463.491621 3046.583811 3643.490771 3584.179681 3425.559445 3455.908739 3449.403259 3007.537635 3174.39788 3302.985827 2947.002671 3050.944092 3058.499366 2123.054712 3059.345108 3900.3701 3001.146385 3762.672693 2487.604104 2860.585024 2619.889967 2702.942362 3019.667236 3622.284055 2897.563852 2928.447218 3034.165431 3319.473305 2960.880524 3336.648461 3174.043818 2826.666235 3514.86884 3404.641462 2933.787313 3651.15922 2955.713892 3225.054222 2760.321807 3526.105262 2267.96819 2429.012018 3333.504454 3135.155182 3485.925739 3377.970048 2714.504604 2759.3143 2991.874642 3695.148193 3047.256185 2867.723511 2802.703541 3486.695241 2860.148424 2879.784838 2872.553822 2758.382256 2837.683738 3594.07618 4047.693553 3249.823746 3583.717722 2966.517188 3218.385131 3437.706105 2763.055158 3399.641573 3591.419736 2643.865261 3365.34076 3183.120811 3447.413616 3205.213145 3050.555098 3265.964085 2397.529171 3390.106396 3696.066845 3189.771209 3778.391509 3375.728053 2214.482679 2864.627908 2298.300085 3006.469078 3354.876462 2549.700177 3185.23639 3426.782244 2933.812011 3153.193096 3589.628065 2702.382851 3229.33163 3465.66364 3015.909685 3477.624984 2947.796443 3177.081951 3243.306612 2841.27057 2639.544492 2714.960817 3634.583441 3060.918351 3221.431182 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M137T56 M136.8774T0.93 136.8774194 136.8765516 136.8781349 0.925741667 0.90685323 0.946515815 0 187 0 187 48 126.2618561 35.95125226 0 0 0 0.430809772 0.224874494 1 862.0801757 371.392564 0.430809772 817.1965016 183.7666501 0.224874494 0.521980951 0.964245753 3.56E-14 474.8204254 1301.76866 826.9482345 0.975939116 0.975977533 0.946954697 0.975955476 0.946617264 0.974479907 0.966176257 0.89950894 0.967031738 0.9004885 0.974479907 817.6854625 672.2772234 556.3210712 881.5927431 359.8283805 857.8323439 1024.422436 973.2013138 508.3696337 738.8646817 763.1947145 989.8481784 1080.76567 1436.752466 1826.032991 738.8646817 538.2959407 610.8118772 616.1317313 712.8119763 613.6737589 1045.457565 548.9471542 763.6100712 1430.539897 905.3531423 1198.57425 477.6659565 1143.511544 582.6402603 948.7773202 796.4884437 969.3597297 858.651668 530.1026996 720.9372891 1261.320124 695.3267282 766.0680435 1254.385213 824.6600607 870.7590703 999.5754151 660.752471 372.7924704 306.0462026 435.0611028 1144.792072 1516.145205 719.3665692 1381.380451 599.745249 722.6438656 1149.914184 1187.049497 514.5355415 1073.082501 1279.247516 799.0494998 1169.122105 670.9966953 774.2612846 900.2112153 715.8151769 1184.488441 1199.854778 1033.987028 602.2032214 797.7689717 605.4805178 586.6360633 605.6897651 432.818479 889.7859842 915.1850317 874.2188261 724.2825139 962.7058301 687.6435599 546.785475 522.4554422 1073.082501 2042.575008 498.1254093 1049.554186 930.9438884 1258.759068 781.1221072 676.1188075 694.7868459 598.9259249 4061.834957 759.5134506 536.5412507 1329.18811 923.3782728 1066.759992 545.504947 1472.607251 920.699664 414.578 1471.506103 1024.974462 911.9077352 690.6902253 736.3036256 2828.30683 1408.580849 659.4719429 1058.566751 932.2244164 722.6438656 737.5841536 704.2904245 791.3663315 605.4805178 503.2475215 1318.943886 1284.700206 1010.226629 907.8943836 690.204616 591.6039566 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M139T56 M138.8752T0.93 138.875178 138.8745649 138.8758369 0.925740781 0.90685323 0.946249747 0 162 0 162 [M+Cl]- 103.904 48 171.9577188 36.94339813 0 1 0 0.422250041 0.198654868 1 1056.68623 446.1858037 0.422250041 1037.638682 206.1319754 0.198654868 0.470467374 0.954139821 5.26E-13 636.2474703 1649.339284 1013.091814 0.882970209 0.885628023 0.978829472 0.886397401 0.978101298 0.970545484 0.980503825 0.902843964 0.981102408 0.905553463 0.970545484 793.8663256 669.3887762 635.64875 1342.662691 915.2604229 689.0399972 992.4975894 1067.160184 1071.022042 756.9242316 884.3655563 1706.941379 1860.128426 1986.282465 2539.815491 1076.171186 649.6797738 633.3447652 729.0365837 751.9635675 888.9563502 1303.938532 536.2804505 818.6522802 1491.651741 1309.071247 1010.519595 856.2755623 1095.480478 959.0281506 1499.034388 1117.364342 669.3887762 1357.005843 697.4509935 1313.03183 1607.820349 607.599043 659.543978 1137.231454 1585.936485 987.348445 1131.8379 977.0501561 1080.172797 392.622263 941.3255391 977.0501561 1602.671205 1025.352002 1652.877067 664.9588961 855.7661409 1207.474369 1273.125961 695.4003705 1025.967028 2250.176117 1315.606403 1059.436467 1033.690745 965.2941172 906.2494201 1040.127175 1379.970708 1284.711536 1111.559758 1076.394578 1489.390027 700.7481974 740.5036394 568.9804598 516.2017294 1273.859631 709.6333319 1230.974365 1090.601154 1152.810174 679.6870651 776.2335232 785.244526 1062.011039 2419.194852 617.8973319 1221.771739 728.6039372 1863.990285 1153.408353 1082.607617 856.5132131 679.867741 4564.71654 696.5107759 543.2347376 1257.678528 761.7183119 1569.653713 984.7738727 1816.360699 1207.474369 865.0344546 2200.290869 1204.105421 757.3436122 795.9731792 1655.449935 2608.284449 1691.493946 644.9303402 977.0684182 1247.380239 828.6469935 531.6491627 858.6198341 1099.342336 743.3259958 697.7090706 1642.577074 1086.824251 1597.385624 823.8631092 1067.160184 1049.138178 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M145T56 M144.8697T0.93 144.8697496 144.8690633 144.8704162 0.925749506 0.893092942 0.946515815 0 197 0 197 48 193.8566372 82.8785791 0 0 1 0.159010068 0.130820318 1 1325.967135 210.8421248 0.159010068 1282.672954 167.7996839 0.130820318 0.822717199 0.868064677 3.90E-08 928.1412401 1656.064557 727.9233165 0.255210779 0.251115346 0.812332331 0.251081699 0.810685871 0.895228214 0.254001584 0.913996348 0.251138038 0.913037985 0.895228214 1277.989648 1013.78562 1526.871712 1247.373204 2111.974506 1324.408128 1527.993717 1417.075659 964.4986136 1346.104347 1609.964691 1391.890578 1052.125299 1303.978819 1021.11145 1159.588611 1637.485963 1582.261068 1526.871712 1086.389963 1076.513691 1158.486752 1194.041333 1223.67015 1277.002021 1455.762551 1128.207401 1235.521677 1371.769811 1170.890347 1376.752372 1073.047346 1501.69818 1351.074064 968.862322 1259.047347 1351.367916 907.9329161 1588.104601 1322.432874 1048.369249 1218.044788 1066.637419 1431.758724 1214.781505 1080.843963 1308.606092 1735.796767 1481.060327 1400.455426 1318.482365 1174.288788 1247.373204 1372.088492 1675.566551 1197.004214 1955.237802 1445.542375 1877.647468 1512.026456 1393.529457 1330.333892 1477.148847 1150.584071 1159.486264 1431.580435 1450.824415 1087.377591 1093.123857 1665.139526 1450.824415 1158.96855 1771.455938 1608.844773 1540.698494 951.0850316 923.4314689 1512.057304 1052.971198 1420.778517 1854.937568 1180.295681 1558.475784 1326.920809 1315.519483 1462.784066 1182.856073 1354.688141 1278.354406 1334.284401 1181.202178 1114.450256 1319.469992 1390.79827 1573.53826 991.5777485 1505.143913 1797.547782 1272.273187 1157.597458 1688.84258 1009.355039 1189.103196 1446.873906 1468.601705 1269.718489 1079.476573 1529.115883 1456.911455 1558.475784 1331.275393 1429.096616 1416.452187 1470.065254 1016.842759 1330.333892 1078.97185 1227.77093 1550.574766 1237.496931 1405.417178 1146.856662 1350.966949 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045881 [M-H]- 1843 Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N 81 null; LC-ESI-NA; MS; NEGATIVE; 2017-01-01; 2.5kV; Acquity UPLC HSS T3; [0.86]; fullscan high no curation splash10-0f6t-0900000000-37c2cb2ca9e00539ca35 +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)-(C2H2O)]- 2007 N-Acetyl-L-glutamate 189.063722457 C7H11NO5 RFMMMVDNIPUKGG-UHFFFAOYSA-N 831 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.75]; fullscan high no curation splash10-000i-0900000000-d6da36b4df2cebca117f +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)]- 1844 D-Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-GSVOUGTGSA-N 969 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.9]; fullscan high no curation splash10-0002-0930000000-4192eded7a16720fbdc0 +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)]- 1995 N-Acetyl-DL-serine 147.053157773 C5H9NO4 JJIHLJJYMXLCOY-UHFFFAOYSA-N 1020 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.85]; fullscan high no curation splash10-0002-0911000000-1614e369d3665e8a365d +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)-(C2H2O)]- 2007 N-Acetyl-L-glutamate 189.063722457 C7H11NO5 RFMMMVDNIPUKGG-UHFFFAOYSA-N 1042 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.65]; fullscan high no curation splash10-000i-0900000000-d6da36b4df2cebca117f +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)-(C2H2O)]- 2007 N-Acetyl-L-glutamate 189.063722457 C7H11NO5 RFMMMVDNIPUKGG-UHFFFAOYSA-N 1061 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.13]; fullscan high no curation splash10-000i-0900000000-d6da36b4df2cebca117f +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)]- 1843 Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N 1105 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.19]; fullscan high no curation splash10-0002-0902000000-a1b9a51c5f1d4a2dc21b +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)]- 1995 N-Acetyl-DL-serine 147.053157773 C5H9NO4 JJIHLJJYMXLCOY-UHFFFAOYSA-N 1172 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.96]; fullscan high no curation 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14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic 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6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)]- 1843 Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N 1580 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.89]; fullscan high no curation splash10-0002-0902000000-a1b9a51c5f1d4a2dc21b +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)]- 2078 O-Acetyl-L-serine 147.053157773 C5H9NO4 VZXPDPZARILFQX-BYPYZUCNSA-N 1622 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.29]; fullscan high no curation splash10-0udj-0910000000-740eeee47f645afd4730 +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)-(C2H2O)]- 2007 N-Acetyl-L-glutamate 189.063722457 C7H11NO5 RFMMMVDNIPUKGG-UHFFFAOYSA-N 1776 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.51]; fullscan high no curation splash10-000i-0900000000-d6da36b4df2cebca117f +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)]- 1203 N-methyl-D-aspartic acid 147.053157773 C5H9NO4 HOKKHZGPKSLGJE-GSVOUGTGSA-N 1806 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.86]; fullscan high no curation splash10-0002-0901000000-129a3b562f5f131bc2ef +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)]- 1203 N-methyl-D-aspartic acid 147.053157773 C5H9NO4 HOKKHZGPKSLGJE-GSVOUGTGSA-N 1970 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.9]; fullscan high no curation splash10-0002-0901000000-129a3b562f5f131bc2ef +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)-(C2H2O)]- 1983 N-Acetyl-L-glutamic acid 189.063722457 C7H11NO5 RFMMMVDNIPUKGG-YFKPBYRVSA-N 2029 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.14]; fullscan high no curation splash10-000i-0900000000-1e7bad5614c0eb8ce15d +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)]- 2078 O-Acetyl-L-serine 147.053157773 C5H9NO4 VZXPDPZARILFQX-BYPYZUCNSA-N 2152 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.92]; fullscan high no curation splash10-0udj-0910000000-740eeee47f645afd4730 +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)]- 1844 D-Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-GSVOUGTGSA-N 2229 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.88]; fullscan high no curation splash10-0002-0930000000-4192eded7a16720fbdc0 +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)]- 1843 Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N 2275 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.31]; fullscan high no curation splash10-0002-0902000000-a1b9a51c5f1d4a2dc21b +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)-(C2H2O)]- 1983 N-Acetyl-L-glutamic acid 189.063722457 C7H11NO5 RFMMMVDNIPUKGG-YFKPBYRVSA-N 2404 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.68]; fullscan high no curation splash10-000i-0900000000-1e7bad5614c0eb8ce15d +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)-(C2H2O)]- 1983 N-Acetyl-L-glutamic acid 189.063722457 C7H11NO5 RFMMMVDNIPUKGG-YFKPBYRVSA-N 2498 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.5]; fullscan high no curation splash10-000i-0900000000-1e7bad5614c0eb8ce15d +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)]- 1844 D-Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-GSVOUGTGSA-N 2638 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.31]; fullscan high no curation splash10-0002-0930000000-4192eded7a16720fbdc0 +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)]- 1995 N-Acetyl-DL-serine 147.053157773 C5H9NO4 JJIHLJJYMXLCOY-UHFFFAOYSA-N 2795 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.03]; fullscan high no curation splash10-0002-0911000000-1614e369d3665e8a365d +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)]- 1844 D-Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-GSVOUGTGSA-N 3050 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.31]; fullscan high no curation splash10-0002-0930000000-4192eded7a16720fbdc0 +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)-(C2H2O)]- 1983 N-Acetyl-L-glutamic acid 189.063722457 C7H11NO5 RFMMMVDNIPUKGG-YFKPBYRVSA-N 3096 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.73]; fullscan high no curation splash10-000i-0900000000-1e7bad5614c0eb8ce15d +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)]- 1995 N-Acetyl-DL-serine 147.053157773 C5H9NO4 JJIHLJJYMXLCOY-UHFFFAOYSA-N 3332 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.94]; fullscan high no curation splash10-0002-0911000000-1614e369d3665e8a365d +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.045883 [(M-H)]- 2078 O-Acetyl-L-serine 147.053157773 C5H9NO4 VZXPDPZARILFQX-BYPYZUCNSA-N 3390 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.21]; fullscan high no curation splash10-0udj-0910000000-740eeee47f645afd4730 +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.0459 [(M-H)]- 1843 Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N 285 null; LC-ESI-FT; MS; NEGATIVE; 2015-05-06; 3.8kV; Hypersil Gold C18; [0.9-1.12]; fullscan high no curation splash10-0002-0924000000-e93997cb8e5d9219b0bf +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.047219 [(M-H)-(H2)]- 1967 6-methylaminopurine 149.070145249 C6H7N5 CKOMXBHMKXXTNW-UHFFFAOYSA-N 1272 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.98]; fullscan high no curation splash10-0002-0900000000-4145bbe34a3f79866ac7 +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.047219 [(M-H)-(H2)]- 1967 6-methylaminopurine 149.070145249 C6H7N5 CKOMXBHMKXXTNW-UHFFFAOYSA-N 2395 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.6]; fullscan high no curation splash10-0002-0900000000-4145bbe34a3f79866ac7 +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.047219 [(M-H)-(H2)]- 1967 6-methylaminopurine 149.070145249 C6H7N5 CKOMXBHMKXXTNW-UHFFFAOYSA-N 2437 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.59]; fullscan high no curation splash10-0002-0900000000-4145bbe34a3f79866ac7 +M146T55 M146.0459T0.91 146.0458554 146.0453761 146.046132 0.911211422 0.889900242 1.22071278 0 113 0 111 [13][M]- [M-H-C2H4]- 175.095 45 Inf 32.80921169 0 0 1 0.526292196 0.12178921 1 10022.4501 5274.737268 0.526292196 9324.667904 1135.643939 0.12178921 0.231409873 0.984844479 3.11E-18 6814.012183 12145.70961 5331.697425 2.99E-05 1.61E-05 0.715391897 1.74E-05 0.695696123 0.896173123 3.41E-05 0.140155645 3.71E-05 0.133688622 0.896173123 4030.0217 5178.373601 16523.34858 5463.072148 6308.713963 5081.444583 4207.85414 3373.385393 9207.52608 8181.019643 8168.393418 14129.18392 9635.084877 8600.260423 11927.87925 11545.53693 18446.19767 3401.676135 15653.65311 7036.312314 4363.188622 6607.954843 13580.22988 8129.272891 8542.053726 12495.92299 5741.775459 10502.11367 14092.6773 6352.938888 12856.78171 18170.84854 14022.03176 15300.58271 11849.49262 20635.48186 19320.51556 15582.95562 5303.844321 4822.699363 11771.33349 24448.51112 15194.14237 14297.37716 12359.19474 6329.684724 12475.15414 14047.18426 22121.61182 23430.72097 14667.13287 7976.102644 9093.293542 6946.173277 8973.494046 15042.70286 31192.22223 13750.20741 6365.012271 22795.86527 11793.85912 25264.43709 6623.736442 14707.79976 9397.916291 6379.63996 3810.218069 4489.532442 7960.831176 6650.357906 12185.25565 13474.10999 5807.712762 9793.376762 8173.406691 7076.984639 5835.180658 3448.493982 6652.969558 16181.76187 10928.39442 7161.395195 8694.358605 5205.10316 7699.184683 7789.722519 3407.205524 4680.341518 17296.69607 7182.559612 7660.243094 5456.295212 6470.361231 13873.5075 7025.767188 7199.866984 5970.178164 17338.34436 11599.38613 8169.866679 17366.21763 8037.543816 13559.46103 7783.990808 13014.2788 11859.24794 11444.5001 7149.64076 15579.41438 8550.707413 4734.724018 16622.86597 9813.954688 6793.142245 7924.087098 7494.092318 12208.39217 9595.268593 8585.322158 10920.08672 9684.629057 6864.166369 5170.741793 0.0001554#146.0457#0.051211422#0.86#L-Glutamic acid#C5H9NO4#C5H8NO4#146.04587#100#146.0457#0.86#-1.164017853 146.047219 [(M-H)-(H2)]- 1967 6-methylaminopurine 149.070145249 C6H7N5 CKOMXBHMKXXTNW-UHFFFAOYSA-N 3023 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [2.09]; fullscan high no curation splash10-0002-0900000000-4145bbe34a3f79866ac7 +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.061138 [(M-H)-(CO2)]- 392 (5-hydroxyindol-3-yl)acetic acid 191.058243153 C10H9NO3 DUUGKQCEGZLZNO-UHFFFAOYSA-N 1057 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [5.68]; fullscan high no curation splash10-0006-0923100000-079a57b313118f74a2b3 +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.061138 [(M-H)-(HCOOH)]- 524 p-Methylhippuric acid 193.073893217 C10H11NO3 NRSCPTLHWVWLLH-UHFFFAOYSA-N 1177 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [5.93]; fullscan high no curation splash10-0006-0901000000-589f2edc9feb03035a9f +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.061138 [(M-H)-(HCOOH)]- 524 p-Methylhippuric acid 193.073893217 C10H11NO3 NRSCPTLHWVWLLH-UHFFFAOYSA-N 1409 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [6.62]; fullscan high no curation splash10-0006-0901000000-589f2edc9feb03035a9f +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.061138 [(M-H)-(CO2)]- 392 (5-hydroxyindol-3-yl)acetic acid 191.058243153 C10H9NO3 DUUGKQCEGZLZNO-UHFFFAOYSA-N 1525 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [9.43]; fullscan high no curation splash10-0006-0923100000-079a57b313118f74a2b3 +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.061138 [(M-H)-(HCOOH)]- 524 p-Methylhippuric acid 193.073893217 C10H11NO3 NRSCPTLHWVWLLH-UHFFFAOYSA-N 1604 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [9.36]; fullscan high no curation splash10-0006-0901000000-589f2edc9feb03035a9f +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.061138 [(M-H)-(HCOOH)]- 524 p-Methylhippuric acid 193.073893217 C10H11NO3 NRSCPTLHWVWLLH-UHFFFAOYSA-N 2103 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [10.51]; fullscan high no curation splash10-0006-0901000000-589f2edc9feb03035a9f +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.061138 [(M-H)-(NH3)-(CO2)]- 1121 L-kynurenine 208.084792254 C10H12N2O3 YGPSJZOEDVAXAB-QMMMGPOBSA-N 2379 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [10.33]; fullscan high no curation splash10-0a4i-0290200000-34c9e89ac48e030be999 +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.061138 [(M-H)-(HCOOH)]- 1985 m-Methylhippuric acid 193.073893217 C10H11NO3 YKAKNMHEIJUKEX-UHFFFAOYSA-N 2397 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [5.95]; fullscan high no curation splash10-0006-0901000000-2dfca6f3a3b24247e617 +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.061138 [(M-H)-(CO2)]- 392 (5-hydroxyindol-3-yl)acetic acid 191.058243153 C10H9NO3 DUUGKQCEGZLZNO-UHFFFAOYSA-N 2624 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [8.27]; fullscan high no curation splash10-0006-0923100000-079a57b313118f74a2b3 +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.061138 [(M-H)-(CO2)]- 392 (5-hydroxyindol-3-yl)acetic acid 191.058243153 C10H9NO3 DUUGKQCEGZLZNO-UHFFFAOYSA-N 2855 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [5.06]; fullscan high no curation splash10-0006-0923100000-079a57b313118f74a2b3 +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.061138 [(M-H)-(HCOOH)]- 1985 m-Methylhippuric acid 193.073893217 C10H11NO3 YKAKNMHEIJUKEX-UHFFFAOYSA-N 2990 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [6.66]; fullscan high no curation splash10-0006-0901000000-2dfca6f3a3b24247e617 +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.061138 [(M-H)-(NH3)-(CO2)]- 1121 L-kynurenine 208.084792254 C10H12N2O3 YGPSJZOEDVAXAB-QMMMGPOBSA-N 3572 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [9.6]; fullscan high no curation splash10-0a4i-0290200000-34c9e89ac48e030be999 +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.061138 [(M-H)-(NH3)-(CO2)]- 1121 L-kynurenine 208.084792254 C10H12N2O3 YGPSJZOEDVAXAB-QMMMGPOBSA-N 6706 null; LC-ESI-FT; MS; NEGATIVE; 2017-01-01; 15kV; Hypersil GOLD C18; [4.47]; fullscan high no curation splash10-0a4i-0290200000-4806f5f5510feda03461 +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.06522 [(M-H)]- (13C) 1002 L-glutamine 146.06914219 C5H10N2O3 ZDXPYRJPNDTMRX-VKHMYHEASA-N 1535 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.85]; fullscan high no curation splash10-0002-0932000000-f349a6b0d98e82163e6c +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.06522 [(M-H)]- (13C) 1002 L-glutamine 146.06914219 C5H10N2O3 ZDXPYRJPNDTMRX-VKHMYHEASA-N 1688 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.17]; fullscan high no curation splash10-0002-0932000000-f349a6b0d98e82163e6c +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.06522 [(M-H)]- (13C) 1002 L-glutamine 146.06914219 C5H10N2O3 ZDXPYRJPNDTMRX-VKHMYHEASA-N 3361 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.87]; fullscan high no curation splash10-0002-0932000000-f349a6b0d98e82163e6c +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.06522 [(M-H)]- (13C) 1002 L-glutamine 146.06914219 C5H10N2O3 ZDXPYRJPNDTMRX-VKHMYHEASA-N 3547 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.14]; fullscan high no curation splash10-0002-0932000000-f349a6b0d98e82163e6c +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.0652203 [(M-H)-(C8H6O)]- (13C) 1405 Phenylacetyglutamine 264.111007002 C13H16N2O4 JFLIEFSWGNOPJJ-JTQLQIEISA-N 1564 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [4.92]; fullscan high no curation splash10-03di-0091000000-b108e5019eb64328bfe7 +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.0652203 [(M-H)-(C8H6O)]- (13C) 1405 Phenylacetyglutamine 264.111007002 C13H16N2O4 JFLIEFSWGNOPJJ-JTQLQIEISA-N 1639 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.74]; fullscan high no curation splash10-03di-0091000000-b108e5019eb64328bfe7 +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.0652203 [(M-H)-(C8H6O)]- (13C) 1405 Phenylacetyglutamine 264.111007002 C13H16N2O4 JFLIEFSWGNOPJJ-JTQLQIEISA-N 2645 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [5.73]; fullscan high no curation splash10-03di-0091000000-b108e5019eb64328bfe7 +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.065222 [(M-H)]- (13C) 1198 D-Glutamine 146.06914219 C5H10N2O3 ZDXPYRJPNDTMRX-GSVOUGTGSA-N 1666 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.17]; fullscan high no curation splash10-0002-0921000000-c249058befbd84422f17 +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.065222 [(M-H)]- (13C) 1198 D-Glutamine 146.06914219 C5H10N2O3 ZDXPYRJPNDTMRX-GSVOUGTGSA-N 1779 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.94]; fullscan high no curation splash10-0002-0921000000-c249058befbd84422f17 +M146T52 M146.0651T0.87 146.0651147 146.064687 146.065557 0.87365672 0.855517723 0.900126739 0 68 0 68 [11][M+1]- 33 Inf 55.98071418 0 1 1 0.316542074 0.209809578 1 4483.764533 1419.300123 0.316542074 4290.12222 900.108732 0.209809578 0.662817348 0.706244362 0.000114932 2573.661732 6468.623978 3894.962246 0.692317928 0.692704504 0.828852751 0.691195028 0.82588821 0.877941452 0.609550581 0.946397123 0.605022376 0.945187541 0.877941452 3768.995831 6066.991236 3958.041215 5693.833412 10941.3552 4374.362589 4706.764327 3328.227128 3285.700162 3326.46555 4903.531864 5151.278808 4095.500427 5391.766005 2491.269716 4912.468805 5448.444392 3205.530123 6147.703497 3621.777447 7300.462407 3097.77046 8713.583747 4933.954509 3052.457857 3667.769052 4216.160133 6014.995793 2172.589819 4091.825745 3812.474611 5143.587673 2187.540799 4373.101035 4906.728619 2498.149923 5016.127114 2951.268251 4131.12192 5176.627472 7752.073488 5340.776535 5524.878331 4132.050682 4455.16151 3491.757359 3832.939138 1799.086085 6442.717562 3250.242339 3438.817625 4015.224968 3483.887733 4310.584621 5503.11472 4415.478866 7436.14096 3498.730151 3217.719724 1926.599216 4345.41806 7194.352302 5007.339728 4453.269323 6863.116013 6597.783115 4523.508121 5088.336988 4073.248861 5139.172157 3342.548302 2869.639514 2817.970429 3700.310534 4325.708331 3538.812338 6748.613063 4337.29317 4161.524568 6269.021764 5694.801665 2933.060545 4120.92402 2494.758175 3772.543698 3525.464998 4284.567218 3544.067823 4941.431881 7445.665262 4530.284867 4785.465422 4994.470433 4134.639792 3969.955712 4260.549679 6521.137704 1716.465936 2748.717564 4731.899183 3847.598012 4143.37549 4536.743637 3652.377951 3641.415995 4211.958323 6748.972188 4247.185868 2585.688665 5186.345237 6317.75258 6122.568462 3727.153359 3054.894695 2187.558965 4022.010111 3002.556371 6925.302448 2408.976136 4189.851157 1912.751765 3916.000892 2977.693652 No_result_found_in_bank_inhouse 146.065222 [(M-H)]- (13C) 1198 D-Glutamine 146.06914219 C5H10N2O3 ZDXPYRJPNDTMRX-GSVOUGTGSA-N 2209 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.15]; fullscan high no curation splash10-0002-0921000000-c249058befbd84422f17 +M147T56 M146.8667T0.93 146.8666917 146.8658569 146.8673689 0.92599289 0.893404719 0.946515815 0 177 0 177 48 27.0225521 68.95154666 0 1 1 0.162148835 0.141341399 1 1240.649997 201.1699518 0.162148835 1265.064565 178.805995 0.141341399 0.871676929 0.841949764 2.50E-07 900.2890789 1882.150046 981.8609675 0.025865512 0.026253174 0.853058507 0.025905663 0.852698807 0.895228214 0.207529252 0.298379218 0.2042396 0.296238334 0.895228214 1036.019976 1286.304882 1242.239307 1278.475892 1321.057775 1185.277911 954.6363585 1137.095869 1144.751855 966.5780792 974.8541584 824.839814 919.1560809 1276.613513 1339.484405 1478.118955 1200.608574 1246.616013 1464.929524 1542.773503 1576.042445 1212.791195 1036.264105 1124.1655 1174.469711 991.8588238 1229.369857 1134.202841 1319.786557 955.8027262 1281.019829 1227.62334 1284.966447 1191.161887 1112.310721 1640.62735 1408.474768 1258.015808 1537.030714 1113.573335 1232.107868 1673.369334 1173.508089 1196.812006 977.5805983 1024.00985 1652.147688 1543.47327 1571.04381 1187.253784 1571.122709 1531.313544 1039.806118 1244.224321 1641.598873 1268.165244 1377.952846 1322.960551 1420.904953 1380.187468 1268.988516 1330.059599 967.6636824 1469.127752 1504.319798 1022.519055 1594.737471 1399.519709 1191.735231 1047.068911 1246.08146 1341.931074 1269.653674 1152.346957 1188.739504 1125.58879 967.3381243 1007.901989 860.0518967 1360.750885 968.6432034 1431.133773 1117.785118 1217.522377 1255.168947 1313.998451 1176.167752 1315.354864 1245.723152 1083.844755 928.6001026 1086.084251 1355.182318 1371.892632 1490.240404 1034.979881 1121.054673 1242.48108 1095.417122 1074.572309 1348.805814 1064.956102 890.8698327 1654.244743 1562.906078 929.6364445 1075.230925 1181.300584 1350.818725 1263.901707 1495.265901 1379.686764 1287.515754 1000.060929 938.3087514 1217.115818 835.4717322 1458.943239 1237.971685 1775.914633 1158.857843 1281.183104 978.2718173 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M147T45 M146.9613T0.75 146.9612804 146.9608917 146.9661577 0.747896179 0.719802027 1.172262496 0 176 1 172 [M+Cl]- 111.997 79 30.54845495 34.9023693 0 1 0 0.513207707 0.296361089 1 4135.541589 2122.391817 0.513207707 3754.285673 1112.624191 0.296361089 0.577468118 0.754926697 2.01E-05 1646.57464 7065.809933 5419.235293 0.556698489 0.558050286 0.907981747 0.556214129 0.905542086 0.896173123 0.643592366 0.956161981 0.643109369 0.95563747 0.896173123 7404.163176 3857.062383 5728.001344 7009.074821 5413.841071 6817.351348 4734.898125 3331.193996 2511.672372 3013.590317 1657.787072 26913.00682 2371.093695 5913.676369 4399.591946 2271.126635 4940.614469 2106.597516 3431.112316 3250.952719 2428.578164 4642.331469 3952.76516 3082.187433 5482.036287 3623.883386 6389.561226 2734.584697 3005.259729 3102.102818 2339.948325 3848.731794 3569.657086 2794.15643 3518.193991 2451.275607 3341.607232 6455.164609 4843.182083 3880.306266 3469.690027 6485.362991 5216.472141 3096.8962 5611.444928 4721.360919 5805.762473 6301.048725 7337.165645 3771.037158 8780.74581 5944.502821 7137.480862 5044.171215 4853.609008 4579.697776 1533.869571 3870.599589 1579.687806 2632.465903 3064.615171 3705.83557 3272.879878 3536.334733 1567.191924 3195.821936 5422.727249 2127.209065 4342.319151 4124.404308 4533.330693 6170.883283 2099.308251 2567.718644 3452.562345 3372.171841 4907.545568 4132.48546 2023.291633 5419.047689 1722.349131 3505.095027 7021.393367 5649.180191 3736.481163 2534.58149 4021.591502 5122.270481 3671.706793 4794.756006 6609.030574 4448.534152 3990.86971 2804.284286 1745.258249 4695.512991 3651.779217 2022.25031 2724.102374 4567.245035 5389.631327 4781.695635 5036.734211 4433.68141 2134.496287 3522.797527 2360.513346 5341.989747 7586.04197 3232.820667 4865.063567 5176.922096 2745.970168 2683.490756 4758.848566 3984.801704 1879.588985 4102.814737 6024.59086 6824.46131 3919.541795 2828.234728 3085.441641 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M150T1106 M150.0019T18.43 150.0018766 150.000963 150.0040052 18.42714166 18.41045348 18.54681794 0 225 0 224 432 103.6977933 28.1260836 0 0 0 0.677125386 0.090266377 1 9961.605394 6745.255901 0.677125386 9432.411472 851.4296098 0.090266377 0.133308216 0.991580996 4.99E-21 7189.211312 11303.82868 4114.617366 0.819778203 0.821245135 0.797864997 0.819565742 0.810685871 0.953173798 0.545535125 0.699823706 0.548555348 0.701953625 0.953173798 4890.710924 3952.174385 4197.682236 6196.680238 6923.662692 6616.341678 6437.591761 3735.720923 3856.289299 5465.4499 7558.782717 4651.850705 4046.160756 3746.163853 6071.139849 5874.62289 6608.866792 7121.129008 4657.921627 5222.809417 5449.191669 11078.84844 16655.11316 11870.11848 21260.71059 22258.07391 13466.63311 10171.18374 20483.33282 19329.86371 13371.50266 28188.31656 24257.97739 16723.45497 11538.01999 34795.84327 9131.867741 14396.0539 9027.526234 9914.901949 18342.53214 17887.79 15343.80464 18619.74446 13092.79621 19590.93697 19303.35838 21076.68112 25453.21821 27731.82591 14525.83858 46403.02253 23982.63682 30644.30386 18414.68329 24447.14757 14814.72046 18809.61592 133.8593774 25127.58866 12986.25832 15351.27953 22736.15766 27993.69831 14964.71891 10360.33607 9083.053956 10720.05392 18124.17996 6144.356038 4301.262795 4728.748645 5090.453771 11654.41463 6031.164912 7843.290772 6196.680238 10318.54578 9618.888029 6118.607713 4612.927056 7889.159053 5385.12122 6729.044448 3452.329349 4181.918848 5479.690259 5199.629859 4328.11987 7028.528232 8206.356648 4144.893914 4541.526978 4470.523463 8371.432554 10117.7917 13346.94232 12210.63342 9193.575965 9490.724795 8344.108113 7169.483219 18102.03746 17376.97355 32668.45399 22742.80316 20153.35966 15506.80192 31246.19638 16282.43672 6594.235713 16073.13992 10495.1448 14057.13334 15448.89113 8414.585607 8929.654639 16647.92938 11292.4166 11044.67753 10619.51061 17641.90646 28933.56203 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M150T1027 M150.0019T17.12 150.0018799 150.0009763 150.0028984 17.12381711 17.11135393 17.13968682 0 148 0 148 118 33.95304481 28.74865567 0 0 1 0.638125263 0.130753931 1 2553.544343 1629.481155 0.638125263 2455.850141 321.11206 0.130753931 0.204903236 0.968827173 8.06E-15 1872.619534 3250.098254 1377.47872 0.641517174 0.640570064 0.787240672 0.643920867 0.793198186 0.960920052 0.49728049 0.584402707 0.498156671 0.582994349 0.960920052 1427.103413 1012.742073 1253.911252 1225.045891 1226.715342 1219.272819 1053.807543 806.1906662 656.0104428 917.1048727 1207.126006 1172.676698 675.8356803 873.7528403 1021.825726 1380.304548 1140.759039 1331.442283 1118.821365 908.6815424 1115.357522 3280.259545 3074.73818 3163.643489 4869.008976 4471.821618 3270.057357 2841.506068 4532.590466 3961.818201 3963.791277 6420.078968 6374.426138 5582.560683 1865.85689 5714.510695 2144.85088 5653.585537 1658.026296 3017.007459 4697.253129 4916.923565 3607.015424 4960.058102 2020.575221 4796.698885 3970.718963 4365.333864 5633.582256 4836.679772 3611.633881 9548.661188 5142.652592 6679.367526 3961.950027 6065.189507 4346.655344 4541.068073 4921.154316 4947.386236 4652.584441 4478.749305 6815.518711 7738.198187 4225.161306 2347.827662 2968.513654 2432.772566 5467.012981 1376.300379 1040.307585 985.3642788 1494.761027 1726.148546 1888.949178 1319.724273 1134.985967 1763.096207 2087.69836 1156.581192 1073.983787 1846.500694 1091.110619 961.7488346 1058.781416 1011.9458 1624.732742 1098.184794 809.6391785 1589.904046 2199.540455 1102.375855 1509.081037 1086.654558 2713.556869 2679.860051 3257.167257 2953.224846 2897.029745 2646.433849 2366.959545 1654.562453 6977.334893 4537.63464 5686.47598 5375.291923 4197.023388 4390.219512 5925.365641 4238.589507 1711.893449 3804.454488 2094.795023 3429.983755 2832.077952 1676.500126 2510.981642 3419.193343 3538.893173 3949.935904 2581.475936 4149.856794 6910.429221 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M151T53 M150.8866T0.89 150.8865784 150.8841428 150.8868793 0.891558234 0.737536304 0.919972222 0 166 0 165 [M+Cl]- 115.917 45 Inf 35.58247196 0 1 1 0.235659871 0.179813987 1 70787.59109 16681.79456 0.235659871 63694.12778 11453.09508 0.179813987 0.763023364 0.967406787 1.31E-14 30319.46666 90624.50411 60305.03745 0.826636221 0.828047226 0.871363817 0.823770286 0.870403889 0.843428085 0.802644269 0.776961451 0.797263677 0.774092083 0.843428085 68290.46839 72805.39993 62171.58187 63105.72894 59543.95046 64665.2595 67086.91562 42897.4771 97049.61432 68783.22178 41275.14238 41586.16195 93207.26706 56420.89765 106177.6049 36228.18577 84550.31045 91876.47604 72428.8579 63100.45722 64634.96568 66377.47598 61047.04764 62919.94884 84302.37974 67126.60673 79239.94015 68524.40299 42172.25063 49763.79558 68740.50534 106676.2997 89909.82117 72616.94826 72958.06595 99496.84625 56317.27209 64473.23563 58373.71537 66494.6686 45439.40017 44490.13463 67329.43424 90702.7874 63398.80258 85008.31053 72992.4317 87047.32265 57505.78221 75418.39456 75047.10571 62951.94523 65661.02493 64946.29612 50569.98895 78756.08693 64807.10634 59201.07997 49910.95665 86504.20267 34778.45215 75411.72969 62307.86018 83572.77286 36918.63319 49286.26317 64961.57604 64937.84959 98920.56555 71325.58954 76834.7626 97839.34026 61330.27164 74559.92086 58161.53138 70868.02398 67504.75793 60201.84425 49594.23927 60067.13692 69484.78136 37213.3333 58753.53866 80853.01872 73040.29935 77453.10773 97662.77127 90908.20557 95716.17841 77964.98006 72877.45882 59622.04853 77664.46445 82327.01612 65486.00688 66770.16452 76073.56163 38220.79133 30198.45137 61268.20731 90315.98091 61604.98876 74158.37906 79141.68933 70622.28713 71642.79393 70527.68348 77927.60438 98708.52975 64686.26936 56004.95925 62019.07716 70752.69921 78575.90894 91147.57716 81527.11298 63116.81808 76774.92051 62364.44159 73263.69196 54302.34068 44108.97605 99973.03216 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 250 3-hydroxyphenylacetic acid 152.047344116 C8H8O3 FVMDYYGIDFPZAX-UHFFFAOYSA-N 997 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [9.68]; fullscan high no curation splash10-0udj-0902000000-497d74736d5e77048a53 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 1971 4-Methoxybenzoic Acid 152.047344116 C8H8O3 ZEYHEAKUIGZSGI-UHFFFAOYSA-N 1026 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [7.27]; fullscan high no curation splash10-0udi-0900000000-0c6b900cac681777c220 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 442 3-methylsalicylic acid 152.047344116 C8H8O3 WHSXTWFYRGOBGO-UHFFFAOYSA-N 1095 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [13.63]; fullscan high no curation splash10-0udi-0900000000-2f7515a326244ac6077c +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 250 3-hydroxyphenylacetic acid 152.047344116 C8H8O3 FVMDYYGIDFPZAX-UHFFFAOYSA-N 1174 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [5.22]; fullscan high no curation splash10-0udj-0902000000-497d74736d5e77048a53 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 1971 4-Methoxybenzoic Acid 152.047344116 C8H8O3 ZEYHEAKUIGZSGI-UHFFFAOYSA-N 1203 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [7.4]; fullscan high no curation splash10-0udi-0900000000-0c6b900cac681777c220 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 450 4-Hydroxy-3-methylbenzoic acid 152.047344116 C8H8O3 LTFHNKUKQYVHDX-UHFFFAOYSA-N 1205 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [9.49]; fullscan high no curation splash10-0udi-0900000000-889ef22c31d5e99fc6f9 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)-(H2O)]- (13C) 2043 3,4-Dihydroxyphenylethyleneglycol 170.0579088 C8H10O4 MTVWFVDWRVYDOR-UHFFFAOYSA-N 1277 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.66]; fullscan high no curation splash10-014i-0942000000-74b87e33a59b0fcd3391 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 250 3-hydroxyphenylacetic acid 152.047344116 C8H8O3 FVMDYYGIDFPZAX-UHFFFAOYSA-N 1339 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [6.06]; fullscan high no curation splash10-0udj-0902000000-497d74736d5e77048a53 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 517 2-(hydroxyphenyl)acetic acid 152.047344116 C8H8O3 CCVYRRGZDBSHFU-UHFFFAOYSA-N 1447 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [6.32]; fullscan high no curation splash10-0udi-0901000000-44958114edca366bcd5c +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 449 4-Hydroxy-2-methylbenzoic acid 152.047344116 C8H8O3 BBMFSGOFUHEVNP-UHFFFAOYSA-N 1656 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [9.17]; fullscan high no curation splash10-0udi-0900000000-1a5b311c4edec30516ed +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 2039 Resorcinol monoacetate 152.047344116 C8H8O3 ZZPKZRHERLGEKA-UHFFFAOYSA-N 2048 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [11.24]; fullscan high no curation splash10-0udi-0900000000-119b71ae8a756bb3d486 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 517 2-(hydroxyphenyl)acetic acid 152.047344116 C8H8O3 CCVYRRGZDBSHFU-UHFFFAOYSA-N 2225 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.89]; fullscan high no curation splash10-0udi-0901000000-44958114edca366bcd5c +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 2039 Resorcinol monoacetate 152.047344116 C8H8O3 ZZPKZRHERLGEKA-UHFFFAOYSA-N 2294 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [8.32]; fullscan high no curation splash10-0udi-0900000000-119b71ae8a756bb3d486 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 449 4-Hydroxy-2-methylbenzoic acid 152.047344116 C8H8O3 BBMFSGOFUHEVNP-UHFFFAOYSA-N 2394 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [10.29]; fullscan high no curation splash10-0udi-0900000000-1a5b311c4edec30516ed +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 450 4-Hydroxy-3-methylbenzoic acid 152.047344116 C8H8O3 LTFHNKUKQYVHDX-UHFFFAOYSA-N 2417 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [5.8]; fullscan high no curation splash10-0udi-0900000000-889ef22c31d5e99fc6f9 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 449 4-Hydroxy-2-methylbenzoic acid 152.047344116 C8H8O3 BBMFSGOFUHEVNP-UHFFFAOYSA-N 2513 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [6.22]; fullscan high no curation splash10-0udi-0900000000-1a5b311c4edec30516ed +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 450 4-Hydroxy-3-methylbenzoic acid 152.047344116 C8H8O3 LTFHNKUKQYVHDX-UHFFFAOYSA-N 2709 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [6.47]; fullscan high no curation splash10-0udi-0900000000-889ef22c31d5e99fc6f9 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 250 3-hydroxyphenylacetic acid 152.047344116 C8H8O3 FVMDYYGIDFPZAX-UHFFFAOYSA-N 2745 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [8.69]; fullscan high no curation splash10-0udj-0902000000-497d74736d5e77048a53 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 517 2-(hydroxyphenyl)acetic acid 152.047344116 C8H8O3 CCVYRRGZDBSHFU-UHFFFAOYSA-N 2944 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [8.94]; fullscan high no curation splash10-0udi-0901000000-44958114edca366bcd5c +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)-(H2O)]- (13C) 2043 3,4-Dihydroxyphenylethyleneglycol 170.0579088 C8H10O4 MTVWFVDWRVYDOR-UHFFFAOYSA-N 2979 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.02]; fullscan high no curation splash10-014i-0942000000-74b87e33a59b0fcd3391 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 442 3-methylsalicylic acid 152.047344116 C8H8O3 WHSXTWFYRGOBGO-UHFFFAOYSA-N 3101 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [8.61]; fullscan high no curation splash10-0udi-0900000000-2f7515a326244ac6077c +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 517 2-(hydroxyphenyl)acetic acid 152.047344116 C8H8O3 CCVYRRGZDBSHFU-UHFFFAOYSA-N 3180 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [5.56]; fullscan high no curation splash10-0udi-0901000000-44958114edca366bcd5c +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 2039 Resorcinol monoacetate 152.047344116 C8H8O3 ZZPKZRHERLGEKA-UHFFFAOYSA-N 3241 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [12.39]; fullscan high no curation splash10-0udi-0900000000-119b71ae8a756bb3d486 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 442 3-methylsalicylic acid 152.047344116 C8H8O3 WHSXTWFYRGOBGO-UHFFFAOYSA-N 3355 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [7.99]; fullscan high no curation splash10-0udi-0900000000-2f7515a326244ac6077c +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.043424 [(M-H)]- (13C) 442 3-methylsalicylic acid 152.047344116 C8H8O3 WHSXTWFYRGOBGO-UHFFFAOYSA-N 3593 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [14.65]; fullscan high no curation splash10-0udi-0900000000-2f7515a326244ac6077c +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.046378 [(M-H)]- (18O) 2069 Guanine 151.049409805 C5H5N5O UYTPUPDQBNUYGX-UHFFFAOYSA-N 1606 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.07]; fullscan high no curation splash10-0f79-0900000000-a5f45bb541a37c2f5fd6 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.046378 [(M-H)]- (18O) 2069 Guanine 151.049409805 C5H5N5O UYTPUPDQBNUYGX-UHFFFAOYSA-N 2305 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.89]; fullscan high no curation splash10-0f79-0900000000-a5f45bb541a37c2f5fd6 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.046378 [(M-H)]- (18O) 2069 Guanine 151.049409805 C5H5N5O UYTPUPDQBNUYGX-UHFFFAOYSA-N 2630 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.03]; fullscan high no curation splash10-0f79-0900000000-a5f45bb541a37c2f5fd6 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.04655 [(M-H)-(C3H6O3)]- 1116 Cytidine 243.085520531 C9H13N3O5 UHDGCWIWMRVCDJ-XVFCMESISA-N 981 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.9]; fullscan high no curation splash10-000l-0090000000-7807017f3d6e113abdac +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.04655 [(M-H)-(C3H6O3)]- 1116 Cytidine 243.085520531 C9H13N3O5 UHDGCWIWMRVCDJ-XVFCMESISA-N 1446 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.07]; fullscan high no curation splash10-000l-0090000000-7807017f3d6e113abdac +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.04655 [(M-H)-(C3H6O3)]- 1116 Cytidine 243.085520531 C9H13N3O5 UHDGCWIWMRVCDJ-XVFCMESISA-N 3599 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.0]; fullscan high no curation splash10-000l-0090000000-7807017f3d6e113abdac +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.046551 [(M-H)-(HCN)]- 665 Theophylline 180.064725516 C7H8N4O2 ZFXYFBGIUFBOJW-UHFFFAOYSA-N 975 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [5.11]; fullscan high no curation splash10-004i-0900000000-82362a085e0216ea4373 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.046551 [(M-H)-(NHCO)]- 2044 3,7-Dimethyluric acid 196.059640136 C7H8N4O3 HMLZLHKHNBLLJD-UHFFFAOYSA-N 1481 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [3.56]; fullscan high no curation splash10-0002-0902100000-a2cc0529096b0d835595 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.046551 [(M-H)-(C5H8O4)]- 2033 N-Acetylcytidine 285.096085215 C11H15N3O6 NIDVTARKFBZMOT-PEBGCTIMSA-N 1507 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.64]; fullscan high no curation splash10-001i-0092200000-652501103b336a6ac8a6 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.046551 [(M-H)-(NHCO)]- 2044 3,7-Dimethyluric acid 196.059640136 C7H8N4O3 HMLZLHKHNBLLJD-UHFFFAOYSA-N 2322 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.18]; fullscan high no curation splash10-0002-0902100000-a2cc0529096b0d835595 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.046551 [(M-H)-(HCN)]- 665 Theophylline 180.064725516 C7H8N4O2 ZFXYFBGIUFBOJW-UHFFFAOYSA-N 2448 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [3.3]; fullscan high no curation splash10-004i-0900000000-82362a085e0216ea4373 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.046551 [(M-H)-(NHCO)]- 2044 3,7-Dimethyluric acid 196.059640136 C7H8N4O3 HMLZLHKHNBLLJD-UHFFFAOYSA-N 2793 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [4.3]; fullscan high no curation splash10-0002-0902100000-a2cc0529096b0d835595 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.046551 [(M-H)-(C5H8O4)]- 2033 N-Acetylcytidine 285.096085215 C11H15N3O6 NIDVTARKFBZMOT-PEBGCTIMSA-N 2833 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.18]; fullscan high no curation splash10-001i-0092200000-652501103b336a6ac8a6 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.046551 [(M-H)-(HCN)]- 665 Theophylline 180.064725516 C7H8N4O2 ZFXYFBGIUFBOJW-UHFFFAOYSA-N 2913 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [6.85]; fullscan high no curation splash10-004i-0900000000-82362a085e0216ea4373 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.046551 [(M-H)-(HCN)]- 665 Theophylline 180.064725516 C7H8N4O2 ZFXYFBGIUFBOJW-UHFFFAOYSA-N 2921 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.86]; fullscan high no curation splash10-004i-0900000000-82362a085e0216ea4373 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.046551 [(M-H)-(NHCO)]- 2044 3,7-Dimethyluric acid 196.059640136 C7H8N4O3 HMLZLHKHNBLLJD-UHFFFAOYSA-N 3036 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.02]; fullscan high no curation splash10-0002-0902100000-a2cc0529096b0d835595 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.048381 [(M+Cl)]- 487 glycine betaine 117.078978597 C5H11NO2 KWIUHFFTVRNATP-UHFFFAOYSA-N 891 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.14]; fullscan high no curation splash10-03di-0900000000-0ab1c10e3ee026a78561 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.048381 [(M+Cl)]- 487 glycine betaine 117.078978597 C5H11NO2 KWIUHFFTVRNATP-UHFFFAOYSA-N 1415 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.85]; fullscan high no curation splash10-03di-0900000000-0ab1c10e3ee026a78561 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.048381 [(M+Cl)]- 487 glycine betaine 117.078978597 C5H11NO2 KWIUHFFTVRNATP-UHFFFAOYSA-N 1902 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.86]; fullscan high no curation splash10-03di-0900000000-0ab1c10e3ee026a78561 +M152T56 M152.0483T0.93 152.0483328 152.0470927 152.0493923 0.925759666 0.897749152 0.946055429 0 79 0 79 840 Inf 40.0438376 0 1 1 0.427133509 0.232603798 1 467.1158135 199.5208165 0.427133509 447.8973081 104.1826151 0.232603798 0.544569305 0.836428924 3.55E-07 238.2856488 719.3885278 481.102879 0.394455656 0.399017341 0.907981747 0.401772812 0.905542086 0.924056199 0.643592366 0.787073414 0.643204029 0.788005285 0.924056199 359.4645097 984.9689529 286.7159885 389.3867284 247.7361722 554.6552409 505.911908 582.1723145 348.7538598 509.8403318 537.8311364 433.4989743 214.1039993 408.0374393 441.37038 252.1426675 604.4561057 943.4935507 638.7660414 708.4929262 426.2339521 307.6501593 490.9317366 553.5071566 493.8042316 252.9474857 724.9568246 365.1126654 593.812826 472.0369397 428.6537143 444.5276658 425.8918893 256.4555865 718.0101224 534.9068168 329.2705494 569.2569973 436.5532041 442.2528149 698.5594157 376.2154608 511.1092866 305.8748195 321.5203215 304.1083765 524.0756327 267.5585458 1037.139321 246.5625071 657.9488851 430.3677704 584.8913609 741.8749693 679.759846 615.0310431 418.7635627 410.1475223 305.9746204 442.8860518 381.9620922 293.2858516 481.2042765 353.1724887 478.0050292 1358.44637 690.8345024 272.504449 575.9792319 468.508634 237.8033295 395.9984243 472.5496649 550.6855383 374.4134869 353.2460742 514.5261929 516.0160899 491.1951594 310.3321289 1112.765459 408.3881605 225.6254098 559.3078965 353.0369124 381.6726846 243.7566262 506.1454138 170.6692245 377.0566031 358.4216728 651.3940637 421.2655915 598.6253948 328.9921815 414.1568347 342.4217993 250.4278426 258.778336 413.5894347 477.3662074 586.376999 202.6538522 513.8267082 507.8794572 367.8592098 448.8387321 575.6447057 446.1158822 444.4372633 442.0521816 463.4415085 370.8758954 243.8439433 402.6445328 357.9381167 341.8999253 177.0540499 176.2461663 547.6314066 343.1285762 367.2217922 335.4593151 No_result_found_in_bank_inhouse 152.048381 [(M+Cl)]- 487 glycine betaine 117.078978597 C5H11NO2 KWIUHFFTVRNATP-UHFFFAOYSA-N 2476 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.09]; fullscan high no curation splash10-03di-0900000000-0ab1c10e3ee026a78561 +M153T54 M152.8836T0.89 152.8836255 152.8833026 152.8838967 0.892117067 0.857109048 0.916815917 0 167 0 167 45 6491.338302 35.39396387 0 1 1 0.237181224 0.187880525 1 68602.37709 16271.19579 0.237181224 61844.78228 11619.43017 0.187880525 0.792139115 0.967470269 1.28E-14 28992.73857 90416.68252 61423.94395 0.881028527 0.879790463 0.858784823 0.87792489 0.860184011 0.765470316 0.772964875 0.7878054 0.767698266 0.782453521 0.765470316 65148.93643 66232.34537 64165.13417 59187.95311 58863.13859 63753.17052 68390.54647 35448.67293 92509.75708 67802.84256 36526.33514 41531.41839 92319.45126 55356.85188 94629.28076 32806.77894 76492.24508 89647.53377 76163.2282 61170.79609 65553.81903 63871.18451 59500.57745 63988.13175 78232.7257 68012.69449 71891.72208 64877.41713 43112.9023 46209.31264 68779.32405 108193.1643 83480.04077 71396.39298 67588.01696 94621.25625 51718.74138 64510.5118 60033.89849 63895.80891 46161.47244 41639.14619 61180.39666 92206.20554 62539.4729 80907.65693 66331.94964 79900.35099 52866.42415 73092.76725 71879.91188 61459.17985 61853.91012 67339.17602 50049.52845 74444.60645 60594.79693 54138.61135 48501.02991 86638.51179 33258.55154 71050.85267 59529.56532 81635.08299 38191.25565 50010.81197 62302.44542 67521.73489 98939.17973 67616.03371 75814.12291 101650.2381 62996.63729 70504.38088 54998.04374 72181.7556 64379.94664 60353.27076 46145.30915 60522.06006 68764.04763 37430.09724 58684.2267 79398.83623 68983.36607 77056.98924 89764.55784 89815.54265 90134.19509 75852.84742 69793.99537 57034.87686 74776.3805 73256.80228 63273.49776 65390.64656 70503.51608 36510.54778 26147.32344 67322.70205 91402.60382 61613.26983 71799.41841 75520.82633 66494.26009 68568.84355 66427.51744 77533.71943 97113.86724 61583.78886 55319.34885 59834.10592 66563.51356 73708.84493 87265.64809 77862.57943 66291.21402 72637.14296 59198.42762 75830.4163 51572.97218 38283.18546 91903.30796 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M154T51 M154.0622T0.84 154.0621932 154.0614867 154.0624846 0.842843564 0.804950301 0.940944097 0 181 0 181 33 1617.466273 58.06758501 0 0 0 0.223035578 0.191685781 1 12790.5552 2852.748869 0.223035578 12061.84799 2312.084747 0.191685781 0.859440375 0.936996069 1.60E-11 7938.718605 16091.75481 8153.03621 0.964270498 0.964678143 0.760270093 0.96483897 0.74834805 0.896173123 0.456172995 0.6859287 0.457006051 0.68896116 0.896173123 13253.47568 13853.3251 11447.01759 10458.00701 13638.01414 9089.172335 13785.85438 13941.63236 12296.5376 11344.00987 11813.32822 14644.12155 13205.4078 19697.47958 10473.83611 18786.62494 11012.14652 9314.927376 14943.41768 13006.68176 11510.3216 15372.78406 9879.096367 9913.041999 9714.872904 10331.39898 19616.11783 15610.40348 16254.48874 14957.66193 11665.37057 13582.45003 11330.11884 7959.791984 15977.38329 15023.14821 10956.05327 16361.64811 12913.10191 11653.44373 11585.11845 15258.30349 10052.49433 10962.99878 15111.31095 14361.33989 14803.96536 13231.20543 23886.61713 10158.91847 17359.06225 14489.28017 16678.31472 13455.44633 18140.69208 8581.822754 10535.35352 16915.30485 9889.42066 10963.991 9395.296903 16592.07446 9083.74096 14028.9474 15751.43503 15294.02328 11627.75514 12220.42753 13295.69949 16236.10405 14566.34593 11099.92464 10731.81237 16270.96713 10064.42117 10526.81572 11359.85988 14167.2554 13265.933 11713.11437 7745.241063 18274.64129 16203.99332 14030.93183 14248.9084 9570.919202 17666.41265 16362.64032 13303.63722 13911.28698 16327.849 12488.03536 9789.186315 10413.31091 10020.39322 11549.77193 11330.5015 13303.63722 10746.69561 15116.41655 13636.96958 8929.53612 16182.89198 9549.731991 9102.934078 12353.09393 9788.268865 15202.73938 9441.931073 14811.30495 13004.98009 14433.31575 12757.91822 10054.12858 14164.88104 11274.53708 11337.06436 12216.16807 12035.10272 12972.73613 11622.82268 13774.94 10800.2753 0.0000068#154.0622#0.082843564#0.76#L-Histidine#C6H9N3O2#C6H8N3O2#154.06219#100#154.0622#0.76#0.064908853 154.0621998 [M-H]- 1845 Histidine 155.069476543 C6H9N3O2 HNDVDQJCIGZPNO-YFKPBYRVSA-N 86 null; LC-ESI-NA; MS; NEGATIVE; 2017-01-01; 2.5kV; Acquity UPLC HSS T3; [0.76]; fullscan high no curation splash10-0udi-0900000000-e1bb468e19ac7698e926 +M154T51 M154.0622T0.84 154.0621932 154.0614867 154.0624846 0.842843564 0.804950301 0.940944097 0 181 0 181 33 1617.466273 58.06758501 0 0 0 0.223035578 0.191685781 1 12790.5552 2852.748869 0.223035578 12061.84799 2312.084747 0.191685781 0.859440375 0.936996069 1.60E-11 7938.718605 16091.75481 8153.03621 0.964270498 0.964678143 0.760270093 0.96483897 0.74834805 0.896173123 0.456172995 0.6859287 0.457006051 0.68896116 0.896173123 13253.47568 13853.3251 11447.01759 10458.00701 13638.01414 9089.172335 13785.85438 13941.63236 12296.5376 11344.00987 11813.32822 14644.12155 13205.4078 19697.47958 10473.83611 18786.62494 11012.14652 9314.927376 14943.41768 13006.68176 11510.3216 15372.78406 9879.096367 9913.041999 9714.872904 10331.39898 19616.11783 15610.40348 16254.48874 14957.66193 11665.37057 13582.45003 11330.11884 7959.791984 15977.38329 15023.14821 10956.05327 16361.64811 12913.10191 11653.44373 11585.11845 15258.30349 10052.49433 10962.99878 15111.31095 14361.33989 14803.96536 13231.20543 23886.61713 10158.91847 17359.06225 14489.28017 16678.31472 13455.44633 18140.69208 8581.822754 10535.35352 16915.30485 9889.42066 10963.991 9395.296903 16592.07446 9083.74096 14028.9474 15751.43503 15294.02328 11627.75514 12220.42753 13295.69949 16236.10405 14566.34593 11099.92464 10731.81237 16270.96713 10064.42117 10526.81572 11359.85988 14167.2554 13265.933 11713.11437 7745.241063 18274.64129 16203.99332 14030.93183 14248.9084 9570.919202 17666.41265 16362.64032 13303.63722 13911.28698 16327.849 12488.03536 9789.186315 10413.31091 10020.39322 11549.77193 11330.5015 13303.63722 10746.69561 15116.41655 13636.96958 8929.53612 16182.89198 9549.731991 9102.934078 12353.09393 9788.268865 15202.73938 9441.931073 14811.30495 13004.98009 14433.31575 12757.91822 10054.12858 14164.88104 11274.53708 11337.06436 12216.16807 12035.10272 12972.73613 11622.82268 13774.94 10800.2753 0.0000068#154.0622#0.082843564#0.76#L-Histidine#C6H9N3O2#C6H8N3O2#154.06219#100#154.0622#0.76#0.064908853 154.0621998 [(M-H)]- 1845 Histidine 155.069476543 C6H9N3O2 HNDVDQJCIGZPNO-YFKPBYRVSA-N 1461 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [3.58]; fullscan high no curation splash10-0000-0000000000-41c909b0fb34ba61c0d7 +M154T51 M154.0622T0.84 154.0621932 154.0614867 154.0624846 0.842843564 0.804950301 0.940944097 0 181 0 181 33 1617.466273 58.06758501 0 0 0 0.223035578 0.191685781 1 12790.5552 2852.748869 0.223035578 12061.84799 2312.084747 0.191685781 0.859440375 0.936996069 1.60E-11 7938.718605 16091.75481 8153.03621 0.964270498 0.964678143 0.760270093 0.96483897 0.74834805 0.896173123 0.456172995 0.6859287 0.457006051 0.68896116 0.896173123 13253.47568 13853.3251 11447.01759 10458.00701 13638.01414 9089.172335 13785.85438 13941.63236 12296.5376 11344.00987 11813.32822 14644.12155 13205.4078 19697.47958 10473.83611 18786.62494 11012.14652 9314.927376 14943.41768 13006.68176 11510.3216 15372.78406 9879.096367 9913.041999 9714.872904 10331.39898 19616.11783 15610.40348 16254.48874 14957.66193 11665.37057 13582.45003 11330.11884 7959.791984 15977.38329 15023.14821 10956.05327 16361.64811 12913.10191 11653.44373 11585.11845 15258.30349 10052.49433 10962.99878 15111.31095 14361.33989 14803.96536 13231.20543 23886.61713 10158.91847 17359.06225 14489.28017 16678.31472 13455.44633 18140.69208 8581.822754 10535.35352 16915.30485 9889.42066 10963.991 9395.296903 16592.07446 9083.74096 14028.9474 15751.43503 15294.02328 11627.75514 12220.42753 13295.69949 16236.10405 14566.34593 11099.92464 10731.81237 16270.96713 10064.42117 10526.81572 11359.85988 14167.2554 13265.933 11713.11437 7745.241063 18274.64129 16203.99332 14030.93183 14248.9084 9570.919202 17666.41265 16362.64032 13303.63722 13911.28698 16327.849 12488.03536 9789.186315 10413.31091 10020.39322 11549.77193 11330.5015 13303.63722 10746.69561 15116.41655 13636.96958 8929.53612 16182.89198 9549.731991 9102.934078 12353.09393 9788.268865 15202.73938 9441.931073 14811.30495 13004.98009 14433.31575 12757.91822 10054.12858 14164.88104 11274.53708 11337.06436 12216.16807 12035.10272 12972.73613 11622.82268 13774.94 10800.2753 0.0000068#154.0622#0.082843564#0.76#L-Histidine#C6H9N3O2#C6H8N3O2#154.06219#100#154.0622#0.76#0.064908853 154.0621998 [(M-H)]- 1845 Histidine 155.069476543 C6H9N3O2 HNDVDQJCIGZPNO-YFKPBYRVSA-N 1700 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [3.88]; fullscan high no curation splash10-0000-0000000000-41c909b0fb34ba61c0d7 +M154T51 M154.0622T0.84 154.0621932 154.0614867 154.0624846 0.842843564 0.804950301 0.940944097 0 181 0 181 33 1617.466273 58.06758501 0 0 0 0.223035578 0.191685781 1 12790.5552 2852.748869 0.223035578 12061.84799 2312.084747 0.191685781 0.859440375 0.936996069 1.60E-11 7938.718605 16091.75481 8153.03621 0.964270498 0.964678143 0.760270093 0.96483897 0.74834805 0.896173123 0.456172995 0.6859287 0.457006051 0.68896116 0.896173123 13253.47568 13853.3251 11447.01759 10458.00701 13638.01414 9089.172335 13785.85438 13941.63236 12296.5376 11344.00987 11813.32822 14644.12155 13205.4078 19697.47958 10473.83611 18786.62494 11012.14652 9314.927376 14943.41768 13006.68176 11510.3216 15372.78406 9879.096367 9913.041999 9714.872904 10331.39898 19616.11783 15610.40348 16254.48874 14957.66193 11665.37057 13582.45003 11330.11884 7959.791984 15977.38329 15023.14821 10956.05327 16361.64811 12913.10191 11653.44373 11585.11845 15258.30349 10052.49433 10962.99878 15111.31095 14361.33989 14803.96536 13231.20543 23886.61713 10158.91847 17359.06225 14489.28017 16678.31472 13455.44633 18140.69208 8581.822754 10535.35352 16915.30485 9889.42066 10963.991 9395.296903 16592.07446 9083.74096 14028.9474 15751.43503 15294.02328 11627.75514 12220.42753 13295.69949 16236.10405 14566.34593 11099.92464 10731.81237 16270.96713 10064.42117 10526.81572 11359.85988 14167.2554 13265.933 11713.11437 7745.241063 18274.64129 16203.99332 14030.93183 14248.9084 9570.919202 17666.41265 16362.64032 13303.63722 13911.28698 16327.849 12488.03536 9789.186315 10413.31091 10020.39322 11549.77193 11330.5015 13303.63722 10746.69561 15116.41655 13636.96958 8929.53612 16182.89198 9549.731991 9102.934078 12353.09393 9788.268865 15202.73938 9441.931073 14811.30495 13004.98009 14433.31575 12757.91822 10054.12858 14164.88104 11274.53708 11337.06436 12216.16807 12035.10272 12972.73613 11622.82268 13774.94 10800.2753 0.0000068#154.0622#0.082843564#0.76#L-Histidine#C6H9N3O2#C6H8N3O2#154.06219#100#154.0622#0.76#0.064908853 154.0621998 [(M-H)]- 1845 Histidine 155.069476543 C6H9N3O2 HNDVDQJCIGZPNO-YFKPBYRVSA-N 2192 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.83]; fullscan high no curation splash10-0000-0000000000-41c909b0fb34ba61c0d7 +M154T51 M154.0622T0.84 154.0621932 154.0614867 154.0624846 0.842843564 0.804950301 0.940944097 0 181 0 181 33 1617.466273 58.06758501 0 0 0 0.223035578 0.191685781 1 12790.5552 2852.748869 0.223035578 12061.84799 2312.084747 0.191685781 0.859440375 0.936996069 1.60E-11 7938.718605 16091.75481 8153.03621 0.964270498 0.964678143 0.760270093 0.96483897 0.74834805 0.896173123 0.456172995 0.6859287 0.457006051 0.68896116 0.896173123 13253.47568 13853.3251 11447.01759 10458.00701 13638.01414 9089.172335 13785.85438 13941.63236 12296.5376 11344.00987 11813.32822 14644.12155 13205.4078 19697.47958 10473.83611 18786.62494 11012.14652 9314.927376 14943.41768 13006.68176 11510.3216 15372.78406 9879.096367 9913.041999 9714.872904 10331.39898 19616.11783 15610.40348 16254.48874 14957.66193 11665.37057 13582.45003 11330.11884 7959.791984 15977.38329 15023.14821 10956.05327 16361.64811 12913.10191 11653.44373 11585.11845 15258.30349 10052.49433 10962.99878 15111.31095 14361.33989 14803.96536 13231.20543 23886.61713 10158.91847 17359.06225 14489.28017 16678.31472 13455.44633 18140.69208 8581.822754 10535.35352 16915.30485 9889.42066 10963.991 9395.296903 16592.07446 9083.74096 14028.9474 15751.43503 15294.02328 11627.75514 12220.42753 13295.69949 16236.10405 14566.34593 11099.92464 10731.81237 16270.96713 10064.42117 10526.81572 11359.85988 14167.2554 13265.933 11713.11437 7745.241063 18274.64129 16203.99332 14030.93183 14248.9084 9570.919202 17666.41265 16362.64032 13303.63722 13911.28698 16327.849 12488.03536 9789.186315 10413.31091 10020.39322 11549.77193 11330.5015 13303.63722 10746.69561 15116.41655 13636.96958 8929.53612 16182.89198 9549.731991 9102.934078 12353.09393 9788.268865 15202.73938 9441.931073 14811.30495 13004.98009 14433.31575 12757.91822 10054.12858 14164.88104 11274.53708 11337.06436 12216.16807 12035.10272 12972.73613 11622.82268 13774.94 10800.2753 0.0000068#154.0622#0.082843564#0.76#L-Histidine#C6H9N3O2#C6H8N3O2#154.06219#100#154.0622#0.76#0.064908853 154.0622006 [(M-H)-(C3H5NO)]- 1026 carnosine 226.106590328 C9H14N4O3 CQOVPNPJLQNMDC-ZETCQYMHSA-N 1852 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [10.65]; fullscan high no curation splash10-004i-0090000000-4b668ddc7fb8a6678d5f +M154T51 M154.0622T0.84 154.0621932 154.0614867 154.0624846 0.842843564 0.804950301 0.940944097 0 181 0 181 33 1617.466273 58.06758501 0 0 0 0.223035578 0.191685781 1 12790.5552 2852.748869 0.223035578 12061.84799 2312.084747 0.191685781 0.859440375 0.936996069 1.60E-11 7938.718605 16091.75481 8153.03621 0.964270498 0.964678143 0.760270093 0.96483897 0.74834805 0.896173123 0.456172995 0.6859287 0.457006051 0.68896116 0.896173123 13253.47568 13853.3251 11447.01759 10458.00701 13638.01414 9089.172335 13785.85438 13941.63236 12296.5376 11344.00987 11813.32822 14644.12155 13205.4078 19697.47958 10473.83611 18786.62494 11012.14652 9314.927376 14943.41768 13006.68176 11510.3216 15372.78406 9879.096367 9913.041999 9714.872904 10331.39898 19616.11783 15610.40348 16254.48874 14957.66193 11665.37057 13582.45003 11330.11884 7959.791984 15977.38329 15023.14821 10956.05327 16361.64811 12913.10191 11653.44373 11585.11845 15258.30349 10052.49433 10962.99878 15111.31095 14361.33989 14803.96536 13231.20543 23886.61713 10158.91847 17359.06225 14489.28017 16678.31472 13455.44633 18140.69208 8581.822754 10535.35352 16915.30485 9889.42066 10963.991 9395.296903 16592.07446 9083.74096 14028.9474 15751.43503 15294.02328 11627.75514 12220.42753 13295.69949 16236.10405 14566.34593 11099.92464 10731.81237 16270.96713 10064.42117 10526.81572 11359.85988 14167.2554 13265.933 11713.11437 7745.241063 18274.64129 16203.99332 14030.93183 14248.9084 9570.919202 17666.41265 16362.64032 13303.63722 13911.28698 16327.849 12488.03536 9789.186315 10413.31091 10020.39322 11549.77193 11330.5015 13303.63722 10746.69561 15116.41655 13636.96958 8929.53612 16182.89198 9549.731991 9102.934078 12353.09393 9788.268865 15202.73938 9441.931073 14811.30495 13004.98009 14433.31575 12757.91822 10054.12858 14164.88104 11274.53708 11337.06436 12216.16807 12035.10272 12972.73613 11622.82268 13774.94 10800.2753 0.0000068#154.0622#0.082843564#0.76#L-Histidine#C6H9N3O2#C6H8N3O2#154.06219#100#154.0622#0.76#0.064908853 154.0622006 [(M-H)-(C3H5NO)]- 1026 carnosine 226.106590328 C9H14N4O3 CQOVPNPJLQNMDC-ZETCQYMHSA-N 2812 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.15]; fullscan high no curation splash10-004i-0090000000-4b668ddc7fb8a6678d5f +M154T51 M154.0622T0.84 154.0621932 154.0614867 154.0624846 0.842843564 0.804950301 0.940944097 0 181 0 181 33 1617.466273 58.06758501 0 0 0 0.223035578 0.191685781 1 12790.5552 2852.748869 0.223035578 12061.84799 2312.084747 0.191685781 0.859440375 0.936996069 1.60E-11 7938.718605 16091.75481 8153.03621 0.964270498 0.964678143 0.760270093 0.96483897 0.74834805 0.896173123 0.456172995 0.6859287 0.457006051 0.68896116 0.896173123 13253.47568 13853.3251 11447.01759 10458.00701 13638.01414 9089.172335 13785.85438 13941.63236 12296.5376 11344.00987 11813.32822 14644.12155 13205.4078 19697.47958 10473.83611 18786.62494 11012.14652 9314.927376 14943.41768 13006.68176 11510.3216 15372.78406 9879.096367 9913.041999 9714.872904 10331.39898 19616.11783 15610.40348 16254.48874 14957.66193 11665.37057 13582.45003 11330.11884 7959.791984 15977.38329 15023.14821 10956.05327 16361.64811 12913.10191 11653.44373 11585.11845 15258.30349 10052.49433 10962.99878 15111.31095 14361.33989 14803.96536 13231.20543 23886.61713 10158.91847 17359.06225 14489.28017 16678.31472 13455.44633 18140.69208 8581.822754 10535.35352 16915.30485 9889.42066 10963.991 9395.296903 16592.07446 9083.74096 14028.9474 15751.43503 15294.02328 11627.75514 12220.42753 13295.69949 16236.10405 14566.34593 11099.92464 10731.81237 16270.96713 10064.42117 10526.81572 11359.85988 14167.2554 13265.933 11713.11437 7745.241063 18274.64129 16203.99332 14030.93183 14248.9084 9570.919202 17666.41265 16362.64032 13303.63722 13911.28698 16327.849 12488.03536 9789.186315 10413.31091 10020.39322 11549.77193 11330.5015 13303.63722 10746.69561 15116.41655 13636.96958 8929.53612 16182.89198 9549.731991 9102.934078 12353.09393 9788.268865 15202.73938 9441.931073 14811.30495 13004.98009 14433.31575 12757.91822 10054.12858 14164.88104 11274.53708 11337.06436 12216.16807 12035.10272 12972.73613 11622.82268 13774.94 10800.2753 0.0000068#154.0622#0.082843564#0.76#L-Histidine#C6H9N3O2#C6H8N3O2#154.06219#100#154.0622#0.76#0.064908853 154.0622006 [(M-H)-(C3H5NO)]- 1026 carnosine 226.106590328 C9H14N4O3 CQOVPNPJLQNMDC-ZETCQYMHSA-N 3334 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.82]; fullscan high no curation splash10-004i-0090000000-4b668ddc7fb8a6678d5f +M154T51 M154.0622T0.84 154.0621932 154.0614867 154.0624846 0.842843564 0.804950301 0.940944097 0 181 0 181 33 1617.466273 58.06758501 0 0 0 0.223035578 0.191685781 1 12790.5552 2852.748869 0.223035578 12061.84799 2312.084747 0.191685781 0.859440375 0.936996069 1.60E-11 7938.718605 16091.75481 8153.03621 0.964270498 0.964678143 0.760270093 0.96483897 0.74834805 0.896173123 0.456172995 0.6859287 0.457006051 0.68896116 0.896173123 13253.47568 13853.3251 11447.01759 10458.00701 13638.01414 9089.172335 13785.85438 13941.63236 12296.5376 11344.00987 11813.32822 14644.12155 13205.4078 19697.47958 10473.83611 18786.62494 11012.14652 9314.927376 14943.41768 13006.68176 11510.3216 15372.78406 9879.096367 9913.041999 9714.872904 10331.39898 19616.11783 15610.40348 16254.48874 14957.66193 11665.37057 13582.45003 11330.11884 7959.791984 15977.38329 15023.14821 10956.05327 16361.64811 12913.10191 11653.44373 11585.11845 15258.30349 10052.49433 10962.99878 15111.31095 14361.33989 14803.96536 13231.20543 23886.61713 10158.91847 17359.06225 14489.28017 16678.31472 13455.44633 18140.69208 8581.822754 10535.35352 16915.30485 9889.42066 10963.991 9395.296903 16592.07446 9083.74096 14028.9474 15751.43503 15294.02328 11627.75514 12220.42753 13295.69949 16236.10405 14566.34593 11099.92464 10731.81237 16270.96713 10064.42117 10526.81572 11359.85988 14167.2554 13265.933 11713.11437 7745.241063 18274.64129 16203.99332 14030.93183 14248.9084 9570.919202 17666.41265 16362.64032 13303.63722 13911.28698 16327.849 12488.03536 9789.186315 10413.31091 10020.39322 11549.77193 11330.5015 13303.63722 10746.69561 15116.41655 13636.96958 8929.53612 16182.89198 9549.731991 9102.934078 12353.09393 9788.268865 15202.73938 9441.931073 14811.30495 13004.98009 14433.31575 12757.91822 10054.12858 14164.88104 11274.53708 11337.06436 12216.16807 12035.10272 12972.73613 11622.82268 13774.94 10800.2753 0.0000068#154.0622#0.082843564#0.76#L-Histidine#C6H9N3O2#C6H8N3O2#154.06219#100#154.0622#0.76#0.064908853 154.0622006 [(M-H)-(C3H5NO)]- 1026 carnosine 226.106590328 C9H14N4O3 CQOVPNPJLQNMDC-ZETCQYMHSA-N 3383 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.86]; fullscan high no curation splash10-004i-0090000000-4b668ddc7fb8a6678d5f +M155T54 M154.8807T0.89 154.8806715 154.8802943 154.8812379 0.892117067 0.857633687 0.908581556 0 163 0 163 45 920.2049013 34.91010436 0 1 1 0.243007693 0.192439593 1 22047.00657 5357.5922 0.243007693 19980.06373 3844.955339 0.192439593 0.791907413 0.968532541 8.92E-15 8934.548893 29264.61228 20330.06339 0.910812113 0.911024122 0.828852751 0.909231303 0.82588821 0.765470316 0.720429018 0.823885858 0.706833215 0.819088137 0.765470316 21731.81375 20966.83394 21197.31466 18742.25598 18541.71373 19854.74489 23477.55665 11728.6888 28685.88825 22059.29373 11364.63736 10673.30109 29283.72651 16304.70439 31719.86946 9897.886976 24884.94573 30693.55044 22997.34179 19169.43657 20286.00629 19947.68705 19577.70779 21585.42963 24627.48315 21839.7009 22938.8395 20690.52395 14355.73219 13660.4362 20889.09243 35687.97669 28515.74009 22142.31824 21166.33271 29953.67498 15116.29232 20008.33226 21384.67678 20017.34013 14990.7462 14447.21681 19593.24569 34096.68305 19095.27364 25780.41853 21083.18058 28176.4205 17900.00137 24408.73343 23657.64827 19640.93152 20196.5059 21781.14402 16193.58269 23814.22479 21683.92261 16874.16466 15353.09498 31456.24708 10737.71439 24381.54584 21654.36997 27615.82899 11487.11675 16817.24367 21133.68325 20123.02894 33226.09713 22004.34741 23069.15746 31101.72912 19396.97698 21960.08828 18566.44571 21649.13421 21143.98928 19114.06787 16823.49326 18931.17615 22461.8975 12409.97907 19799.60447 25918.35959 23575.73968 24977.59569 33243.69702 26928.61025 29947.84859 24481.37317 22259.58823 18735.36181 24109.52302 22828.90899 19980.18648 21774.77947 23550.93103 13805.4817 8696.237224 22651.53562 27781.15591 19301.73065 22622.50798 24611.83772 20337.40426 21697.1715 21433.62416 24971.59485 30230.24422 19152.05099 16913.31733 18751.28509 20385.84949 25796.08414 31233.20306 24916.12732 19646.68217 24196.06246 19291.40932 24128.47292 16371.24107 12963.9683 29458.35471 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M155T50 M155.0654T0.84 155.0653523 155.0638038 155.0664109 0.840116862 0.806613889 0.865575038 0 91 0 91 1131 90.28349635 44.72420566 0 0 0 0.282024141 0.23414954 1 901.6700198 254.2927126 0.282024141 855.0447236 200.2083289 0.23414954 0.830246444 0.921740947 1.61E-10 421.5372401 1264.61172 843.0744803 0.204482745 0.202711405 0.854237012 0.202549963 0.852698807 0.895228214 0.97271443 0.176232132 0.973061143 0.173085475 0.895228214 1250.727282 942.1980485 634.5063843 661.9346141 560.3071373 699.4198616 1225.859801 906.1138679 817.9080932 489.1411145 648.5129121 1049.448252 1153.69144 1094.553478 634.4801752 957.2331237 793.5901175 716.6719199 639.9920302 661.9346141 589.7069422 981.9306293 796.3329405 529.3648364 761.590516 1182.156707 1713.998578 770.7332593 980.2869058 904.1091912 965.4736913 899.0974995 1093.551139 794.5043918 1130.043071 1214.83408 629.4684835 1419.311103 923.4170722 967.30224 620.4474383 1047.443575 765.2476133 751.7537621 1225.127601 1458.402298 629.9350126 934.1793417 307.7178733 587.8783935 898.7316653 1077.929434 1034.044266 835.9501835 1302.037516 749.7049497 842.9665519 1446.374238 874.0390407 820.9151082 462.0779791 1174.842513 609.4217165 1009.354718 1144.670395 794.8543111 552.2216947 786.2759229 950.2167553 1189.470902 1276.326963 782.8262509 1014.36641 1241.584539 682.9629237 1125.471699 885.0175504 746.9621267 1087.537109 1014.36641 649.5152505 1102.572184 1285.469706 1468.425682 935.3026385 664.5503257 1019.378101 1678.916735 569.3281825 903.303037 1255.298654 1169.728854 745.1335781 596.3913179 757.7677922 940.7882845 606.1638801 635.4825136 764.7841606 900.0998378 794.5043918 988.3305496 956.3309481 830.1610907 617.135172 512.1948966 618.0494464 1849.314255 825.9268 1079.757982 825.9268 881.3604531 1040.427207 617.4404233 925.1582966 742.3907551 930.1699883 812.8964014 785.3616485 824.6754447 797.8613262 755.7631155 842.9665519 No_result_found_in_bank_inhouse 155.0655556 [(M-H)-(C3H5NO)]- (13C) 1026 carnosine 226.106590328 C9H14N4O3 CQOVPNPJLQNMDC-ZETCQYMHSA-N 1852 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [10.65]; fullscan high no curation splash10-004i-0090000000-4b668ddc7fb8a6678d5f +M155T50 M155.0654T0.84 155.0653523 155.0638038 155.0664109 0.840116862 0.806613889 0.865575038 0 91 0 91 1131 90.28349635 44.72420566 0 0 0 0.282024141 0.23414954 1 901.6700198 254.2927126 0.282024141 855.0447236 200.2083289 0.23414954 0.830246444 0.921740947 1.61E-10 421.5372401 1264.61172 843.0744803 0.204482745 0.202711405 0.854237012 0.202549963 0.852698807 0.895228214 0.97271443 0.176232132 0.973061143 0.173085475 0.895228214 1250.727282 942.1980485 634.5063843 661.9346141 560.3071373 699.4198616 1225.859801 906.1138679 817.9080932 489.1411145 648.5129121 1049.448252 1153.69144 1094.553478 634.4801752 957.2331237 793.5901175 716.6719199 639.9920302 661.9346141 589.7069422 981.9306293 796.3329405 529.3648364 761.590516 1182.156707 1713.998578 770.7332593 980.2869058 904.1091912 965.4736913 899.0974995 1093.551139 794.5043918 1130.043071 1214.83408 629.4684835 1419.311103 923.4170722 967.30224 620.4474383 1047.443575 765.2476133 751.7537621 1225.127601 1458.402298 629.9350126 934.1793417 307.7178733 587.8783935 898.7316653 1077.929434 1034.044266 835.9501835 1302.037516 749.7049497 842.9665519 1446.374238 874.0390407 820.9151082 462.0779791 1174.842513 609.4217165 1009.354718 1144.670395 794.8543111 552.2216947 786.2759229 950.2167553 1189.470902 1276.326963 782.8262509 1014.36641 1241.584539 682.9629237 1125.471699 885.0175504 746.9621267 1087.537109 1014.36641 649.5152505 1102.572184 1285.469706 1468.425682 935.3026385 664.5503257 1019.378101 1678.916735 569.3281825 903.303037 1255.298654 1169.728854 745.1335781 596.3913179 757.7677922 940.7882845 606.1638801 635.4825136 764.7841606 900.0998378 794.5043918 988.3305496 956.3309481 830.1610907 617.135172 512.1948966 618.0494464 1849.314255 825.9268 1079.757982 825.9268 881.3604531 1040.427207 617.4404233 925.1582966 742.3907551 930.1699883 812.8964014 785.3616485 824.6754447 797.8613262 755.7631155 842.9665519 No_result_found_in_bank_inhouse 155.0655556 [(M-H)-(C3H5NO)]- (13C) 1026 carnosine 226.106590328 C9H14N4O3 CQOVPNPJLQNMDC-ZETCQYMHSA-N 2812 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.15]; fullscan high no curation splash10-004i-0090000000-4b668ddc7fb8a6678d5f +M155T50 M155.0654T0.84 155.0653523 155.0638038 155.0664109 0.840116862 0.806613889 0.865575038 0 91 0 91 1131 90.28349635 44.72420566 0 0 0 0.282024141 0.23414954 1 901.6700198 254.2927126 0.282024141 855.0447236 200.2083289 0.23414954 0.830246444 0.921740947 1.61E-10 421.5372401 1264.61172 843.0744803 0.204482745 0.202711405 0.854237012 0.202549963 0.852698807 0.895228214 0.97271443 0.176232132 0.973061143 0.173085475 0.895228214 1250.727282 942.1980485 634.5063843 661.9346141 560.3071373 699.4198616 1225.859801 906.1138679 817.9080932 489.1411145 648.5129121 1049.448252 1153.69144 1094.553478 634.4801752 957.2331237 793.5901175 716.6719199 639.9920302 661.9346141 589.7069422 981.9306293 796.3329405 529.3648364 761.590516 1182.156707 1713.998578 770.7332593 980.2869058 904.1091912 965.4736913 899.0974995 1093.551139 794.5043918 1130.043071 1214.83408 629.4684835 1419.311103 923.4170722 967.30224 620.4474383 1047.443575 765.2476133 751.7537621 1225.127601 1458.402298 629.9350126 934.1793417 307.7178733 587.8783935 898.7316653 1077.929434 1034.044266 835.9501835 1302.037516 749.7049497 842.9665519 1446.374238 874.0390407 820.9151082 462.0779791 1174.842513 609.4217165 1009.354718 1144.670395 794.8543111 552.2216947 786.2759229 950.2167553 1189.470902 1276.326963 782.8262509 1014.36641 1241.584539 682.9629237 1125.471699 885.0175504 746.9621267 1087.537109 1014.36641 649.5152505 1102.572184 1285.469706 1468.425682 935.3026385 664.5503257 1019.378101 1678.916735 569.3281825 903.303037 1255.298654 1169.728854 745.1335781 596.3913179 757.7677922 940.7882845 606.1638801 635.4825136 764.7841606 900.0998378 794.5043918 988.3305496 956.3309481 830.1610907 617.135172 512.1948966 618.0494464 1849.314255 825.9268 1079.757982 825.9268 881.3604531 1040.427207 617.4404233 925.1582966 742.3907551 930.1699883 812.8964014 785.3616485 824.6754447 797.8613262 755.7631155 842.9665519 No_result_found_in_bank_inhouse 155.0655556 [(M-H)-(C3H5NO)]- (13C) 1026 carnosine 226.106590328 C9H14N4O3 CQOVPNPJLQNMDC-ZETCQYMHSA-N 3334 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.82]; fullscan high no curation splash10-004i-0090000000-4b668ddc7fb8a6678d5f +M155T50 M155.0654T0.84 155.0653523 155.0638038 155.0664109 0.840116862 0.806613889 0.865575038 0 91 0 91 1131 90.28349635 44.72420566 0 0 0 0.282024141 0.23414954 1 901.6700198 254.2927126 0.282024141 855.0447236 200.2083289 0.23414954 0.830246444 0.921740947 1.61E-10 421.5372401 1264.61172 843.0744803 0.204482745 0.202711405 0.854237012 0.202549963 0.852698807 0.895228214 0.97271443 0.176232132 0.973061143 0.173085475 0.895228214 1250.727282 942.1980485 634.5063843 661.9346141 560.3071373 699.4198616 1225.859801 906.1138679 817.9080932 489.1411145 648.5129121 1049.448252 1153.69144 1094.553478 634.4801752 957.2331237 793.5901175 716.6719199 639.9920302 661.9346141 589.7069422 981.9306293 796.3329405 529.3648364 761.590516 1182.156707 1713.998578 770.7332593 980.2869058 904.1091912 965.4736913 899.0974995 1093.551139 794.5043918 1130.043071 1214.83408 629.4684835 1419.311103 923.4170722 967.30224 620.4474383 1047.443575 765.2476133 751.7537621 1225.127601 1458.402298 629.9350126 934.1793417 307.7178733 587.8783935 898.7316653 1077.929434 1034.044266 835.9501835 1302.037516 749.7049497 842.9665519 1446.374238 874.0390407 820.9151082 462.0779791 1174.842513 609.4217165 1009.354718 1144.670395 794.8543111 552.2216947 786.2759229 950.2167553 1189.470902 1276.326963 782.8262509 1014.36641 1241.584539 682.9629237 1125.471699 885.0175504 746.9621267 1087.537109 1014.36641 649.5152505 1102.572184 1285.469706 1468.425682 935.3026385 664.5503257 1019.378101 1678.916735 569.3281825 903.303037 1255.298654 1169.728854 745.1335781 596.3913179 757.7677922 940.7882845 606.1638801 635.4825136 764.7841606 900.0998378 794.5043918 988.3305496 956.3309481 830.1610907 617.135172 512.1948966 618.0494464 1849.314255 825.9268 1079.757982 825.9268 881.3604531 1040.427207 617.4404233 925.1582966 742.3907551 930.1699883 812.8964014 785.3616485 824.6754447 797.8613262 755.7631155 842.9665519 No_result_found_in_bank_inhouse 155.0655556 [(M-H)-(C3H5NO)]- (13C) 1026 carnosine 226.106590328 C9H14N4O3 CQOVPNPJLQNMDC-ZETCQYMHSA-N 3383 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.86]; fullscan high no curation splash10-004i-0090000000-4b668ddc7fb8a6678d5f +M157T54 M156.8777T0.89 156.8777365 156.876989 156.8786427 0.894265278 0.846486813 0.925736478 0 164 0 164 45 94.16963729 34.63931619 0 1 1 0.230598891 0.204586687 1 2495.465557 575.4515899 0.230598891 2235.86738 457.4286993 0.204586687 0.887197184 0.965050304 2.79E-14 613.9166049 3259.997322 2646.080717 0.972569586 0.971929274 0.812332331 0.972361413 0.810685871 0.897437208 0.497794523 0.902843964 0.501632992 0.905553463 0.897437208 2541.604518 2915.305742 2327.146435 1907.271168 3683.390011 1911.161683 2228.225926 1652.740724 2822.357937 2636.247793 1753.639369 2336.356573 2440.33126 1715.641451 3147.1961 878.7227907 3039.039077 3982.61204 2738.696407 1762.631848 2228.550476 2298.59695 1807.133352 2408.403848 2829.716423 2265.390406 2922.284721 2199.010973 2296.729413 1591.694775 2029.79005 3241.249045 2561.05692 2008.208266 2382.400954 3541.975162 1802.139488 2264.685559 2327.135123 2309.286776 959.7672945 1831.745819 2490.989152 2940.058666 2084.078818 2554.533136 2785.146307 2535.918152 2033.543196 2738.317414 2606.83101 1911.954983 2151.564983 3056.483961 2011.465588 2762.932262 2654.035347 2095.085674 2014.649021 3455.254395 1901.603123 2435.465188 2504.67078 2519.10958 2955.692377 2408.127361 2785.673735 2287.709611 3092.911291 2741.13605 2502.12716 3291.196344 2054.469448 2311.485724 2114.464324 2233.2205 2462.824393 2238.683747 1917.291647 2282.031005 2817.329756 2453.294922 2562.611434 3081.265669 2370.226649 2711.37173 3062.160157 2635.757082 827.7719638 2270.713543 2561.499205 1968.368191 2885.110029 2830.256197 1781.454064 2304.965229 2633.126108 1837.251695 1888.579 2371.660899 3167.132593 2123.765934 2425.171681 2681.309468 2289.051666 2454.828408 2532.561581 2923.654959 3870.303236 2370.110943 2340.436012 2055.080555 2642.720481 2550.45 3348.062694 2466.320406 3509.182272 2570.392088 2328.391081 2338.603624 3101.06292 1544.618752 3918.400135 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M157T57 M156.9157T0.94 156.9156994 156.9144523 156.9254716 0.943088265 0.859877856 0.966034516 0 167 0 167 48 63.7528356 32.00226003 0 1 1 0.37150483 0.28160441 1 1581.547928 587.5526945 0.37150483 1515.364993 426.7334647 0.28160441 0.758010091 0.898463453 2.53E-09 323.9978301 2760.18828 2436.19045 0.819778203 0.821245135 0.946954697 0.818415338 0.943247809 0.539848157 0.876629164 0.989714906 0.874779737 0.98888698 0.539848157 1706.651743 2067.8325 416.8489414 836.3938023 2863.389218 2236.145776 959.3409758 1145.836835 1364.565397 1375.390158 1234.786473 1953.335461 999.6443372 1086.989726 1675.10496 2033.481179 1657.20825 1407.606661 3272.852336 1201.745327 2265.065762 1171.455075 1732.591177 689.5147928 1638.868283 2292.422527 1615.763533 865.5377952 1818.879609 1186.514143 1010.843353 1625.933396 1394.264961 1514.632501 575.4549579 2302.310453 1021.25076 1585.18189 2530.572758 1872.180501 1555.385378 1532.543387 1918.559208 2016.82739 1320.940811 1021.004021 830.0136839 1264.588688 1474.224694 2737.204131 1097.048619 2286.64545 2937.949006 1458.570544 1407.762953 1154.378647 777.1291721 1101.61479 1332.168329 1675.559192 1398.875613 2147.91838 1873.113414 1676.072852 2064.312127 1643.432677 1456.602588 957.7693148 950.1625714 2874.317786 2903.591164 2072.664891 1490.338159 2379.302663 2384.788826 2702.282961 1605.316504 1142.267801 1371.780179 1582.574584 1875.724241 2041.432541 2647.426016 1254.629624 1226.133544 1842.70918 2377.700754 1640.918235 1093.195447 1130.853816 1444.903568 1172.340734 1729.611609 1401.306022 1234.821516 2611.465055 920.6178412 1532.201397 664.8039399 1658.072045 1962.497726 758.8565272 1358.628038 1181.778302 1227.780663 1752.84417 2017.771877 1464.68808 2718.425785 889.4997381 1567.323963 1035.273131 1294.982249 2026.527854 1441.371936 1418.405552 1028.713598 1475.362627 1203.540439 1180.675422 2149.975087 1199.492681 1555.56597 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M157T933 M157.0118T15.55 157.0118183 157.0111189 157.0128068 15.54838724 15.52615592 15.76841183 0 313 0 310 30 3.815387221 23.53965297 1.50E-09 1 1 0.11159214 0.095407263 1 2822.154992 314.9303141 0.11159214 2946.158704 281.084939 0.095407263 0.85496401 0.922354898 1.48E-10 2323.298782 3916.931858 1593.633076 0.819778203 0.81748175 0.863706624 0.818415338 0.863226859 0.970545484 0.682015887 0.972147899 0.684096745 0.972068942 0.970545484 2337.772282 3456.556017 2342.370171 2731.232878 2451.971765 3389.609449 2893.503147 2594.22828 2778.281014 2769.183121 2574.89837 2396.290964 2345.895057 2171.584066 2233.096946 2901.415824 2717.699523 2611.529649 2771.868354 2555.661863 2638.196836 3442.540466 3068.642788 2886.136306 2789.716881 3492.856625 2600.971232 3058.691066 3118.238222 1708.952767 3147.974787 2948.772086 2853.970125 3077.743867 3114.096016 3205.598693 3017.526354 2575.000933 3146.504072 2750.103805 2728.768898 3048.891234 2946.262926 3000.015825 2879.137441 2456.437479 2888.352249 2751.869022 2794.804724 2953.283607 3496.017602 3388.403784 2913.278736 2846.312606 2156.215776 2589.543775 2934.025557 2743.75385 2972.321037 2734.880349 3012.634731 2887.353609 2539.653995 2832.48227 2729.941776 3223.218339 2954.32926 3346.742908 2356.470784 2399.618448 3612.236773 2788.741952 2448.48877 2629.364537 2826.575613 3487.584736 2673.550211 3009.057754 3195.456623 2759.356433 2676.773706 2857.864746 3276.749759 2332.537011 3487.152909 2930.548369 3196.095027 2610.513996 2905.277174 2202.922545 2842.942742 3004.349976 2186.891795 2620.693913 2511.597008 2763.32455 3243.10642 2625.4428 2512.876407 2880.487257 2416.62841 2201.346392 3136.011329 2662.207945 2697.940056 2852.919952 2670.926688 2176.846144 2805.26393 2773.312172 2770.782234 3021.896201 3132.80079 2343.251128 2415.347532 2624.922332 2634.172927 2768.859676 1786.170849 2402.360922 2783.817077 3274.315199 2746.464993 No_result_found_in_bank_inhouse 157.011844 [(M-H)-(C3H8O3)+(HCOONa)]- 1138 Sorbitol 182.079038168 C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N 1948 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.67]; fullscan high no curation splash10-003r-1960000000-de716dc64587248e13d9 +M157T933 M157.0118T15.55 157.0118183 157.0111189 157.0128068 15.54838724 15.52615592 15.76841183 0 313 0 310 30 3.815387221 23.53965297 1.50E-09 1 1 0.11159214 0.095407263 1 2822.154992 314.9303141 0.11159214 2946.158704 281.084939 0.095407263 0.85496401 0.922354898 1.48E-10 2323.298782 3916.931858 1593.633076 0.819778203 0.81748175 0.863706624 0.818415338 0.863226859 0.970545484 0.682015887 0.972147899 0.684096745 0.972068942 0.970545484 2337.772282 3456.556017 2342.370171 2731.232878 2451.971765 3389.609449 2893.503147 2594.22828 2778.281014 2769.183121 2574.89837 2396.290964 2345.895057 2171.584066 2233.096946 2901.415824 2717.699523 2611.529649 2771.868354 2555.661863 2638.196836 3442.540466 3068.642788 2886.136306 2789.716881 3492.856625 2600.971232 3058.691066 3118.238222 1708.952767 3147.974787 2948.772086 2853.970125 3077.743867 3114.096016 3205.598693 3017.526354 2575.000933 3146.504072 2750.103805 2728.768898 3048.891234 2946.262926 3000.015825 2879.137441 2456.437479 2888.352249 2751.869022 2794.804724 2953.283607 3496.017602 3388.403784 2913.278736 2846.312606 2156.215776 2589.543775 2934.025557 2743.75385 2972.321037 2734.880349 3012.634731 2887.353609 2539.653995 2832.48227 2729.941776 3223.218339 2954.32926 3346.742908 2356.470784 2399.618448 3612.236773 2788.741952 2448.48877 2629.364537 2826.575613 3487.584736 2673.550211 3009.057754 3195.456623 2759.356433 2676.773706 2857.864746 3276.749759 2332.537011 3487.152909 2930.548369 3196.095027 2610.513996 2905.277174 2202.922545 2842.942742 3004.349976 2186.891795 2620.693913 2511.597008 2763.32455 3243.10642 2625.4428 2512.876407 2880.487257 2416.62841 2201.346392 3136.011329 2662.207945 2697.940056 2852.919952 2670.926688 2176.846144 2805.26393 2773.312172 2770.782234 3021.896201 3132.80079 2343.251128 2415.347532 2624.922332 2634.172927 2768.859676 1786.170849 2402.360922 2783.817077 3274.315199 2746.464993 No_result_found_in_bank_inhouse 157.011844 [(M-H)-(C3H8O3)+(HCOONa)]- 1138 Sorbitol 182.079038168 C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N 1980 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.9]; fullscan high no curation splash10-003r-1960000000-de716dc64587248e13d9 +M157T933 M157.0118T15.55 157.0118183 157.0111189 157.0128068 15.54838724 15.52615592 15.76841183 0 313 0 310 30 3.815387221 23.53965297 1.50E-09 1 1 0.11159214 0.095407263 1 2822.154992 314.9303141 0.11159214 2946.158704 281.084939 0.095407263 0.85496401 0.922354898 1.48E-10 2323.298782 3916.931858 1593.633076 0.819778203 0.81748175 0.863706624 0.818415338 0.863226859 0.970545484 0.682015887 0.972147899 0.684096745 0.972068942 0.970545484 2337.772282 3456.556017 2342.370171 2731.232878 2451.971765 3389.609449 2893.503147 2594.22828 2778.281014 2769.183121 2574.89837 2396.290964 2345.895057 2171.584066 2233.096946 2901.415824 2717.699523 2611.529649 2771.868354 2555.661863 2638.196836 3442.540466 3068.642788 2886.136306 2789.716881 3492.856625 2600.971232 3058.691066 3118.238222 1708.952767 3147.974787 2948.772086 2853.970125 3077.743867 3114.096016 3205.598693 3017.526354 2575.000933 3146.504072 2750.103805 2728.768898 3048.891234 2946.262926 3000.015825 2879.137441 2456.437479 2888.352249 2751.869022 2794.804724 2953.283607 3496.017602 3388.403784 2913.278736 2846.312606 2156.215776 2589.543775 2934.025557 2743.75385 2972.321037 2734.880349 3012.634731 2887.353609 2539.653995 2832.48227 2729.941776 3223.218339 2954.32926 3346.742908 2356.470784 2399.618448 3612.236773 2788.741952 2448.48877 2629.364537 2826.575613 3487.584736 2673.550211 3009.057754 3195.456623 2759.356433 2676.773706 2857.864746 3276.749759 2332.537011 3487.152909 2930.548369 3196.095027 2610.513996 2905.277174 2202.922545 2842.942742 3004.349976 2186.891795 2620.693913 2511.597008 2763.32455 3243.10642 2625.4428 2512.876407 2880.487257 2416.62841 2201.346392 3136.011329 2662.207945 2697.940056 2852.919952 2670.926688 2176.846144 2805.26393 2773.312172 2770.782234 3021.896201 3132.80079 2343.251128 2415.347532 2624.922332 2634.172927 2768.859676 1786.170849 2402.360922 2783.817077 3274.315199 2746.464993 No_result_found_in_bank_inhouse 157.011844 [(M-H)-(C3H8O3)+(HCOONa)]- 1138 Sorbitol 182.079038168 C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N 2522 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.9]; fullscan high no curation splash10-003r-1960000000-de716dc64587248e13d9 +M157T933 M157.0118T15.55 157.0118183 157.0111189 157.0128068 15.54838724 15.52615592 15.76841183 0 313 0 310 30 3.815387221 23.53965297 1.50E-09 1 1 0.11159214 0.095407263 1 2822.154992 314.9303141 0.11159214 2946.158704 281.084939 0.095407263 0.85496401 0.922354898 1.48E-10 2323.298782 3916.931858 1593.633076 0.819778203 0.81748175 0.863706624 0.818415338 0.863226859 0.970545484 0.682015887 0.972147899 0.684096745 0.972068942 0.970545484 2337.772282 3456.556017 2342.370171 2731.232878 2451.971765 3389.609449 2893.503147 2594.22828 2778.281014 2769.183121 2574.89837 2396.290964 2345.895057 2171.584066 2233.096946 2901.415824 2717.699523 2611.529649 2771.868354 2555.661863 2638.196836 3442.540466 3068.642788 2886.136306 2789.716881 3492.856625 2600.971232 3058.691066 3118.238222 1708.952767 3147.974787 2948.772086 2853.970125 3077.743867 3114.096016 3205.598693 3017.526354 2575.000933 3146.504072 2750.103805 2728.768898 3048.891234 2946.262926 3000.015825 2879.137441 2456.437479 2888.352249 2751.869022 2794.804724 2953.283607 3496.017602 3388.403784 2913.278736 2846.312606 2156.215776 2589.543775 2934.025557 2743.75385 2972.321037 2734.880349 3012.634731 2887.353609 2539.653995 2832.48227 2729.941776 3223.218339 2954.32926 3346.742908 2356.470784 2399.618448 3612.236773 2788.741952 2448.48877 2629.364537 2826.575613 3487.584736 2673.550211 3009.057754 3195.456623 2759.356433 2676.773706 2857.864746 3276.749759 2332.537011 3487.152909 2930.548369 3196.095027 2610.513996 2905.277174 2202.922545 2842.942742 3004.349976 2186.891795 2620.693913 2511.597008 2763.32455 3243.10642 2625.4428 2512.876407 2880.487257 2416.62841 2201.346392 3136.011329 2662.207945 2697.940056 2852.919952 2670.926688 2176.846144 2805.26393 2773.312172 2770.782234 3021.896201 3132.80079 2343.251128 2415.347532 2624.922332 2634.172927 2768.859676 1786.170849 2402.360922 2783.817077 3274.315199 2746.464993 No_result_found_in_bank_inhouse 157.011844 [(M-H)-(C3H8O3)+(HCOONa)]- 1138 Sorbitol 182.079038168 C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N 3289 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.62]; fullscan high no curation splash10-003r-1960000000-de716dc64587248e13d9 +M157T933 M157.0118T15.55 157.0118183 157.0111189 157.0128068 15.54838724 15.52615592 15.76841183 0 313 0 310 30 3.815387221 23.53965297 1.50E-09 1 1 0.11159214 0.095407263 1 2822.154992 314.9303141 0.11159214 2946.158704 281.084939 0.095407263 0.85496401 0.922354898 1.48E-10 2323.298782 3916.931858 1593.633076 0.819778203 0.81748175 0.863706624 0.818415338 0.863226859 0.970545484 0.682015887 0.972147899 0.684096745 0.972068942 0.970545484 2337.772282 3456.556017 2342.370171 2731.232878 2451.971765 3389.609449 2893.503147 2594.22828 2778.281014 2769.183121 2574.89837 2396.290964 2345.895057 2171.584066 2233.096946 2901.415824 2717.699523 2611.529649 2771.868354 2555.661863 2638.196836 3442.540466 3068.642788 2886.136306 2789.716881 3492.856625 2600.971232 3058.691066 3118.238222 1708.952767 3147.974787 2948.772086 2853.970125 3077.743867 3114.096016 3205.598693 3017.526354 2575.000933 3146.504072 2750.103805 2728.768898 3048.891234 2946.262926 3000.015825 2879.137441 2456.437479 2888.352249 2751.869022 2794.804724 2953.283607 3496.017602 3388.403784 2913.278736 2846.312606 2156.215776 2589.543775 2934.025557 2743.75385 2972.321037 2734.880349 3012.634731 2887.353609 2539.653995 2832.48227 2729.941776 3223.218339 2954.32926 3346.742908 2356.470784 2399.618448 3612.236773 2788.741952 2448.48877 2629.364537 2826.575613 3487.584736 2673.550211 3009.057754 3195.456623 2759.356433 2676.773706 2857.864746 3276.749759 2332.537011 3487.152909 2930.548369 3196.095027 2610.513996 2905.277174 2202.922545 2842.942742 3004.349976 2186.891795 2620.693913 2511.597008 2763.32455 3243.10642 2625.4428 2512.876407 2880.487257 2416.62841 2201.346392 3136.011329 2662.207945 2697.940056 2852.919952 2670.926688 2176.846144 2805.26393 2773.312172 2770.782234 3021.896201 3132.80079 2343.251128 2415.347532 2624.922332 2634.172927 2768.859676 1786.170849 2402.360922 2783.817077 3274.315199 2746.464993 No_result_found_in_bank_inhouse 157.014076 [(M-H)]- (18O) 291 Vitamin B13 156.017106618 C5H4N2O4 PXQPEWDEAKTCGB-UHFFFAOYSA-N 1297 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.69]; fullscan high no curation splash10-0a4i-0901000000-b5049f3b5e079b219e26 +M157T933 M157.0118T15.55 157.0118183 157.0111189 157.0128068 15.54838724 15.52615592 15.76841183 0 313 0 310 30 3.815387221 23.53965297 1.50E-09 1 1 0.11159214 0.095407263 1 2822.154992 314.9303141 0.11159214 2946.158704 281.084939 0.095407263 0.85496401 0.922354898 1.48E-10 2323.298782 3916.931858 1593.633076 0.819778203 0.81748175 0.863706624 0.818415338 0.863226859 0.970545484 0.682015887 0.972147899 0.684096745 0.972068942 0.970545484 2337.772282 3456.556017 2342.370171 2731.232878 2451.971765 3389.609449 2893.503147 2594.22828 2778.281014 2769.183121 2574.89837 2396.290964 2345.895057 2171.584066 2233.096946 2901.415824 2717.699523 2611.529649 2771.868354 2555.661863 2638.196836 3442.540466 3068.642788 2886.136306 2789.716881 3492.856625 2600.971232 3058.691066 3118.238222 1708.952767 3147.974787 2948.772086 2853.970125 3077.743867 3114.096016 3205.598693 3017.526354 2575.000933 3146.504072 2750.103805 2728.768898 3048.891234 2946.262926 3000.015825 2879.137441 2456.437479 2888.352249 2751.869022 2794.804724 2953.283607 3496.017602 3388.403784 2913.278736 2846.312606 2156.215776 2589.543775 2934.025557 2743.75385 2972.321037 2734.880349 3012.634731 2887.353609 2539.653995 2832.48227 2729.941776 3223.218339 2954.32926 3346.742908 2356.470784 2399.618448 3612.236773 2788.741952 2448.48877 2629.364537 2826.575613 3487.584736 2673.550211 3009.057754 3195.456623 2759.356433 2676.773706 2857.864746 3276.749759 2332.537011 3487.152909 2930.548369 3196.095027 2610.513996 2905.277174 2202.922545 2842.942742 3004.349976 2186.891795 2620.693913 2511.597008 2763.32455 3243.10642 2625.4428 2512.876407 2880.487257 2416.62841 2201.346392 3136.011329 2662.207945 2697.940056 2852.919952 2670.926688 2176.846144 2805.26393 2773.312172 2770.782234 3021.896201 3132.80079 2343.251128 2415.347532 2624.922332 2634.172927 2768.859676 1786.170849 2402.360922 2783.817077 3274.315199 2746.464993 No_result_found_in_bank_inhouse 157.014076 [(M-H)]- (18O) 291 Vitamin B13 156.017106618 C5H4N2O4 PXQPEWDEAKTCGB-UHFFFAOYSA-N 1334 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.58]; fullscan high no curation splash10-0a4i-0901000000-b5049f3b5e079b219e26 +M157T933 M157.0118T15.55 157.0118183 157.0111189 157.0128068 15.54838724 15.52615592 15.76841183 0 313 0 310 30 3.815387221 23.53965297 1.50E-09 1 1 0.11159214 0.095407263 1 2822.154992 314.9303141 0.11159214 2946.158704 281.084939 0.095407263 0.85496401 0.922354898 1.48E-10 2323.298782 3916.931858 1593.633076 0.819778203 0.81748175 0.863706624 0.818415338 0.863226859 0.970545484 0.682015887 0.972147899 0.684096745 0.972068942 0.970545484 2337.772282 3456.556017 2342.370171 2731.232878 2451.971765 3389.609449 2893.503147 2594.22828 2778.281014 2769.183121 2574.89837 2396.290964 2345.895057 2171.584066 2233.096946 2901.415824 2717.699523 2611.529649 2771.868354 2555.661863 2638.196836 3442.540466 3068.642788 2886.136306 2789.716881 3492.856625 2600.971232 3058.691066 3118.238222 1708.952767 3147.974787 2948.772086 2853.970125 3077.743867 3114.096016 3205.598693 3017.526354 2575.000933 3146.504072 2750.103805 2728.768898 3048.891234 2946.262926 3000.015825 2879.137441 2456.437479 2888.352249 2751.869022 2794.804724 2953.283607 3496.017602 3388.403784 2913.278736 2846.312606 2156.215776 2589.543775 2934.025557 2743.75385 2972.321037 2734.880349 3012.634731 2887.353609 2539.653995 2832.48227 2729.941776 3223.218339 2954.32926 3346.742908 2356.470784 2399.618448 3612.236773 2788.741952 2448.48877 2629.364537 2826.575613 3487.584736 2673.550211 3009.057754 3195.456623 2759.356433 2676.773706 2857.864746 3276.749759 2332.537011 3487.152909 2930.548369 3196.095027 2610.513996 2905.277174 2202.922545 2842.942742 3004.349976 2186.891795 2620.693913 2511.597008 2763.32455 3243.10642 2625.4428 2512.876407 2880.487257 2416.62841 2201.346392 3136.011329 2662.207945 2697.940056 2852.919952 2670.926688 2176.846144 2805.26393 2773.312172 2770.782234 3021.896201 3132.80079 2343.251128 2415.347532 2624.922332 2634.172927 2768.859676 1786.170849 2402.360922 2783.817077 3274.315199 2746.464993 No_result_found_in_bank_inhouse 157.014076 [(M-H)]- (18O) 291 Vitamin B13 156.017106618 C5H4N2O4 PXQPEWDEAKTCGB-UHFFFAOYSA-N 1536 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.02]; fullscan high no curation splash10-0a4i-0901000000-b5049f3b5e079b219e26 +M157T933 M157.0118T15.55 157.0118183 157.0111189 157.0128068 15.54838724 15.52615592 15.76841183 0 313 0 310 30 3.815387221 23.53965297 1.50E-09 1 1 0.11159214 0.095407263 1 2822.154992 314.9303141 0.11159214 2946.158704 281.084939 0.095407263 0.85496401 0.922354898 1.48E-10 2323.298782 3916.931858 1593.633076 0.819778203 0.81748175 0.863706624 0.818415338 0.863226859 0.970545484 0.682015887 0.972147899 0.684096745 0.972068942 0.970545484 2337.772282 3456.556017 2342.370171 2731.232878 2451.971765 3389.609449 2893.503147 2594.22828 2778.281014 2769.183121 2574.89837 2396.290964 2345.895057 2171.584066 2233.096946 2901.415824 2717.699523 2611.529649 2771.868354 2555.661863 2638.196836 3442.540466 3068.642788 2886.136306 2789.716881 3492.856625 2600.971232 3058.691066 3118.238222 1708.952767 3147.974787 2948.772086 2853.970125 3077.743867 3114.096016 3205.598693 3017.526354 2575.000933 3146.504072 2750.103805 2728.768898 3048.891234 2946.262926 3000.015825 2879.137441 2456.437479 2888.352249 2751.869022 2794.804724 2953.283607 3496.017602 3388.403784 2913.278736 2846.312606 2156.215776 2589.543775 2934.025557 2743.75385 2972.321037 2734.880349 3012.634731 2887.353609 2539.653995 2832.48227 2729.941776 3223.218339 2954.32926 3346.742908 2356.470784 2399.618448 3612.236773 2788.741952 2448.48877 2629.364537 2826.575613 3487.584736 2673.550211 3009.057754 3195.456623 2759.356433 2676.773706 2857.864746 3276.749759 2332.537011 3487.152909 2930.548369 3196.095027 2610.513996 2905.277174 2202.922545 2842.942742 3004.349976 2186.891795 2620.693913 2511.597008 2763.32455 3243.10642 2625.4428 2512.876407 2880.487257 2416.62841 2201.346392 3136.011329 2662.207945 2697.940056 2852.919952 2670.926688 2176.846144 2805.26393 2773.312172 2770.782234 3021.896201 3132.80079 2343.251128 2415.347532 2624.922332 2634.172927 2768.859676 1786.170849 2402.360922 2783.817077 3274.315199 2746.464993 No_result_found_in_bank_inhouse 157.014249 [(M-H)-2(H2O)]- 1276 D-glucopyranuronic acid 194.04265266 C6H10O7 AEMOLEFTQBMNLQ-AQKNRBDQSA-N 2491 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.61]; fullscan high no curation splash10-0006-0901100000-8286807b1cd6e09f7e56 +M157T933 M157.0118T15.55 157.0118183 157.0111189 157.0128068 15.54838724 15.52615592 15.76841183 0 313 0 310 30 3.815387221 23.53965297 1.50E-09 1 1 0.11159214 0.095407263 1 2822.154992 314.9303141 0.11159214 2946.158704 281.084939 0.095407263 0.85496401 0.922354898 1.48E-10 2323.298782 3916.931858 1593.633076 0.819778203 0.81748175 0.863706624 0.818415338 0.863226859 0.970545484 0.682015887 0.972147899 0.684096745 0.972068942 0.970545484 2337.772282 3456.556017 2342.370171 2731.232878 2451.971765 3389.609449 2893.503147 2594.22828 2778.281014 2769.183121 2574.89837 2396.290964 2345.895057 2171.584066 2233.096946 2901.415824 2717.699523 2611.529649 2771.868354 2555.661863 2638.196836 3442.540466 3068.642788 2886.136306 2789.716881 3492.856625 2600.971232 3058.691066 3118.238222 1708.952767 3147.974787 2948.772086 2853.970125 3077.743867 3114.096016 3205.598693 3017.526354 2575.000933 3146.504072 2750.103805 2728.768898 3048.891234 2946.262926 3000.015825 2879.137441 2456.437479 2888.352249 2751.869022 2794.804724 2953.283607 3496.017602 3388.403784 2913.278736 2846.312606 2156.215776 2589.543775 2934.025557 2743.75385 2972.321037 2734.880349 3012.634731 2887.353609 2539.653995 2832.48227 2729.941776 3223.218339 2954.32926 3346.742908 2356.470784 2399.618448 3612.236773 2788.741952 2448.48877 2629.364537 2826.575613 3487.584736 2673.550211 3009.057754 3195.456623 2759.356433 2676.773706 2857.864746 3276.749759 2332.537011 3487.152909 2930.548369 3196.095027 2610.513996 2905.277174 2202.922545 2842.942742 3004.349976 2186.891795 2620.693913 2511.597008 2763.32455 3243.10642 2625.4428 2512.876407 2880.487257 2416.62841 2201.346392 3136.011329 2662.207945 2697.940056 2852.919952 2670.926688 2176.846144 2805.26393 2773.312172 2770.782234 3021.896201 3132.80079 2343.251128 2415.347532 2624.922332 2634.172927 2768.859676 1786.170849 2402.360922 2783.817077 3274.315199 2746.464993 No_result_found_in_bank_inhouse 157.014249 [(M-H)-2(H2O)]- 1276 D-glucopyranuronic acid 194.04265266 C6H10O7 AEMOLEFTQBMNLQ-AQKNRBDQSA-N 2824 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.85]; fullscan high no curation splash10-0006-0901100000-8286807b1cd6e09f7e56 +M157T933 M157.0118T15.55 157.0118183 157.0111189 157.0128068 15.54838724 15.52615592 15.76841183 0 313 0 310 30 3.815387221 23.53965297 1.50E-09 1 1 0.11159214 0.095407263 1 2822.154992 314.9303141 0.11159214 2946.158704 281.084939 0.095407263 0.85496401 0.922354898 1.48E-10 2323.298782 3916.931858 1593.633076 0.819778203 0.81748175 0.863706624 0.818415338 0.863226859 0.970545484 0.682015887 0.972147899 0.684096745 0.972068942 0.970545484 2337.772282 3456.556017 2342.370171 2731.232878 2451.971765 3389.609449 2893.503147 2594.22828 2778.281014 2769.183121 2574.89837 2396.290964 2345.895057 2171.584066 2233.096946 2901.415824 2717.699523 2611.529649 2771.868354 2555.661863 2638.196836 3442.540466 3068.642788 2886.136306 2789.716881 3492.856625 2600.971232 3058.691066 3118.238222 1708.952767 3147.974787 2948.772086 2853.970125 3077.743867 3114.096016 3205.598693 3017.526354 2575.000933 3146.504072 2750.103805 2728.768898 3048.891234 2946.262926 3000.015825 2879.137441 2456.437479 2888.352249 2751.869022 2794.804724 2953.283607 3496.017602 3388.403784 2913.278736 2846.312606 2156.215776 2589.543775 2934.025557 2743.75385 2972.321037 2734.880349 3012.634731 2887.353609 2539.653995 2832.48227 2729.941776 3223.218339 2954.32926 3346.742908 2356.470784 2399.618448 3612.236773 2788.741952 2448.48877 2629.364537 2826.575613 3487.584736 2673.550211 3009.057754 3195.456623 2759.356433 2676.773706 2857.864746 3276.749759 2332.537011 3487.152909 2930.548369 3196.095027 2610.513996 2905.277174 2202.922545 2842.942742 3004.349976 2186.891795 2620.693913 2511.597008 2763.32455 3243.10642 2625.4428 2512.876407 2880.487257 2416.62841 2201.346392 3136.011329 2662.207945 2697.940056 2852.919952 2670.926688 2176.846144 2805.26393 2773.312172 2770.782234 3021.896201 3132.80079 2343.251128 2415.347532 2624.922332 2634.172927 2768.859676 1786.170849 2402.360922 2783.817077 3274.315199 2746.464993 No_result_found_in_bank_inhouse 157.014249 [(M-H)-2(H2O)]- 1276 D-glucopyranuronic acid 194.04265266 C6H10O7 AEMOLEFTQBMNLQ-AQKNRBDQSA-N 3005 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.55]; fullscan high no curation splash10-0006-0901100000-8286807b1cd6e09f7e56 +M157T933 M157.0118T15.55 157.0118183 157.0111189 157.0128068 15.54838724 15.52615592 15.76841183 0 313 0 310 30 3.815387221 23.53965297 1.50E-09 1 1 0.11159214 0.095407263 1 2822.154992 314.9303141 0.11159214 2946.158704 281.084939 0.095407263 0.85496401 0.922354898 1.48E-10 2323.298782 3916.931858 1593.633076 0.819778203 0.81748175 0.863706624 0.818415338 0.863226859 0.970545484 0.682015887 0.972147899 0.684096745 0.972068942 0.970545484 2337.772282 3456.556017 2342.370171 2731.232878 2451.971765 3389.609449 2893.503147 2594.22828 2778.281014 2769.183121 2574.89837 2396.290964 2345.895057 2171.584066 2233.096946 2901.415824 2717.699523 2611.529649 2771.868354 2555.661863 2638.196836 3442.540466 3068.642788 2886.136306 2789.716881 3492.856625 2600.971232 3058.691066 3118.238222 1708.952767 3147.974787 2948.772086 2853.970125 3077.743867 3114.096016 3205.598693 3017.526354 2575.000933 3146.504072 2750.103805 2728.768898 3048.891234 2946.262926 3000.015825 2879.137441 2456.437479 2888.352249 2751.869022 2794.804724 2953.283607 3496.017602 3388.403784 2913.278736 2846.312606 2156.215776 2589.543775 2934.025557 2743.75385 2972.321037 2734.880349 3012.634731 2887.353609 2539.653995 2832.48227 2729.941776 3223.218339 2954.32926 3346.742908 2356.470784 2399.618448 3612.236773 2788.741952 2448.48877 2629.364537 2826.575613 3487.584736 2673.550211 3009.057754 3195.456623 2759.356433 2676.773706 2857.864746 3276.749759 2332.537011 3487.152909 2930.548369 3196.095027 2610.513996 2905.277174 2202.922545 2842.942742 3004.349976 2186.891795 2620.693913 2511.597008 2763.32455 3243.10642 2625.4428 2512.876407 2880.487257 2416.62841 2201.346392 3136.011329 2662.207945 2697.940056 2852.919952 2670.926688 2176.846144 2805.26393 2773.312172 2770.782234 3021.896201 3132.80079 2343.251128 2415.347532 2624.922332 2634.172927 2768.859676 1786.170849 2402.360922 2783.817077 3274.315199 2746.464993 No_result_found_in_bank_inhouse 157.014249 [(M-H)-2(H2O)]- 1276 D-glucopyranuronic acid 194.04265266 C6H10O7 AEMOLEFTQBMNLQ-AQKNRBDQSA-N 3616 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.85]; fullscan high no curation splash10-0006-0901100000-8286807b1cd6e09f7e56 +M157T895 M157.0119T14.91 157.0118549 157.0112607 157.0125752 14.9093234 14.89044978 14.92524159 0 186 0 186 959 3.483492923 15.16373918 3.99E-07 1 1 0.234976922 0.144283256 1 1899.494218 446.3373053 0.234976922 1833.73177 264.5767907 0.144283256 0.614031603 0.927051677 7.63E-11 1401.912389 2808.669128 1406.756739 0.950399219 0.950999255 0.825939361 0.949728952 0.818499383 0.915966112 0.549782369 0.972147899 0.554466205 0.972068942 0.915966112 1562.545899 1712.045376 2002.180284 2157.354405 2042.340401 1334.488409 1457.630089 1556.685897 1702.416119 1249.557197 1348.807603 2021.647722 1111.433016 1494.296338 1111.056732 2076.556847 1654.386924 1621.392983 1540.331486 2444.388794 1609.155593 2272.612586 2247.208751 1555.692109 2096.718085 1848.224468 1908.382481 2253.944479 2166.394244 1117.554167 1979.585098 2077.920726 1222.239596 750.5846822 2209.744122 1946.121987 2163.589187 1696.875851 2854.704758 1539.955273 1565.782038 2125.238013 1719.213765 1792.959449 2054.77516 1776.552628 1718.797829 1684.101393 2196.956604 1595.333352 1656.754612 2039.39895 1726.460942 1985.43989 1362.780073 2463.676059 1719.345449 2307.43183 2369.954819 2791.24526 2055.776162 2298.337787 2007.472307 2149.654563 2267.108893 2157.609238 2210.676336 1546.04047 1977.138106 1166.094977 1018.866124 1829.16935 1744.847138 1525.06943 1468.811125 1342.951381 1999.212948 2220.003786 1509.377435 1827.049409 1967.176173 2208.462752 2188.653561 1750.814967 1573.859032 1871.68465 2179.82911 1619.634032 1563.951251 1643.829851 1166.925782 2071.362508 1236.426106 1843.400716 2188.293755 1182.384356 2130.98459 1980.502853 1272.99428 1445.374729 1804.037588 1926.951688 1783.9213 2348.407748 1570.55514 2574.801416 1366.875077 1961.928495 1760.696344 1084.696571 2204.653934 1439.242183 1996.893389 2334.663987 1607.432196 1332.664504 1205.395491 1845.428967 1467.761536 2209.094545 2060.851827 3017.527006 2436.64054 No_result_found_in_bank_inhouse 157.011844 [(M-H)-(C3H8O3)+(HCOONa)]- 1138 Sorbitol 182.079038168 C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N 1948 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.67]; fullscan high no curation splash10-003r-1960000000-de716dc64587248e13d9 +M157T895 M157.0119T14.91 157.0118549 157.0112607 157.0125752 14.9093234 14.89044978 14.92524159 0 186 0 186 959 3.483492923 15.16373918 3.99E-07 1 1 0.234976922 0.144283256 1 1899.494218 446.3373053 0.234976922 1833.73177 264.5767907 0.144283256 0.614031603 0.927051677 7.63E-11 1401.912389 2808.669128 1406.756739 0.950399219 0.950999255 0.825939361 0.949728952 0.818499383 0.915966112 0.549782369 0.972147899 0.554466205 0.972068942 0.915966112 1562.545899 1712.045376 2002.180284 2157.354405 2042.340401 1334.488409 1457.630089 1556.685897 1702.416119 1249.557197 1348.807603 2021.647722 1111.433016 1494.296338 1111.056732 2076.556847 1654.386924 1621.392983 1540.331486 2444.388794 1609.155593 2272.612586 2247.208751 1555.692109 2096.718085 1848.224468 1908.382481 2253.944479 2166.394244 1117.554167 1979.585098 2077.920726 1222.239596 750.5846822 2209.744122 1946.121987 2163.589187 1696.875851 2854.704758 1539.955273 1565.782038 2125.238013 1719.213765 1792.959449 2054.77516 1776.552628 1718.797829 1684.101393 2196.956604 1595.333352 1656.754612 2039.39895 1726.460942 1985.43989 1362.780073 2463.676059 1719.345449 2307.43183 2369.954819 2791.24526 2055.776162 2298.337787 2007.472307 2149.654563 2267.108893 2157.609238 2210.676336 1546.04047 1977.138106 1166.094977 1018.866124 1829.16935 1744.847138 1525.06943 1468.811125 1342.951381 1999.212948 2220.003786 1509.377435 1827.049409 1967.176173 2208.462752 2188.653561 1750.814967 1573.859032 1871.68465 2179.82911 1619.634032 1563.951251 1643.829851 1166.925782 2071.362508 1236.426106 1843.400716 2188.293755 1182.384356 2130.98459 1980.502853 1272.99428 1445.374729 1804.037588 1926.951688 1783.9213 2348.407748 1570.55514 2574.801416 1366.875077 1961.928495 1760.696344 1084.696571 2204.653934 1439.242183 1996.893389 2334.663987 1607.432196 1332.664504 1205.395491 1845.428967 1467.761536 2209.094545 2060.851827 3017.527006 2436.64054 No_result_found_in_bank_inhouse 157.011844 [(M-H)-(C3H8O3)+(HCOONa)]- 1138 Sorbitol 182.079038168 C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N 1980 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.9]; fullscan high no curation splash10-003r-1960000000-de716dc64587248e13d9 +M157T895 M157.0119T14.91 157.0118549 157.0112607 157.0125752 14.9093234 14.89044978 14.92524159 0 186 0 186 959 3.483492923 15.16373918 3.99E-07 1 1 0.234976922 0.144283256 1 1899.494218 446.3373053 0.234976922 1833.73177 264.5767907 0.144283256 0.614031603 0.927051677 7.63E-11 1401.912389 2808.669128 1406.756739 0.950399219 0.950999255 0.825939361 0.949728952 0.818499383 0.915966112 0.549782369 0.972147899 0.554466205 0.972068942 0.915966112 1562.545899 1712.045376 2002.180284 2157.354405 2042.340401 1334.488409 1457.630089 1556.685897 1702.416119 1249.557197 1348.807603 2021.647722 1111.433016 1494.296338 1111.056732 2076.556847 1654.386924 1621.392983 1540.331486 2444.388794 1609.155593 2272.612586 2247.208751 1555.692109 2096.718085 1848.224468 1908.382481 2253.944479 2166.394244 1117.554167 1979.585098 2077.920726 1222.239596 750.5846822 2209.744122 1946.121987 2163.589187 1696.875851 2854.704758 1539.955273 1565.782038 2125.238013 1719.213765 1792.959449 2054.77516 1776.552628 1718.797829 1684.101393 2196.956604 1595.333352 1656.754612 2039.39895 1726.460942 1985.43989 1362.780073 2463.676059 1719.345449 2307.43183 2369.954819 2791.24526 2055.776162 2298.337787 2007.472307 2149.654563 2267.108893 2157.609238 2210.676336 1546.04047 1977.138106 1166.094977 1018.866124 1829.16935 1744.847138 1525.06943 1468.811125 1342.951381 1999.212948 2220.003786 1509.377435 1827.049409 1967.176173 2208.462752 2188.653561 1750.814967 1573.859032 1871.68465 2179.82911 1619.634032 1563.951251 1643.829851 1166.925782 2071.362508 1236.426106 1843.400716 2188.293755 1182.384356 2130.98459 1980.502853 1272.99428 1445.374729 1804.037588 1926.951688 1783.9213 2348.407748 1570.55514 2574.801416 1366.875077 1961.928495 1760.696344 1084.696571 2204.653934 1439.242183 1996.893389 2334.663987 1607.432196 1332.664504 1205.395491 1845.428967 1467.761536 2209.094545 2060.851827 3017.527006 2436.64054 No_result_found_in_bank_inhouse 157.011844 [(M-H)-(C3H8O3)+(HCOONa)]- 1138 Sorbitol 182.079038168 C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N 2522 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.9]; fullscan high no curation splash10-003r-1960000000-de716dc64587248e13d9 +M157T895 M157.0119T14.91 157.0118549 157.0112607 157.0125752 14.9093234 14.89044978 14.92524159 0 186 0 186 959 3.483492923 15.16373918 3.99E-07 1 1 0.234976922 0.144283256 1 1899.494218 446.3373053 0.234976922 1833.73177 264.5767907 0.144283256 0.614031603 0.927051677 7.63E-11 1401.912389 2808.669128 1406.756739 0.950399219 0.950999255 0.825939361 0.949728952 0.818499383 0.915966112 0.549782369 0.972147899 0.554466205 0.972068942 0.915966112 1562.545899 1712.045376 2002.180284 2157.354405 2042.340401 1334.488409 1457.630089 1556.685897 1702.416119 1249.557197 1348.807603 2021.647722 1111.433016 1494.296338 1111.056732 2076.556847 1654.386924 1621.392983 1540.331486 2444.388794 1609.155593 2272.612586 2247.208751 1555.692109 2096.718085 1848.224468 1908.382481 2253.944479 2166.394244 1117.554167 1979.585098 2077.920726 1222.239596 750.5846822 2209.744122 1946.121987 2163.589187 1696.875851 2854.704758 1539.955273 1565.782038 2125.238013 1719.213765 1792.959449 2054.77516 1776.552628 1718.797829 1684.101393 2196.956604 1595.333352 1656.754612 2039.39895 1726.460942 1985.43989 1362.780073 2463.676059 1719.345449 2307.43183 2369.954819 2791.24526 2055.776162 2298.337787 2007.472307 2149.654563 2267.108893 2157.609238 2210.676336 1546.04047 1977.138106 1166.094977 1018.866124 1829.16935 1744.847138 1525.06943 1468.811125 1342.951381 1999.212948 2220.003786 1509.377435 1827.049409 1967.176173 2208.462752 2188.653561 1750.814967 1573.859032 1871.68465 2179.82911 1619.634032 1563.951251 1643.829851 1166.925782 2071.362508 1236.426106 1843.400716 2188.293755 1182.384356 2130.98459 1980.502853 1272.99428 1445.374729 1804.037588 1926.951688 1783.9213 2348.407748 1570.55514 2574.801416 1366.875077 1961.928495 1760.696344 1084.696571 2204.653934 1439.242183 1996.893389 2334.663987 1607.432196 1332.664504 1205.395491 1845.428967 1467.761536 2209.094545 2060.851827 3017.527006 2436.64054 No_result_found_in_bank_inhouse 157.011844 [(M-H)-(C3H8O3)+(HCOONa)]- 1138 Sorbitol 182.079038168 C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N 3289 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.62]; fullscan high no curation splash10-003r-1960000000-de716dc64587248e13d9 +M157T895 M157.0119T14.91 157.0118549 157.0112607 157.0125752 14.9093234 14.89044978 14.92524159 0 186 0 186 959 3.483492923 15.16373918 3.99E-07 1 1 0.234976922 0.144283256 1 1899.494218 446.3373053 0.234976922 1833.73177 264.5767907 0.144283256 0.614031603 0.927051677 7.63E-11 1401.912389 2808.669128 1406.756739 0.950399219 0.950999255 0.825939361 0.949728952 0.818499383 0.915966112 0.549782369 0.972147899 0.554466205 0.972068942 0.915966112 1562.545899 1712.045376 2002.180284 2157.354405 2042.340401 1334.488409 1457.630089 1556.685897 1702.416119 1249.557197 1348.807603 2021.647722 1111.433016 1494.296338 1111.056732 2076.556847 1654.386924 1621.392983 1540.331486 2444.388794 1609.155593 2272.612586 2247.208751 1555.692109 2096.718085 1848.224468 1908.382481 2253.944479 2166.394244 1117.554167 1979.585098 2077.920726 1222.239596 750.5846822 2209.744122 1946.121987 2163.589187 1696.875851 2854.704758 1539.955273 1565.782038 2125.238013 1719.213765 1792.959449 2054.77516 1776.552628 1718.797829 1684.101393 2196.956604 1595.333352 1656.754612 2039.39895 1726.460942 1985.43989 1362.780073 2463.676059 1719.345449 2307.43183 2369.954819 2791.24526 2055.776162 2298.337787 2007.472307 2149.654563 2267.108893 2157.609238 2210.676336 1546.04047 1977.138106 1166.094977 1018.866124 1829.16935 1744.847138 1525.06943 1468.811125 1342.951381 1999.212948 2220.003786 1509.377435 1827.049409 1967.176173 2208.462752 2188.653561 1750.814967 1573.859032 1871.68465 2179.82911 1619.634032 1563.951251 1643.829851 1166.925782 2071.362508 1236.426106 1843.400716 2188.293755 1182.384356 2130.98459 1980.502853 1272.99428 1445.374729 1804.037588 1926.951688 1783.9213 2348.407748 1570.55514 2574.801416 1366.875077 1961.928495 1760.696344 1084.696571 2204.653934 1439.242183 1996.893389 2334.663987 1607.432196 1332.664504 1205.395491 1845.428967 1467.761536 2209.094545 2060.851827 3017.527006 2436.64054 No_result_found_in_bank_inhouse 157.014076 [(M-H)]- (18O) 291 Vitamin B13 156.017106618 C5H4N2O4 PXQPEWDEAKTCGB-UHFFFAOYSA-N 1297 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.69]; fullscan high no curation splash10-0a4i-0901000000-b5049f3b5e079b219e26 +M157T895 M157.0119T14.91 157.0118549 157.0112607 157.0125752 14.9093234 14.89044978 14.92524159 0 186 0 186 959 3.483492923 15.16373918 3.99E-07 1 1 0.234976922 0.144283256 1 1899.494218 446.3373053 0.234976922 1833.73177 264.5767907 0.144283256 0.614031603 0.927051677 7.63E-11 1401.912389 2808.669128 1406.756739 0.950399219 0.950999255 0.825939361 0.949728952 0.818499383 0.915966112 0.549782369 0.972147899 0.554466205 0.972068942 0.915966112 1562.545899 1712.045376 2002.180284 2157.354405 2042.340401 1334.488409 1457.630089 1556.685897 1702.416119 1249.557197 1348.807603 2021.647722 1111.433016 1494.296338 1111.056732 2076.556847 1654.386924 1621.392983 1540.331486 2444.388794 1609.155593 2272.612586 2247.208751 1555.692109 2096.718085 1848.224468 1908.382481 2253.944479 2166.394244 1117.554167 1979.585098 2077.920726 1222.239596 750.5846822 2209.744122 1946.121987 2163.589187 1696.875851 2854.704758 1539.955273 1565.782038 2125.238013 1719.213765 1792.959449 2054.77516 1776.552628 1718.797829 1684.101393 2196.956604 1595.333352 1656.754612 2039.39895 1726.460942 1985.43989 1362.780073 2463.676059 1719.345449 2307.43183 2369.954819 2791.24526 2055.776162 2298.337787 2007.472307 2149.654563 2267.108893 2157.609238 2210.676336 1546.04047 1977.138106 1166.094977 1018.866124 1829.16935 1744.847138 1525.06943 1468.811125 1342.951381 1999.212948 2220.003786 1509.377435 1827.049409 1967.176173 2208.462752 2188.653561 1750.814967 1573.859032 1871.68465 2179.82911 1619.634032 1563.951251 1643.829851 1166.925782 2071.362508 1236.426106 1843.400716 2188.293755 1182.384356 2130.98459 1980.502853 1272.99428 1445.374729 1804.037588 1926.951688 1783.9213 2348.407748 1570.55514 2574.801416 1366.875077 1961.928495 1760.696344 1084.696571 2204.653934 1439.242183 1996.893389 2334.663987 1607.432196 1332.664504 1205.395491 1845.428967 1467.761536 2209.094545 2060.851827 3017.527006 2436.64054 No_result_found_in_bank_inhouse 157.014076 [(M-H)]- (18O) 291 Vitamin B13 156.017106618 C5H4N2O4 PXQPEWDEAKTCGB-UHFFFAOYSA-N 1334 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.58]; fullscan high no curation splash10-0a4i-0901000000-b5049f3b5e079b219e26 +M157T895 M157.0119T14.91 157.0118549 157.0112607 157.0125752 14.9093234 14.89044978 14.92524159 0 186 0 186 959 3.483492923 15.16373918 3.99E-07 1 1 0.234976922 0.144283256 1 1899.494218 446.3373053 0.234976922 1833.73177 264.5767907 0.144283256 0.614031603 0.927051677 7.63E-11 1401.912389 2808.669128 1406.756739 0.950399219 0.950999255 0.825939361 0.949728952 0.818499383 0.915966112 0.549782369 0.972147899 0.554466205 0.972068942 0.915966112 1562.545899 1712.045376 2002.180284 2157.354405 2042.340401 1334.488409 1457.630089 1556.685897 1702.416119 1249.557197 1348.807603 2021.647722 1111.433016 1494.296338 1111.056732 2076.556847 1654.386924 1621.392983 1540.331486 2444.388794 1609.155593 2272.612586 2247.208751 1555.692109 2096.718085 1848.224468 1908.382481 2253.944479 2166.394244 1117.554167 1979.585098 2077.920726 1222.239596 750.5846822 2209.744122 1946.121987 2163.589187 1696.875851 2854.704758 1539.955273 1565.782038 2125.238013 1719.213765 1792.959449 2054.77516 1776.552628 1718.797829 1684.101393 2196.956604 1595.333352 1656.754612 2039.39895 1726.460942 1985.43989 1362.780073 2463.676059 1719.345449 2307.43183 2369.954819 2791.24526 2055.776162 2298.337787 2007.472307 2149.654563 2267.108893 2157.609238 2210.676336 1546.04047 1977.138106 1166.094977 1018.866124 1829.16935 1744.847138 1525.06943 1468.811125 1342.951381 1999.212948 2220.003786 1509.377435 1827.049409 1967.176173 2208.462752 2188.653561 1750.814967 1573.859032 1871.68465 2179.82911 1619.634032 1563.951251 1643.829851 1166.925782 2071.362508 1236.426106 1843.400716 2188.293755 1182.384356 2130.98459 1980.502853 1272.99428 1445.374729 1804.037588 1926.951688 1783.9213 2348.407748 1570.55514 2574.801416 1366.875077 1961.928495 1760.696344 1084.696571 2204.653934 1439.242183 1996.893389 2334.663987 1607.432196 1332.664504 1205.395491 1845.428967 1467.761536 2209.094545 2060.851827 3017.527006 2436.64054 No_result_found_in_bank_inhouse 157.014076 [(M-H)]- (18O) 291 Vitamin B13 156.017106618 C5H4N2O4 PXQPEWDEAKTCGB-UHFFFAOYSA-N 1536 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.02]; fullscan high no curation splash10-0a4i-0901000000-b5049f3b5e079b219e26 +M157T895 M157.0119T14.91 157.0118549 157.0112607 157.0125752 14.9093234 14.89044978 14.92524159 0 186 0 186 959 3.483492923 15.16373918 3.99E-07 1 1 0.234976922 0.144283256 1 1899.494218 446.3373053 0.234976922 1833.73177 264.5767907 0.144283256 0.614031603 0.927051677 7.63E-11 1401.912389 2808.669128 1406.756739 0.950399219 0.950999255 0.825939361 0.949728952 0.818499383 0.915966112 0.549782369 0.972147899 0.554466205 0.972068942 0.915966112 1562.545899 1712.045376 2002.180284 2157.354405 2042.340401 1334.488409 1457.630089 1556.685897 1702.416119 1249.557197 1348.807603 2021.647722 1111.433016 1494.296338 1111.056732 2076.556847 1654.386924 1621.392983 1540.331486 2444.388794 1609.155593 2272.612586 2247.208751 1555.692109 2096.718085 1848.224468 1908.382481 2253.944479 2166.394244 1117.554167 1979.585098 2077.920726 1222.239596 750.5846822 2209.744122 1946.121987 2163.589187 1696.875851 2854.704758 1539.955273 1565.782038 2125.238013 1719.213765 1792.959449 2054.77516 1776.552628 1718.797829 1684.101393 2196.956604 1595.333352 1656.754612 2039.39895 1726.460942 1985.43989 1362.780073 2463.676059 1719.345449 2307.43183 2369.954819 2791.24526 2055.776162 2298.337787 2007.472307 2149.654563 2267.108893 2157.609238 2210.676336 1546.04047 1977.138106 1166.094977 1018.866124 1829.16935 1744.847138 1525.06943 1468.811125 1342.951381 1999.212948 2220.003786 1509.377435 1827.049409 1967.176173 2208.462752 2188.653561 1750.814967 1573.859032 1871.68465 2179.82911 1619.634032 1563.951251 1643.829851 1166.925782 2071.362508 1236.426106 1843.400716 2188.293755 1182.384356 2130.98459 1980.502853 1272.99428 1445.374729 1804.037588 1926.951688 1783.9213 2348.407748 1570.55514 2574.801416 1366.875077 1961.928495 1760.696344 1084.696571 2204.653934 1439.242183 1996.893389 2334.663987 1607.432196 1332.664504 1205.395491 1845.428967 1467.761536 2209.094545 2060.851827 3017.527006 2436.64054 No_result_found_in_bank_inhouse 157.014249 [(M-H)-2(H2O)]- 1276 D-glucopyranuronic acid 194.04265266 C6H10O7 AEMOLEFTQBMNLQ-AQKNRBDQSA-N 2491 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.61]; fullscan high no curation splash10-0006-0901100000-8286807b1cd6e09f7e56 +M157T895 M157.0119T14.91 157.0118549 157.0112607 157.0125752 14.9093234 14.89044978 14.92524159 0 186 0 186 959 3.483492923 15.16373918 3.99E-07 1 1 0.234976922 0.144283256 1 1899.494218 446.3373053 0.234976922 1833.73177 264.5767907 0.144283256 0.614031603 0.927051677 7.63E-11 1401.912389 2808.669128 1406.756739 0.950399219 0.950999255 0.825939361 0.949728952 0.818499383 0.915966112 0.549782369 0.972147899 0.554466205 0.972068942 0.915966112 1562.545899 1712.045376 2002.180284 2157.354405 2042.340401 1334.488409 1457.630089 1556.685897 1702.416119 1249.557197 1348.807603 2021.647722 1111.433016 1494.296338 1111.056732 2076.556847 1654.386924 1621.392983 1540.331486 2444.388794 1609.155593 2272.612586 2247.208751 1555.692109 2096.718085 1848.224468 1908.382481 2253.944479 2166.394244 1117.554167 1979.585098 2077.920726 1222.239596 750.5846822 2209.744122 1946.121987 2163.589187 1696.875851 2854.704758 1539.955273 1565.782038 2125.238013 1719.213765 1792.959449 2054.77516 1776.552628 1718.797829 1684.101393 2196.956604 1595.333352 1656.754612 2039.39895 1726.460942 1985.43989 1362.780073 2463.676059 1719.345449 2307.43183 2369.954819 2791.24526 2055.776162 2298.337787 2007.472307 2149.654563 2267.108893 2157.609238 2210.676336 1546.04047 1977.138106 1166.094977 1018.866124 1829.16935 1744.847138 1525.06943 1468.811125 1342.951381 1999.212948 2220.003786 1509.377435 1827.049409 1967.176173 2208.462752 2188.653561 1750.814967 1573.859032 1871.68465 2179.82911 1619.634032 1563.951251 1643.829851 1166.925782 2071.362508 1236.426106 1843.400716 2188.293755 1182.384356 2130.98459 1980.502853 1272.99428 1445.374729 1804.037588 1926.951688 1783.9213 2348.407748 1570.55514 2574.801416 1366.875077 1961.928495 1760.696344 1084.696571 2204.653934 1439.242183 1996.893389 2334.663987 1607.432196 1332.664504 1205.395491 1845.428967 1467.761536 2209.094545 2060.851827 3017.527006 2436.64054 No_result_found_in_bank_inhouse 157.014249 [(M-H)-2(H2O)]- 1276 D-glucopyranuronic acid 194.04265266 C6H10O7 AEMOLEFTQBMNLQ-AQKNRBDQSA-N 2824 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.85]; fullscan high no curation splash10-0006-0901100000-8286807b1cd6e09f7e56 +M157T895 M157.0119T14.91 157.0118549 157.0112607 157.0125752 14.9093234 14.89044978 14.92524159 0 186 0 186 959 3.483492923 15.16373918 3.99E-07 1 1 0.234976922 0.144283256 1 1899.494218 446.3373053 0.234976922 1833.73177 264.5767907 0.144283256 0.614031603 0.927051677 7.63E-11 1401.912389 2808.669128 1406.756739 0.950399219 0.950999255 0.825939361 0.949728952 0.818499383 0.915966112 0.549782369 0.972147899 0.554466205 0.972068942 0.915966112 1562.545899 1712.045376 2002.180284 2157.354405 2042.340401 1334.488409 1457.630089 1556.685897 1702.416119 1249.557197 1348.807603 2021.647722 1111.433016 1494.296338 1111.056732 2076.556847 1654.386924 1621.392983 1540.331486 2444.388794 1609.155593 2272.612586 2247.208751 1555.692109 2096.718085 1848.224468 1908.382481 2253.944479 2166.394244 1117.554167 1979.585098 2077.920726 1222.239596 750.5846822 2209.744122 1946.121987 2163.589187 1696.875851 2854.704758 1539.955273 1565.782038 2125.238013 1719.213765 1792.959449 2054.77516 1776.552628 1718.797829 1684.101393 2196.956604 1595.333352 1656.754612 2039.39895 1726.460942 1985.43989 1362.780073 2463.676059 1719.345449 2307.43183 2369.954819 2791.24526 2055.776162 2298.337787 2007.472307 2149.654563 2267.108893 2157.609238 2210.676336 1546.04047 1977.138106 1166.094977 1018.866124 1829.16935 1744.847138 1525.06943 1468.811125 1342.951381 1999.212948 2220.003786 1509.377435 1827.049409 1967.176173 2208.462752 2188.653561 1750.814967 1573.859032 1871.68465 2179.82911 1619.634032 1563.951251 1643.829851 1166.925782 2071.362508 1236.426106 1843.400716 2188.293755 1182.384356 2130.98459 1980.502853 1272.99428 1445.374729 1804.037588 1926.951688 1783.9213 2348.407748 1570.55514 2574.801416 1366.875077 1961.928495 1760.696344 1084.696571 2204.653934 1439.242183 1996.893389 2334.663987 1607.432196 1332.664504 1205.395491 1845.428967 1467.761536 2209.094545 2060.851827 3017.527006 2436.64054 No_result_found_in_bank_inhouse 157.014249 [(M-H)-2(H2O)]- 1276 D-glucopyranuronic acid 194.04265266 C6H10O7 AEMOLEFTQBMNLQ-AQKNRBDQSA-N 3005 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.55]; fullscan high no curation splash10-0006-0901100000-8286807b1cd6e09f7e56 +M157T895 M157.0119T14.91 157.0118549 157.0112607 157.0125752 14.9093234 14.89044978 14.92524159 0 186 0 186 959 3.483492923 15.16373918 3.99E-07 1 1 0.234976922 0.144283256 1 1899.494218 446.3373053 0.234976922 1833.73177 264.5767907 0.144283256 0.614031603 0.927051677 7.63E-11 1401.912389 2808.669128 1406.756739 0.950399219 0.950999255 0.825939361 0.949728952 0.818499383 0.915966112 0.549782369 0.972147899 0.554466205 0.972068942 0.915966112 1562.545899 1712.045376 2002.180284 2157.354405 2042.340401 1334.488409 1457.630089 1556.685897 1702.416119 1249.557197 1348.807603 2021.647722 1111.433016 1494.296338 1111.056732 2076.556847 1654.386924 1621.392983 1540.331486 2444.388794 1609.155593 2272.612586 2247.208751 1555.692109 2096.718085 1848.224468 1908.382481 2253.944479 2166.394244 1117.554167 1979.585098 2077.920726 1222.239596 750.5846822 2209.744122 1946.121987 2163.589187 1696.875851 2854.704758 1539.955273 1565.782038 2125.238013 1719.213765 1792.959449 2054.77516 1776.552628 1718.797829 1684.101393 2196.956604 1595.333352 1656.754612 2039.39895 1726.460942 1985.43989 1362.780073 2463.676059 1719.345449 2307.43183 2369.954819 2791.24526 2055.776162 2298.337787 2007.472307 2149.654563 2267.108893 2157.609238 2210.676336 1546.04047 1977.138106 1166.094977 1018.866124 1829.16935 1744.847138 1525.06943 1468.811125 1342.951381 1999.212948 2220.003786 1509.377435 1827.049409 1967.176173 2208.462752 2188.653561 1750.814967 1573.859032 1871.68465 2179.82911 1619.634032 1563.951251 1643.829851 1166.925782 2071.362508 1236.426106 1843.400716 2188.293755 1182.384356 2130.98459 1980.502853 1272.99428 1445.374729 1804.037588 1926.951688 1783.9213 2348.407748 1570.55514 2574.801416 1366.875077 1961.928495 1760.696344 1084.696571 2204.653934 1439.242183 1996.893389 2334.663987 1607.432196 1332.664504 1205.395491 1845.428967 1467.761536 2209.094545 2060.851827 3017.527006 2436.64054 No_result_found_in_bank_inhouse 157.014249 [(M-H)-2(H2O)]- 1276 D-glucopyranuronic acid 194.04265266 C6H10O7 AEMOLEFTQBMNLQ-AQKNRBDQSA-N 3616 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.85]; fullscan high no curation splash10-0006-0901100000-8286807b1cd6e09f7e56 +M158T53 M157.863T0.89 157.8630114 157.8623135 157.8637326 0.891616814 0.863597188 1.016767975 0 352 0 272 [3M+2Cl]2- 81.9252 [M+Cl]- 122.891 45 312.7500598 38.54162213 0 1 1 0.141326173 0.133349894 1 1901.007739 268.6621479 0.141326173 1916.332853 255.5427823 0.133349894 0.943561205 0.779617493 7.10E-06 1269.709475 2546.172869 1276.463394 0.997345783 0.997340401 0.917465563 0.997357946 0.917754402 0.895228214 0.891406289 0.989714906 0.89078351 0.98888698 0.895228214 1725.661682 1623.357966 1509.759485 1664.559869 1726.837548 1943.946496 1903.252665 1435.96489 1765.774412 2070.61419 1845.053533 1791.716469 1781.09372 1932.229596 1516.100347 1484.129 2014.008627 1490.03698 2036.937781 1910.966147 2285.376264 1908.820531 1905.034628 2083.63606 2127.407128 1991.960552 2383.012941 1812.558475 1917.067618 1938.04189 1921.658911 1883.138555 1787.750587 1990.489696 1713.11359 2460.102498 2312.191409 2184.681259 1922.061041 1754.264625 2214.483166 1452.3392 1705.661523 2146.244136 1988.583947 1457.125236 2192.498352 1814.910752 2411.186479 2039.011963 1816.491694 1486.021988 1871.456695 1772.216977 2028.935329 1883.488969 2058.009794 1655.620738 1890.431707 1682.490586 1492.18074 2119.766386 1445.553582 1424.860251 1705.554545 2251.524412 2304.303855 2177.355381 2353.791314 1702.813861 1562.209145 1821.00242 1732.650727 1944.506207 2010.523084 1759.169458 1916.185025 2297.83231 2543.298482 1803.989382 2517.899686 2240.468246 2127.056376 1788.728303 1977.995697 1898.049628 1659.652961 1649.669358 1701.92372 1614.846744 1759.317667 1783.604586 1922.286255 1790.588619 1923.034164 1905.762692 1879.839193 1323.299689 2002.283926 1953.695156 1566.623284 2075.119587 1878.066223 1974.120228 1644.117681 2218.594382 1790.977523 1339.153962 2358.16933 1909.193369 1715.052643 2184.993561 1996.522891 1327.865365 1773.850579 2034.800252 1551.066454 2116.280034 2803.811039 1762.824008 1735.852111 1759.167329 1519.320921 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M159T56 M158.8466T0.93 158.8466299 158.8459662 158.847527 0.925755975 0.838417261 0.965690546 0 215 0 210 [M-H-H20]- 177.867 48 Inf 50.7504002 0 1 1 0.177009303 0.165937814 1 982.0387119 173.8299883 0.177009303 925.5952204 153.5912476 0.165937814 0.9374525 0.935075608 2.20E-11 670.1126196 1461.397421 791.2848017 0.274210111 0.278233853 0.89018862 0.281407219 0.887209209 0.896173123 0.652352267 0.527705516 0.651421769 0.524444844 0.896173123 946.1263101 864.5896201 924.7015773 817.3657828 1032.074664 973.9022067 1190.527859 744.2077202 1022.431851 919.5480965 830.4372743 1058.244419 813.4394439 1030.762682 1368.796549 1159.625147 834.9030409 743.8284751 777.6905262 837.7958075 1067.8599 882.8267518 806.0002325 1004.957739 942.9737097 1129.630712 890.8143827 872.7554414 990.8498625 633.4059927 751.2725477 942.3424119 1298.767468 845.0068615 892.4841959 858.2030001 835.655379 1176.036141 952.3148997 997.5254904 944.7702105 861.251514 1094.157821 1040.534674 902.887161 1046.582034 700.4828871 821.9963696 1065.441113 1236.434185 808.7688756 606.1271354 1042.2629 1219.865413 1180.182598 1030.100062 1009.183766 931.7213196 1120.649036 1294.9288 1039.189309 967.4932771 877.9490113 882.7919593 1205.193358 1053.36236 1059.596687 961.6987666 1056.406952 873.4756636 895.1839826 640.3976475 1637.871323 838.3883353 744.7248304 955.6650205 971.5379688 784.6961013 1175.483973 975.3696213 1294.837829 1007.401223 934.2099294 926.2612925 1026.972164 925.0888947 1220.234291 1044.804304 1052.156266 876.0365322 894.964959 730.5859443 972.8360451 748.8000101 744.8511704 921.5908323 889.202885 1029.528747 1050.374253 871.3499865 812.8743443 691.8400367 981.5653978 836.9556593 881.9538269 623.5093728 974.1509314 1068.65399 818.7894744 1060.8369 893.2057707 772.9862328 1175.845789 1155.750189 1395.75699 989.6743872 1192.040523 1106.119958 1036.801067 822.4650062 935.8417175 711.6596692 655.6893987 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M160T53 M159.86T0.89 159.8599655 159.8591128 159.8607527 0.891616814 0.860727702 1.012350333 0 264 0 208 [M+Cl]- 124.894 [M-H-C6H10O4]- 306.925 45 Inf 39.38809958 0 0 1 0.179473189 0.137674016 1 1289.161845 231.3699868 0.179473189 1258.108389 173.2088345 0.137674016 0.767100742 0.778687655 7.40E-06 950.9365006 1713.613719 762.6772181 0.767136029 0.768555237 0.978897075 0.764659619 0.978101298 0.835729189 0.91677177 0.917774791 0.917180308 0.916846385 0.835729189 1202.929489 1053.091295 1319.113492 1282.983101 1043.042501 1278.024028 1052.570978 1079.309294 1473.916556 1454.137266 1399.174751 965.5103384 1197.687012 1064.902027 1362.050769 1131.95458 1163.965342 1240.670344 1314.154419 1200.095733 1480.637593 1505.432959 1127.834951 1272.356515 1137.044659 1287.942174 1410.715137 1165.38222 1208.472867 1160.413904 1214.264514 1311.627752 1407.126468 1236.934563 1022.277534 1271.036035 1251.072805 1205.843378 1120.750561 1453.00847 995.6639017 1195.149683 1448.757836 1146.63313 1486.305105 869.8965624 1459.384422 1135.194891 1293.483836 1237.643002 973.3952405 817.5386518 1377.205493 1239.651799 1315.417565 1170.341294 1115.518345 1620.988777 1150.721261 1637.648935 1482.996198 1245.435832 1458.766815 1142.424833 1473.534461 1703.537249 1381.456127 1477.803837 1014.218437 1149.088122 1341.783541 665.9405736 1033.210422 1360.202956 1339.658224 1141.295293 1771.097599 1239.768319 1622.419256 1115.443352 1527.327915 1679.304963 1241.893637 1392.49591 1489.8473 1252.039362 844.4519656 984.3624309 1284.066998 1269.522759 1103.748024 952.1253819 1191.594465 997.4156681 1113.365748 1560.691204 1429.629982 1054.4303 1023.29457 1080.139376 1039.98851 1333.990712 1117.208366 1216.389831 1100.914268 1033.786999 889.7994338 975.4989121 1779.013711 1122.875878 1187.263992 1331.865395 1180.313201 1314.338758 797.8572105 1298.56876 825.1629824 1485.256685 1583.361254 1127.126512 944.8712198 1201.677176 1103.045893 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.043758 [(M-H)]- (13C) 260 indole-3-carboxylic acid 161.047678469 C9H7NO2 KMAKOBLIOCQGJP-UHFFFAOYSA-N 1503 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [10.3]; fullscan high no curation splash10-03di-0900000000-b42cf79bec0fdd12d33f +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.043758 [(M-H)]- (13C) 260 indole-3-carboxylic acid 161.047678469 C9H7NO2 KMAKOBLIOCQGJP-UHFFFAOYSA-N 1550 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [6.37]; fullscan high no curation splash10-03di-0900000000-b42cf79bec0fdd12d33f +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.043758 [(M-H)-(CO2)]- (13C) 204 Xanthurenic acid 205.037507709 C10H7NO4 FBZONXHGGPHHIY-UHFFFAOYSA-N 1911 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [4.18]; fullscan high no curation splash10-0udi-0090000000-662ea871f047c7df7853 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.043758 [(M-H)-(CO2)]- (13C) 204 Xanthurenic acid 205.037507709 C10H7NO4 FBZONXHGGPHHIY-UHFFFAOYSA-N 2429 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [5.11]; fullscan high no curation splash10-0udi-0090000000-662ea871f047c7df7853 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.043758 [(M-H)]- (13C) 2080 Indole-2-carboxylic acid 161.047678469 C9H7NO2 HCUARRIEZVDMPT-UHFFFAOYSA-N 2463 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [11.9]; fullscan high no curation splash10-03di-0901000000-f51a882cf1472ec6c3d3 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.043758 [(M-H)-(CO2)]- (13C) 204 Xanthurenic acid 205.037507709 C10H7NO4 FBZONXHGGPHHIY-UHFFFAOYSA-N 2554 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [9.11]; fullscan high no curation splash10-0udi-0090000000-662ea871f047c7df7853 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.043758 [(M-H)]- (13C) 437 2,4-Quinolinediol 161.047678469 C9H7NO2 HDHQZCHIXUUSMK-UHFFFAOYSA-N 2805 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [6.57]; fullscan high no curation splash10-03di-0900000000-2445729550f3c0917fa2 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.043758 [(M-H)]- (13C) 260 indole-3-carboxylic acid 161.047678469 C9H7NO2 KMAKOBLIOCQGJP-UHFFFAOYSA-N 3229 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [11.45]; fullscan high no curation splash10-03di-0900000000-b42cf79bec0fdd12d33f +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.043758 [(M-H)]- (13C) 437 2,4-Quinolinediol 161.047678469 C9H7NO2 HDHQZCHIXUUSMK-UHFFFAOYSA-N 3317 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [10.44]; fullscan high no curation splash10-03di-0900000000-2445729550f3c0917fa2 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.043758 [(M-H)]- (13C) 2080 Indole-2-carboxylic acid 161.047678469 C9H7NO2 HCUARRIEZVDMPT-UHFFFAOYSA-N 3347 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [7.4]; fullscan high no curation splash10-03di-0901000000-f51a882cf1472ec6c3d3 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.043758 [(M-H)]- (13C) 260 indole-3-carboxylic acid 161.047678469 C9H7NO2 KMAKOBLIOCQGJP-UHFFFAOYSA-N 3720 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [7.01]; fullscan high no curation splash10-03di-0900000000-b42cf79bec0fdd12d33f +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1137 Myo-Inositol 180.063388104 C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N 839 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.83]; fullscan high no curation splash10-004i-0190000000-110084d49973c3a5d455 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)]- 585 3-Hydroxy-3-methylglutaric acid 162.05282342 C6H10O5 NPOAOTPXWNWTSH-UHFFFAOYSA-N 850 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [3.2]; fullscan high no curation splash10-03di-0902000000-b4f781aae881fe69a0c6 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(C6H10O5)-(H2O)]- 1165 Melibiose 342.116211524 C12H22O11 DLRVVLDZNNYCBX-ABXHMFFYSA-N 966 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.59]; fullscan high no curation splash10-000i-0009100000-47a2ae38015722afaa67 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H3PO4)]- 2075 D-Fructose 6-phosphate 260.029718626 C6H13O9P BGWGXPAPYGQALX-VRPWFDPXSA-N 1000 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.94]; fullscan high no curation splash10-0a4i-0091000000-6ee73d0c75deefdc3430 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H3PO4)]- 2075 D-Fructose 6-phosphate 260.029718626 C6H13O9P BGWGXPAPYGQALX-VRPWFDPXSA-N 1055 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.87]; fullscan high no curation splash10-0a4i-0091000000-6ee73d0c75deefdc3430 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1143 D-Fructose 180.063388104 C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N 1230 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.98]; fullscan high no curation splash10-004i-2950000000-5039fb1040b5ff09ac79 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1137 Myo-Inositol 180.063388104 C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N 1303 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.62]; fullscan high no curation splash10-004i-0190000000-110084d49973c3a5d455 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(C6H10O5)-(H2O)]- 1163 Isomaltose 342.116211524 C12H22O11 DLRVVLDZNNYCBX-RTPHMHGBSA-N 1361 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.92]; fullscan high no curation splash10-000i-0009100000-997e781485d8610975fe +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(C6H10O5)-(H2O)]- 1164 Lactulose 342.116211524 C12H22O11 JCQLYHFGKNRPGE-FCVZTGTOSA-N 1437 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.95]; fullscan high no curation splash10-000i-0109100000-bcbef5ee809cf7dbc41b +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1881 D-Mannose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N 1485 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.91]; fullscan high no curation splash10-004i-1960000000-4de452bf1662cb8ed1f2 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1137 Myo-Inositol 180.063388104 C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N 1495 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.62]; fullscan high no curation splash10-004i-0190000000-110084d49973c3a5d455 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1137 Myo-Inositol 180.063388104 C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N 1581 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.85]; fullscan high no curation splash10-004i-0190000000-110084d49973c3a5d455 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H3PO4)]- 1130 D-Glucose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-GASJEMHNSA-N 1692 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.14]; fullscan high no curation splash10-0a4i-1091000000-5c993d839d16918ad2fc +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(C6H10O5)-(H2O)]- 1165 Melibiose 342.116211524 C12H22O11 DLRVVLDZNNYCBX-ABXHMFFYSA-N 1713 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.64]; fullscan high no curation splash10-000i-0009100000-47a2ae38015722afaa67 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1882 Allose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-IVMDWMLBSA-N 1740 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.92]; fullscan high no curation splash10-004i-2970000000-d26bf81db0d0a4b45bde +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1143 D-Fructose 180.063388104 C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N 1750 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.71]; fullscan high no curation splash10-004i-2950000000-5039fb1040b5ff09ac79 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(C6H10O5)-(H2O)]- 1165 Melibiose 342.116211524 C12H22O11 DLRVVLDZNNYCBX-ABXHMFFYSA-N 1782 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.9]; fullscan high no curation splash10-000i-0009100000-47a2ae38015722afaa67 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H3PO4)]- 1130 D-Glucose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-GASJEMHNSA-N 1825 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.28]; fullscan high no curation splash10-0a4i-1091000000-5c993d839d16918ad2fc +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(C6H10O5)-(H2O)]- 1163 Isomaltose 342.116211524 C12H22O11 DLRVVLDZNNYCBX-RTPHMHGBSA-N 1893 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.66]; fullscan high no curation splash10-000i-0009100000-997e781485d8610975fe +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)]- 585 3-Hydroxy-3-methylglutaric acid 162.05282342 C6H10O5 NPOAOTPXWNWTSH-UHFFFAOYSA-N 1969 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.95]; fullscan high no curation splash10-03di-0902000000-b4f781aae881fe69a0c6 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(C6H10O5)-(H2O)]- 1164 Lactulose 342.116211524 C12H22O11 JCQLYHFGKNRPGE-FCVZTGTOSA-N 2000 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.9]; fullscan high no curation splash10-000i-0109100000-bcbef5ee809cf7dbc41b +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1880 D-Galactose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-PHYPRBDBSA-N 2025 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.66]; fullscan high no curation splash10-004i-2890000000-6264130777d956bd9378 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H3PO4)]- 2075 D-Fructose 6-phosphate 260.029718626 C6H13O9P BGWGXPAPYGQALX-VRPWFDPXSA-N 2144 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.2]; fullscan high no curation splash10-0a4i-0091000000-6ee73d0c75deefdc3430 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(C6H10O5)-(H2O)]- 1159 maltose 342.116211524 C12H22O11 GUBGYTABKSRVRQ-PICCSMPSSA-N 2156 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.91]; fullscan high no curation splash10-000i-0109100000-29ffa80356ddfa4afe8a +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1881 D-Mannose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N 2242 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.68]; fullscan high no curation splash10-004i-1960000000-4de452bf1662cb8ed1f2 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1882 Allose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-IVMDWMLBSA-N 2284 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.66]; fullscan high no curation splash10-004i-2970000000-d26bf81db0d0a4b45bde +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1880 D-Galactose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-PHYPRBDBSA-N 2315 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.67]; fullscan high no curation splash10-004i-2890000000-6264130777d956bd9378 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(C6H10O5)-(H2O)]- 1165 Melibiose 342.116211524 C12H22O11 DLRVVLDZNNYCBX-ABXHMFFYSA-N 2347 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.9]; fullscan high no curation splash10-000i-0009100000-47a2ae38015722afaa67 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H3PO4)]- 1328 D-mannopyranose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-QTVWNMPRSA-N 2431 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.22]; fullscan high no curation splash10-0a4i-0091000000-f98f90f1719408821d56 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H3PO4)]- 1328 D-mannopyranose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-QTVWNMPRSA-N 2577 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.82]; fullscan high no curation splash10-0a4i-0091000000-f98f90f1719408821d56 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)]- 585 3-Hydroxy-3-methylglutaric acid 162.05282342 C6H10O5 NPOAOTPXWNWTSH-UHFFFAOYSA-N 2615 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.02]; fullscan high no curation splash10-03di-0902000000-b4f781aae881fe69a0c6 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(C6H10O5)-(H2O)]- 1163 Isomaltose 342.116211524 C12H22O11 DLRVVLDZNNYCBX-RTPHMHGBSA-N 2636 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.89]; fullscan high no curation splash10-000i-0009100000-997e781485d8610975fe +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(C6H10O5)-(H2O)]- 1159 maltose 342.116211524 C12H22O11 GUBGYTABKSRVRQ-PICCSMPSSA-N 2705 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.78]; fullscan high no curation splash10-000i-0109100000-29ffa80356ddfa4afe8a +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H3PO4)]- 2075 D-Fructose 6-phosphate 260.029718626 C6H13O9P BGWGXPAPYGQALX-VRPWFDPXSA-N 2729 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.28]; fullscan high no curation splash10-0a4i-0091000000-6ee73d0c75deefdc3430 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(C6H10O5)-(H2O)]- 1163 Isomaltose 342.116211524 C12H22O11 DLRVVLDZNNYCBX-RTPHMHGBSA-N 2760 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.61]; fullscan high no curation splash10-000i-0009100000-997e781485d8610975fe +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)]- 585 3-Hydroxy-3-methylglutaric acid 162.05282342 C6H10O5 NPOAOTPXWNWTSH-UHFFFAOYSA-N 2775 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [2.41]; fullscan high no curation splash10-03di-0902000000-b4f781aae881fe69a0c6 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(C6H10O5)-(H2O)]- 1164 Lactulose 342.116211524 C12H22O11 JCQLYHFGKNRPGE-FCVZTGTOSA-N 3110 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.63]; fullscan high no curation splash10-000i-0109100000-bcbef5ee809cf7dbc41b +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1880 D-Galactose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-PHYPRBDBSA-N 3126 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.9]; fullscan high no curation splash10-004i-2890000000-6264130777d956bd9378 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(C6H10O5)-(H2O)]- 1159 maltose 342.116211524 C12H22O11 GUBGYTABKSRVRQ-PICCSMPSSA-N 3133 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.91]; fullscan high no curation splash10-000i-0109100000-29ffa80356ddfa4afe8a +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H3PO4)]- 1328 D-mannopyranose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-QTVWNMPRSA-N 3217 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.81]; fullscan high no curation splash10-0a4i-0091000000-f98f90f1719408821d56 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1881 D-Mannose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N 3235 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.62]; fullscan high no curation splash10-004i-1960000000-4de452bf1662cb8ed1f2 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H3PO4)]- 1130 D-Glucose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-GASJEMHNSA-N 3257 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.19]; fullscan high no curation splash10-0a4i-1091000000-5c993d839d16918ad2fc +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1882 Allose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-IVMDWMLBSA-N 3295 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.77]; fullscan high no curation splash10-004i-2970000000-d26bf81db0d0a4b45bde +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H3PO4)]- 1130 D-Glucose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-GASJEMHNSA-N 3305 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.9]; fullscan high no curation splash10-0a4i-1091000000-5c993d839d16918ad2fc +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H3PO4)]- 1328 D-mannopyranose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-QTVWNMPRSA-N 3349 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.3]; fullscan high no curation splash10-0a4i-0091000000-f98f90f1719408821d56 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1882 Allose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-IVMDWMLBSA-N 3358 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.87]; fullscan high no curation splash10-004i-2970000000-d26bf81db0d0a4b45bde +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(C6H10O5)-(H2O)]- 1164 Lactulose 342.116211524 C12H22O11 JCQLYHFGKNRPGE-FCVZTGTOSA-N 3457 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.65]; fullscan high no curation splash10-000i-0109100000-bcbef5ee809cf7dbc41b +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1881 D-Mannose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N 3476 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.88]; fullscan high no curation splash10-004i-1960000000-4de452bf1662cb8ed1f2 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(C6H10O5)-(H2O)]- 1159 maltose 342.116211524 C12H22O11 GUBGYTABKSRVRQ-PICCSMPSSA-N 3497 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.61]; fullscan high no curation splash10-000i-0109100000-29ffa80356ddfa4afe8a +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1143 D-Fructose 180.063388104 C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N 3508 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.93]; fullscan high no curation splash10-004i-2950000000-5039fb1040b5ff09ac79 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.045549 [(M-H)-(H2O)]- 1143 D-Fructose 180.063388104 C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N 3655 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.67]; fullscan high no curation splash10-004i-2950000000-5039fb1040b5ff09ac79 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.04555 [(M-H)-(C12H22O11)]- 1144 Raffinose 504.169034944 C18H32O16 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 1572 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.84]; fullscan high no curation splash10-0002-0000092000-baf400543393df5230c4 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.04555 [(M-H)-(C12H22O11)]- 1144 Raffinose 504.169034944 C18H32O16 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 1754 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.67]; fullscan high no curation splash10-0002-0000092000-baf400543393df5230c4 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.04555 [(M-H)-(H2O)]- 1879 D-Glucose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N 2529 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.65]; fullscan high no curation splash10-004i-0690000000-c3e4b18676598cbf268f +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.04555 [(M-H)-(H2O)]- 1879 D-Glucose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N 2647 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.93]; fullscan high no curation splash10-004i-0690000000-c3e4b18676598cbf268f +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.04555 [(M-H)-(C12H22O11)]- 1144 Raffinose 504.169034944 C18H32O16 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 3075 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.55]; fullscan high no curation splash10-0002-0000092000-baf400543393df5230c4 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.04555 [(M-H)-(H2O)]- 1879 D-Glucose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N 3085 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.71]; fullscan high no curation splash10-004i-0690000000-c3e4b18676598cbf268f +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.04555 [(M-H)-(C12H22O11)]- 1144 Raffinose 504.169034944 C18H32O16 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 3097 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.0]; fullscan high no curation splash10-0002-0000092000-baf400543393df5230c4 +M161T56_2 M161.0455T0.94_2 161.0455362 161.0447147 161.0466211 0.941426235 0.91293756 1.234071262 0 248 0 245 [M-H]- 162.054 48 Inf 27.27713192 0 0 0 0.68301252 0.256130946 1 1298.689614 887.0212663 0.68301252 1237.342203 316.9216291 0.256130946 0.375001832 0.957169213 2.51E-13 655.5484184 1935.664706 1280.116288 0.435247538 0.437791455 0.920192475 0.429140231 0.917754402 0.563423006 0.944531655 0.538346554 0.941389658 0.527217437 0.563423006 963.996666 1321.636476 1140.55629 1177.378886 1472.124905 796.8787327 605.0249087 618.3334092 743.2285681 703.3030665 1015.540964 853.7914955 5058.253932 861.981342 951.0459225 1495.670713 1566.376561 530.2925596 1268.019121 1139.612121 810.0971003 1173.602209 1528.609797 923.3973941 1614.529186 792.1578871 3672.122415 843.1430193 1095.391967 945.9272684 1700.448575 870.1711885 3443.830445 1083.906144 840.310512 1070.822427 938.7611528 969.4730771 868.6355854 1140.55629 835.364341 1152.720892 995.1542468 1094.368236 941.3366072 684.8759119 748.7261079 1425.033288 1089.249582 1139.612121 1033.86518 685.4667772 1724.052803 665.4250265 3162.304472 1403.979473 1604.186179 972.5442695 1065.703773 957.1883074 1187.52774 1679.676855 663.3775649 2328.987593 1570.403063 977.6629236 871.4680928 1116.007893 1033.968118 1041.418533 2080.004559 1408.653595 563.0519455 945.1132837 837.4780046 1346.385157 1054.636901 1106.566202 694.0894892 1114.842852 874.2661117 996.0900781 585.384851 750.3946837 977.2150336 682.8284503 927.5001139 4709.161726 1686.084644 1611.696679 1346.385157 728.8963367 1592.813296 848.6728415 1041.134234 860.1380634 1011.205122 599.9062547 1863.190074 1253.046511 2442.565499 936.6157617 2633.287661 2254.675846 1267.074952 1027.825733 1031.032673 927.5001139 1825.312034 1027.255997 435.0855943 628.8166303 789.2964545 1495.670713 1759.793262 1498.396385 863.0050728 6419.81591 8816.651192 1098.06868 1983.99031 1192.646394 2491.760792 No_result_found_in_bank_inhouse 161.04555 [(M-H)-(H2O)]- 1879 D-Glucose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N 3327 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.98]; fullscan high no curation splash10-004i-0690000000-c3e4b18676598cbf268f +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.0400674 [M-H-NH3]- 1008 L-Tyrosine 181.073893217 C9H11NO3 OUYCCCASQSFEME-QMMMGPOBSA-N 123 null; LC-ESI-NA; MS; NEGATIVE; 2017-01-01; 2.5kV; Acquity UPLC HSS T3; [1.15]; fullscan high no curation splash10-001i-0900000000-85270543a993f1a8bd44 +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)]- 1188 trans-2-coumaric acid 164.047344116 C9H8O3 PMOWTIHVNWZYFI-AATRIKPKSA-N 924 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [6.94]; fullscan high no curation splash10-03di-0900000000-5f76cc5a85432316357f +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)-(H2O)]- 2081 3-(4-hydroxyphenyl)lactic acid 182.0579088 C9H10O4 JVGVDSSUAVXRDY-UHFFFAOYSA-N 1088 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [3.77]; fullscan high no curation splash10-001i-0903000000-8c2460a7c81c79ff24ce +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)-(NH3)]- 560 3-amino-3-(4-hydroxyphenyl)propanoic acid 181.073893217 C9H11NO3 JYPHNHPXFNEZBR-UHFFFAOYSA-N 1140 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.01]; fullscan high no curation splash10-001i-0921000000-91cd76ecb6f23862d6eb +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)]- 1924 trans-3-coumaric acid 164.047344116 C9H8O3 KKSDGJDHHZEWEP-SNAWJCMRSA-N 1157 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [6.18]; fullscan high no curation splash10-08fr-0960000000-2b9bfaa271adb88c99f1 +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)]- 1924 trans-3-coumaric acid 164.047344116 C9H8O3 KKSDGJDHHZEWEP-SNAWJCMRSA-N 1210 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [9.45]; fullscan high no curation splash10-08fr-0960000000-2b9bfaa271adb88c99f1 +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)-(NH3)]- 1923 o-tyrosine 181.073893217 C9H11NO3 WRFPVMFCRNYQNR-UHFFFAOYSA-N 1573 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [4.07]; fullscan high no curation splash10-001i-0940000000-9cff98b3c2a503308ffa +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)]- 1188 trans-2-coumaric acid 164.047344116 C9H8O3 PMOWTIHVNWZYFI-AATRIKPKSA-N 1706 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [11.54]; fullscan high no curation splash10-03di-0900000000-5f76cc5a85432316357f +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)-(NH3)]- 560 3-amino-3-(4-hydroxyphenyl)propanoic acid 181.073893217 C9H11NO3 JYPHNHPXFNEZBR-UHFFFAOYSA-N 1915 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.88]; fullscan high no curation splash10-001i-0921000000-91cd76ecb6f23862d6eb +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)]- 1243 4-Coumaric acid 164.047344116 C9H8O3 NGSWKAQJJWESNS-ZZXKWVIFSA-N 1928 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [9.5]; fullscan high no curation splash10-03di-0900000000-3cc5ace1a881c0d6a7b8 +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)]- 1924 trans-3-coumaric acid 164.047344116 C9H8O3 KKSDGJDHHZEWEP-SNAWJCMRSA-N 2055 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [8.55]; fullscan high no curation splash10-08fr-0960000000-2b9bfaa271adb88c99f1 +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)-(H2O)]- 2081 3-(4-hydroxyphenyl)lactic acid 182.0579088 C9H10O4 JVGVDSSUAVXRDY-UHFFFAOYSA-N 2344 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [8.2]; fullscan high no curation splash10-001i-0903000000-8c2460a7c81c79ff24ce +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)]- 1243 4-Coumaric acid 164.047344116 C9H8O3 NGSWKAQJJWESNS-ZZXKWVIFSA-N 2677 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [10.61]; fullscan high no curation splash10-03di-0900000000-3cc5ace1a881c0d6a7b8 +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)]- 1243 4-Coumaric acid 164.047344116 C9H8O3 NGSWKAQJJWESNS-ZZXKWVIFSA-N 3046 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [6.15]; fullscan high no curation splash10-03di-0900000000-3cc5ace1a881c0d6a7b8 +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)-(NH3)]- 560 3-amino-3-(4-hydroxyphenyl)propanoic acid 181.073893217 C9H11NO3 JYPHNHPXFNEZBR-UHFFFAOYSA-N 3062 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.94]; fullscan high no curation splash10-001i-0921000000-91cd76ecb6f23862d6eb +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)-(NH3)]- 1923 o-tyrosine 181.073893217 C9H11NO3 WRFPVMFCRNYQNR-UHFFFAOYSA-N 3162 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [8.6]; fullscan high no curation splash10-001i-0940000000-9cff98b3c2a503308ffa +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)-(H2O)]- 2081 3-(4-hydroxyphenyl)lactic acid 182.0579088 C9H10O4 JVGVDSSUAVXRDY-UHFFFAOYSA-N 3168 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [5.22]; fullscan high no curation splash10-001i-0903000000-8c2460a7c81c79ff24ce +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)]- 2040 Phenylpyruvic acid 164.047344116 C9H8O3 BTNMPGBKDVTSJY-UHFFFAOYSA-N 3208 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.45]; fullscan high no curation splash10-03di-0900000000-c70c10932a22e46da807 +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)]- 2040 Phenylpyruvic acid 164.047344116 C9H8O3 BTNMPGBKDVTSJY-UHFFFAOYSA-N 3268 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [6.23]; fullscan high no curation splash10-03di-0900000000-c70c10932a22e46da807 +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)]- 2040 Phenylpyruvic acid 164.047344116 C9H8O3 BTNMPGBKDVTSJY-UHFFFAOYSA-N 3278 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [5.31]; fullscan high no curation splash10-03di-0900000000-c70c10932a22e46da807 +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)]- 1243 4-Coumaric acid 164.047344116 C9H8O3 NGSWKAQJJWESNS-ZZXKWVIFSA-N 3379 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [6.42]; fullscan high no curation splash10-03di-0900000000-3cc5ace1a881c0d6a7b8 +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)]- 1188 trans-2-coumaric acid 164.047344116 C9H8O3 PMOWTIHVNWZYFI-AATRIKPKSA-N 3473 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [10.52]; fullscan high no curation splash10-03di-0900000000-5f76cc5a85432316357f +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.040069 [(M-H)-(H2O)]- 2081 3-(4-hydroxyphenyl)lactic acid 182.0579088 C9H10O4 JVGVDSSUAVXRDY-UHFFFAOYSA-N 3578 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.23]; fullscan high no curation splash10-001i-0903000000-8c2460a7c81c79ff24ce +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.0401 [M-H]- 1243 4-Coumaric acid 164.047344116 C9H8O3 NGSWKAQJJWESNS-ZZXKWVIFSA-N 17 null; LC-ESI-NA; MS; NEGATIVE; 2017-01-01; 3.8kV; Hypersil Gold C18; [8.95-9.2]; fullscan high no curation splash10-03di-0900000000-1fcfcd10168fe2587ef5 +M163T72 M163.0401T1.2 163.0400939 163.0394972 163.0407301 1.200766544 1.069334155 1.256583163 0 111 0 111 32 86.98029499 32.04868542 0 1 1 0.557423046 0.293252478 1 981.5279761 547.1263141 0.557423046 1091.570096 320.1056355 0.293252478 0.526086031 0.722483134 6.69E-05 0 1732.497788 1732.497788 0.98418722 0.984412683 0.797864997 0.984532799 0.799360927 0.895228214 0.49728049 0.877254344 0.491323421 0.875416782 0.895228214 950.5954833 1160.687098 983.9049594 1026.071913 1313.598983 1386.659051 1588.33648 1516.633142 0 1418.332928 2014.506446 583.0182346 1685.15153 1664.08498 361.734502 1143.277531 700.6175896 999.9223676 1530.902209 670.4291967 0 1128.340903 655.6876404 35.25698998 664.6831781 663.7264272 1170.285457 575.6500191 983.054027 1282.765544 1066.439536 0 0 1214.068465 0 1404.717816 1249.148968 1590.506263 1167.586511 1571.98728 980.8279578 866.3759084 1021.634804 443.899289 1353.347696 777.2837777 790.2063433 883.2276892 1765.553869 806.6534821 1449.243949 1241.134539 899.7686171 1589.805815 1588.201766 977.3508744 0 717.0095564 1822.454032 37.11645019 1081.639825 1174.648275 1299.668952 0 1523.994338 1147.884022 1165.521892 1843.807461 47.86972077 1613.332706 1670.844261 1019.151997 1936.031326 28.69755511 1190.148892 991.1603779 1053.061063 901.6584615 1430.602039 1409.756862 1876.982748 1268.880947 1598.563274 1138.462474 1650.294594 0 1116.75169 819.5243171 0 1758.03124 1091.633268 2127.40034 1241.717465 2217.818093 0 875.2697832 887.9137934 1068.41558 1961.393328 1422.909695 1076.542407 1558.640369 2140.045897 1254.534619 729.2665839 41.01823165 1079.207647 1530.704362 0 941.2349307 1343.245115 1493.826876 1146.088315 0 727.9526094 1119.506381 0 1533.05027 917.3978642 1141.2091 849.9610206 1209.910847 0 0.0000939#163.04#0.050766544#1.15#L-Tyrosine [M-H-NH3]-##C9H7O3#163.0400674#12.73#163.04#1.15#-0.413395315 163.0401 [M-H]- 1924 trans-3-coumaric acid 164.047344116 C9H8O3 KKSDGJDHHZEWEP-SNAWJCMRSA-N 50 null; LC-ESI-NA; MS; NEGATIVE; 2017-01-01; 3.8kV; Hypersil Gold C18; [10.4-10.85]; fullscan high no curation splash10-03di-0900000000-15546ed88a2b55262362 +M163T1075 M163.1129T17.92 163.112856 163.1118117 163.1136941 17.9151951 17.90227005 17.928736 0 80 0 80 12 17.44297148 28.83371238 0 0 1 0.531620378 0.19468809 1 1588.961801 844.7244738 0.531620378 1440.348558 280.4187091 0.19468809 0.366216378 0.935893196 1.92E-11 892.5263308 2443.363119 1550.836789 0.997345783 0.997340401 0.828852751 0.997357946 0.82935687 0.970545484 0.684119509 0.913056964 0.686164823 0.913037985 0.970545484 1380.01968 1046.581026 937.2388977 1542.098587 1580.668283 1404.683862 1424.895712 1114.348407 874.7505809 1397.956505 1739.374805 1467.406901 1474.612008 1672.825596 1620.961928 998.9458924 882.0381105 1717.105881 975.9968972 653.0135678 1374.147256 2492.256818 2861.045056 3198.122204 2959.701782 2888.058207 2173.348551 1670.117434 2787.052424 4057.817896 1845.115675 3311.792998 2254.908677 2814.065663 1329.516832 3300.118793 1210.714845 2139.03411 1397.636953 1576.158648 2535.826233 2822.640482 1971.960037 2269.343772 2072.965732 3109.854973 2314.909608 2955.796911 2993.105098 2916.245843 2205.682519 4956.326 2117.596156 2485.611837 2789.517207 2532.189303 2863.944922 1999.578856 2409.086208 2626.42792 1719.997276 1791.089372 2815.827405 3130.538815 2238.566081 2752.288875 1971.960037 2486.384394 2327.258854 994.7886546 723.4826579 1576.344738 1276.271439 1883.873674 1141.599259 1108.713683 1244.953924 1848.639129 2069.251834 2404.760741 796.6894092 1798.364199 1226.162167 1830.886062 1408.207316 1483.110205 1621.314029 1416.436692 1122.913558 1182.706228 1657.198101 1471.424461 1665.419495 1966.59365 1447.586676 2068.267793 1434.045983 2417.524022 2475.831201 2858.29232 1856.860523 2597.960453 2243.266033 3038.392266 3411.878443 3451.238129 3026.647418 3276.441264 4501.853349 1957.866219 1930.915037 2633.194998 2056.786712 2409.300091 2566.526177 1524.481315 1949.688477 3128.436852 2118.770641 1435.220467 2678.203453 1681.50301 3060.723436 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M165T56_1 M164.8361T0.93_1 164.8361035 164.8357356 164.8366314 0.925748065 0.857846204 1.088226656 0 307 0 305 [M-H-CH2]- 179.864 48 510.0497082 53.01844801 0 1 1 0.113678458 0.110022906 1 4256.229581 483.8416177 0.113678458 4004.372279 440.5726754 0.110022906 0.967843052 0.978168583 1.67E-16 3213.037986 5145.128765 1932.090779 0.924827568 0.923406161 0.907981747 0.924732655 0.905542086 0.91798044 0.847848538 0.989714906 0.850440292 0.98888698 0.91798044 4288.744153 4029.245289 3954.556684 3794.470092 4431.230886 4435.419355 5065.588084 3865.316449 4499.735567 4606.190295 3879.490699 3831.008498 4255.90261 4684.857593 4183.219768 4531.973152 3727.903935 5019.876468 4056.911459 3906.071975 4335.074889 4293.460748 4614.402131 4461.834883 4254.379234 4001.446534 4540.406402 4569.894491 4836.989948 4343.038988 4821.468076 3746.544196 3972.404777 4242.168198 4503.248041 5345.8546 3875.579512 3953.161029 4630.823701 3936.038001 3943.874411 3907.559286 4009.93372 4532.185317 4327.7358 3996.95604 4160.510663 4215.762026 4449.89057 4108.607978 4078.346257 3610.615486 4781.120819 3570.392043 3993.578937 4135.70316 4226.231139 4311.548899 4531.931985 4880.776944 4356.630849 3699.80254 5047.969536 4557.085491 3925.591135 5106.848256 4468.467336 4193.803135 4000.173934 4490.713297 4043.719458 5128.809121 3981.684575 3786.73164 3541.467705 3724.7849 3703.794903 3854.075919 4781.582199 3607.620856 4012.697976 4829.56106 3543.274709 4510.505325 4412.980617 4366.170114 4885.073583 4419.314761 4961.795908 4039.433112 4057.235211 3363.075358 4702.9679 3983.91767 4518.235664 4118.62732 3981.221105 3810.571871 3915.624497 4324.466544 4287.084687 3578.075182 5020.061065 3744.348853 4473.877408 3576.596795 4185.959821 4490.057189 4763.417961 4906.267375 4421.67194 4030.638388 4811.486688 5381.557167 4651.133302 3414.174231 4253.843469 4062.868482 5092.760534 3615.497025 3977.786822 5034.825618 4324.568997 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.040464 [(M-H)+(H2O)]- 1316 D-ribono-1,4-lactone 148.037173356 C5H8O5 CUOKHACJLGPRHD-BXXZVTAOSA-N 1920 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.9]; fullscan high no curation splash10-0006-0900000000-b5e71c01d7c8a8ac6363 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.040464 [(M-H)+(H2O)]- 1316 D-ribono-1,4-lactone 148.037173356 C5H8O5 CUOKHACJLGPRHD-BXXZVTAOSA-N 2182 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.83]; fullscan high no curation splash10-0006-0900000000-b5e71c01d7c8a8ac6363 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.040464 [(M-H)-(CO2)]- 1410 D-glucaric acid 210.03756728 C6H10O8 DSLZVSRJTYRBFB-LLEIAEIESA-N 2496 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.57]; fullscan high no curation splash10-0a4i-0090000000-d3524b4d9f7c62714dd9 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.040464 [(M-H)-(CO2)]- 1410 D-glucaric acid 210.03756728 C6H10O8 DSLZVSRJTYRBFB-LLEIAEIESA-N 3565 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.18]; fullscan high no curation splash10-0a4i-0090000000-d3524b4d9f7c62714dd9 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.0418 [(M-H)]- 367 3-Methylxanthine 166.049075452 C6H6N4O2 GMSNIKWWOQHZGF-UHFFFAOYSA-N 835 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [4.23]; fullscan high no curation splash10-014i-0902000000-d1482e90156eed92f831 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.0418 [(M-H)]- 1956 7-Methylxanthine 166.049075452 C6H6N4O2 PFWLFWPASULGAN-UHFFFAOYSA-N 865 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.94]; fullscan high no curation splash10-014i-0912000000-35aa1657f63a1aee9ea2 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.0418 [(M-H)]- 367 3-Methylxanthine 166.049075452 C6H6N4O2 GMSNIKWWOQHZGF-UHFFFAOYSA-N 897 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.1]; fullscan high no curation splash10-014i-0902000000-d1482e90156eed92f831 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.0418 [(M-H)]- 367 3-Methylxanthine 166.049075452 C6H6N4O2 GMSNIKWWOQHZGF-UHFFFAOYSA-N 939 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.23]; fullscan high no curation splash10-014i-0902000000-d1482e90156eed92f831 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.0418 [(M-H)]- 1956 7-Methylxanthine 166.049075452 C6H6N4O2 PFWLFWPASULGAN-UHFFFAOYSA-N 1681 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.8]; fullscan high no curation splash10-014i-0912000000-35aa1657f63a1aee9ea2 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.0418 [(M-H)]- 1989 1-methylxanthine 166.049075452 C6H6N4O2 MVOYJPOZRLFTCP-UHFFFAOYSA-N 1710 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.41]; fullscan high no curation splash10-014i-0902000000-2c8d8cdbbb1f9d1665c1 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.0418 [(M-H)]- 1989 1-methylxanthine 166.049075452 C6H6N4O2 MVOYJPOZRLFTCP-UHFFFAOYSA-N 2097 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.6]; fullscan high no curation splash10-014i-0902000000-2c8d8cdbbb1f9d1665c1 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.0418 [(M-H)-(C5H8O3)]- 1402 2'-O-Methylinosine 282.096419568 C11H14N4O5 HPHXOIULGYVAKW-IOSLPCCCSA-N 2388 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.18]; fullscan high no curation splash10-001i-0091000000-489be5a3b8f17f465422 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.0418 [(M-H)]- 1989 1-methylxanthine 166.049075452 C6H6N4O2 MVOYJPOZRLFTCP-UHFFFAOYSA-N 2487 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [4.36]; fullscan high no curation splash10-014i-0902000000-2c8d8cdbbb1f9d1665c1 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.0418 [(M-H)]- 1989 1-methylxanthine 166.049075452 C6H6N4O2 MVOYJPOZRLFTCP-UHFFFAOYSA-N 3055 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.18]; fullscan high no curation splash10-014i-0902000000-2c8d8cdbbb1f9d1665c1 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.0418 [(M-H)-(C5H8O3)]- 1402 2'-O-Methylinosine 282.096419568 C11H14N4O5 HPHXOIULGYVAKW-IOSLPCCCSA-N 3233 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.51]; fullscan high no curation splash10-001i-0091000000-489be5a3b8f17f465422 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.0418 [(M-H)]- 367 3-Methylxanthine 166.049075452 C6H6N4O2 GMSNIKWWOQHZGF-UHFFFAOYSA-N 3253 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.49]; fullscan high no curation splash10-014i-0902000000-d1482e90156eed92f831 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.0418 [(M-H)-(C5H8O3)]- 1402 2'-O-Methylinosine 282.096419568 C11H14N4O5 HPHXOIULGYVAKW-IOSLPCCCSA-N 3293 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.03]; fullscan high no curation splash10-001i-0091000000-489be5a3b8f17f465422 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.0418 [(M-H)]- 1956 7-Methylxanthine 166.049075452 C6H6N4O2 PFWLFWPASULGAN-UHFFFAOYSA-N 3555 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [3.2]; fullscan high no curation splash10-014i-0912000000-35aa1657f63a1aee9ea2 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.044313 [(M-H)]- (18O) 1188 trans-2-coumaric acid 164.047344116 C9H8O3 PMOWTIHVNWZYFI-AATRIKPKSA-N 924 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [6.94]; fullscan high no curation splash10-03di-0900000000-5f76cc5a85432316357f +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.044313 [(M-H)]- (18O) 1924 trans-3-coumaric acid 164.047344116 C9H8O3 KKSDGJDHHZEWEP-SNAWJCMRSA-N 1157 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [6.18]; fullscan high no curation splash10-08fr-0960000000-2b9bfaa271adb88c99f1 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.044313 [(M-H)]- (18O) 1924 trans-3-coumaric acid 164.047344116 C9H8O3 KKSDGJDHHZEWEP-SNAWJCMRSA-N 1210 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [9.45]; fullscan high no curation splash10-08fr-0960000000-2b9bfaa271adb88c99f1 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.044313 [(M-H)]- (18O) 1188 trans-2-coumaric acid 164.047344116 C9H8O3 PMOWTIHVNWZYFI-AATRIKPKSA-N 1706 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [11.54]; fullscan high no curation splash10-03di-0900000000-5f76cc5a85432316357f +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.044313 [(M-H)]- (18O) 1243 4-Coumaric acid 164.047344116 C9H8O3 NGSWKAQJJWESNS-ZZXKWVIFSA-N 1928 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [9.5]; fullscan high no curation splash10-03di-0900000000-3cc5ace1a881c0d6a7b8 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.044313 [(M-H)]- (18O) 1924 trans-3-coumaric acid 164.047344116 C9H8O3 KKSDGJDHHZEWEP-SNAWJCMRSA-N 2055 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [8.55]; fullscan high no curation splash10-08fr-0960000000-2b9bfaa271adb88c99f1 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.044313 [(M-H)]- (18O) 1243 4-Coumaric acid 164.047344116 C9H8O3 NGSWKAQJJWESNS-ZZXKWVIFSA-N 2677 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [10.61]; fullscan high no curation splash10-03di-0900000000-3cc5ace1a881c0d6a7b8 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.044313 [(M-H)]- (18O) 1243 4-Coumaric acid 164.047344116 C9H8O3 NGSWKAQJJWESNS-ZZXKWVIFSA-N 3046 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [6.15]; fullscan high no curation splash10-03di-0900000000-3cc5ace1a881c0d6a7b8 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.044313 [(M-H)]- (18O) 2040 Phenylpyruvic acid 164.047344116 C9H8O3 BTNMPGBKDVTSJY-UHFFFAOYSA-N 3208 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.45]; fullscan high no curation splash10-03di-0900000000-c70c10932a22e46da807 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.044313 [(M-H)]- (18O) 2040 Phenylpyruvic acid 164.047344116 C9H8O3 BTNMPGBKDVTSJY-UHFFFAOYSA-N 3268 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [6.23]; fullscan high no curation splash10-03di-0900000000-c70c10932a22e46da807 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.044313 [(M-H)]- (18O) 2040 Phenylpyruvic acid 164.047344116 C9H8O3 BTNMPGBKDVTSJY-UHFFFAOYSA-N 3278 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [5.31]; fullscan high no curation splash10-03di-0900000000-c70c10932a22e46da807 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.044313 [(M-H)]- (18O) 1243 4-Coumaric acid 164.047344116 C9H8O3 NGSWKAQJJWESNS-ZZXKWVIFSA-N 3379 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [6.42]; fullscan high no curation splash10-03di-0900000000-3cc5ace1a881c0d6a7b8 +M165T56_2 M165.0404T0.93_2 165.0404413 165.0396934 165.0416625 0.925741667 0.899334974 0.946249747 0 117 0 117 843 543.0712622 31.14812105 0 0 0 0.577311427 0.237908261 1 3640.662207 2101.795895 0.577311427 3461.581606 823.5388605 0.237908261 0.41209692 0.990539046 1.79E-20 2056.71227 6253.756075 4197.043804 0.130912348 0.135303397 0.963777638 0.127677184 0.961925493 0.765470316 0.802136215 0.295961655 0.792893059 0.28119371 0.765470316 2863.643069 3589.890626 3194.198675 4325.35527 12017.21604 3039.470519 2112.776394 2795.99889 2549.051 2760.328639 2502.405287 2294.786135 1522.845323 2441.125626 1488.089694 2123.751856 4149.52782 1998.448667 2018.499126 3248.119093 3993.627481 2862.470886 6155.132933 3223.50325 5134.16154 3106.28495 2400.882266 2193.154393 3845.984735 3010.020395 1728.969925 2988.984093 3442.636514 3776.773626 2877.709265 6124.307677 3071.300057 3809.399862 4147.183454 6068.391391 4348.112111 3278.004587 2694.848717 1902.413376 1924.724486 1830.158253 2936.318415 3576.171299 3966.714814 2599.901894 1951.684695 2366.637477 7745.785264 3436.234161 3068.556191 3384.092321 5333.159807 3411.539372 1664.611704 2842.644603 3448.124245 3951.428893 2643.257047 4446.891267 9120.608745 7730.383585 2404.147333 2472.133947 4106.651952 2262.31319 5686.259733 4043.543047 1680.160275 2167.366367 3277.423668 2673.749423 3300.867328 3086.357839 1797.231868 2661.549483 4147.809934 3424.344078 2531.91528 2764.901749 2615.140273 1968.266147 1867.657747 4767.008903 4288.661693 3682.998986 4137.80599 4480.732275 3523.582098 3859.704062 1785.341784 3441.529288 3277.423668 1841.133715 3222.212656 2766.730992 7874.725394 3708.787012 2677.265972 2903.497291 2604.590626 7819.101902 2814.411383 5527.059632 4029.82372 2964.450807 3593.549113 2168.53855 2390.821426 2728.316876 4294.149424 3671.277156 1991.131693 5544.437446 1795.784356 4552.758772 5776.751387 2208.811685 2216.128659 No_result_found_in_bank_inhouse 165.044313 [(M-H)]- (18O) 1188 trans-2-coumaric acid 164.047344116 C9H8O3 PMOWTIHVNWZYFI-AATRIKPKSA-N 3473 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [10.52]; fullscan high no curation splash10-03di-0900000000-5f76cc5a85432316357f +M167T55 M166.8605T0.91 166.8604803 166.8594882 166.8613241 0.908399457 0.872420773 0.925999898 0 153 0 153 [3M-H+Cl]2- 99.9233 45 Inf 22.26094919 0 1 1 0.196516142 0.147846179 1 2337.283781 459.3139922 0.196516142 2168.922084 320.6668425 0.147846179 0.752336053 0.965754615 2.23E-14 1194.994672 3140.166549 1945.171877 0.088828727 0.079452736 0.715391897 0.079178006 0.695696123 0.895228214 0.017710942 0.955277479 0.017282096 0.954444196 0.895228214 2365.452222 2251.127447 2507.142557 2120.586073 2523.511252 1931.253552 1955.360739 2087.357731 2381.533568 2860.915238 3274.718338 2095.480273 1996.015195 3067.843577 2861.001396 2849.565969 2291.866882 2871.920301 2198.429334 1985.570521 2236.996218 2036.429045 1862.317064 2445.336342 2657.060411 1957.095318 2582.972325 2612.929486 2919.562742 2473.544471 2518.760779 2975.43369 2873.111484 2130.55493 2242.010295 2220.234769 3021.155715 2423.247768 1905.783075 1989.410132 1617.313605 2700.390504 1926.650274 2690.938849 2307.687305 2069.598667 2211.894274 2273.130091 2121.14925 2840.235159 2122.088505 2280.606457 2084.854905 1748.603328 2645.671009 3204.938 2947.093994 2187.600815 1737.712668 2468.717514 2191.866308 2331.740997 2609.427122 2748.628678 2510.87931 2963.229495 2116.835513 1817.49387 2744.100712 2493.654155 3716.200122 3345.589258 1265.458715 2156.008473 1866.104626 2276.358282 2735.80705 1879.849146 2813.164041 2548.105442 2427.733645 2570.94031 2126.214506 2740.309066 2684.119293 2627.861793 2832.795389 2352.195096 3907.858688 2508.583232 2646.293144 2255.772446 2568.243175 2201.388757 2228.48458 1854.448948 2317.19305 2297.727835 2006.936587 1247.905451 4127.809288 1914.557759 2673.307467 2650.607711 2399.272112 1727.351628 2269.127942 2408.892407 2336.466501 1834.790941 1826.507004 1962.537086 2032.868849 2876.083613 2153.030498 2207.578692 1904.444777 2772.772649 2370.561762 2717.660591 1968.970204 2350.227659 3443.016904 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M168T50 M168.0778T0.83 168.077807 168.0767216 168.0784613 0.825015415 0.797831863 1.112226716 0 76 0 76 16 Inf 20.71663681 0 0 0 0.926424 0.285003842 1 781.7365704 724.2195204 0.926424 755.2677248 215.2542034 0.285003842 0.307638664 0.894073335 3.95E-09 341.9142764 1464.034696 1122.12042 0.706312375 0.708833935 0.828852751 0.709252557 0.82588821 0.926511606 0.841768538 0.53149086 0.844193462 0.529415534 0.926511606 211.2520979 279.6561926 997.4041835 208.0990815 545.1972461 545.4718348 891.9003491 825.7356348 393.4595012 812.5026919 437.5693107 199.3763392 79.39765719 588.4248594 273.4808192 640.4744347 1937.003067 192.3187696 3195.056605 276.4144365 1191.840194 225.9661743 407.7901193 246.9862836 428.8102285 262.7513655 74.98667624 240.6802508 448.155665 2188.72875 194.4360105 1468.856658 378.4621659 387.8210155 127.1716609 425.2185641 1899.368399 190.5543773 345.780797 228.0681853 2587.481428 552.2548156 607.4811571 1563.25165 367.8519117 290.2425468 736.7548289 491.3832784 336.998945 112.4575844 92.48848066 109.3045681 2488.780934 1197.140231 450.8022536 1217.064325 780.7436291 439.3337031 1576.484593 1367.404096 1154.794814 754.6219218 194.9653582 309.650863 307.8864707 2671.290066 172.3648958 97.74350797 277.009604 227.0171798 891.2526318 643.1210233 2303.414255 233.3232126 527.6047419 426.7082176 289.0265021 188.1299777 1341.820407 925.4238044 1078.925942 1776.743129 1127.728861 1024.229778 682.1025449 1068.339587 157.030922 272.598623 325.5303945 1429.367428 925.9358121 486.0901013 454.0343596 561.9589737 414.6322098 712.5817033 1167.667068 300.8289011 277.8918002 374.9333812 194.4360105 792.4581184 1113.014784 196.5380214 341.5767752 661.6471433 2696.880016 782.5080214 1895.839615 2259.661743 935.1279625 155.5488084 165.8528839 901.6045072 476.3859432 469.7994415 375.8155774 276.1274078 2308.007995 729.3977907 1421.218064 232.8997944 544.3150499 0.000207#168.0776#0.055015415#0.77#3-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784##168.0776#0.77#-1.42790983|0.000093#168.0779#0.075015415#0.75#1-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784#100#168.0779#0.75#0.356977458 168.0778499 [M-H]- 1896 N(tele)-methyl-L-histidine 169.085126607 C7H11N3O2 BRMWTNUJHUMWMS-LURJTMIESA-N 58 null; LC-ESI-NA; MS; NEGATIVE; 2017-01-01; 2.5kV; Acquity UPLC HSS T3; [0.75]; fullscan high no curation splash10-014i-0900000000-be76e37cab1577564e37 +M168T50 M168.0778T0.83 168.077807 168.0767216 168.0784613 0.825015415 0.797831863 1.112226716 0 76 0 76 16 Inf 20.71663681 0 0 0 0.926424 0.285003842 1 781.7365704 724.2195204 0.926424 755.2677248 215.2542034 0.285003842 0.307638664 0.894073335 3.95E-09 341.9142764 1464.034696 1122.12042 0.706312375 0.708833935 0.828852751 0.709252557 0.82588821 0.926511606 0.841768538 0.53149086 0.844193462 0.529415534 0.926511606 211.2520979 279.6561926 997.4041835 208.0990815 545.1972461 545.4718348 891.9003491 825.7356348 393.4595012 812.5026919 437.5693107 199.3763392 79.39765719 588.4248594 273.4808192 640.4744347 1937.003067 192.3187696 3195.056605 276.4144365 1191.840194 225.9661743 407.7901193 246.9862836 428.8102285 262.7513655 74.98667624 240.6802508 448.155665 2188.72875 194.4360105 1468.856658 378.4621659 387.8210155 127.1716609 425.2185641 1899.368399 190.5543773 345.780797 228.0681853 2587.481428 552.2548156 607.4811571 1563.25165 367.8519117 290.2425468 736.7548289 491.3832784 336.998945 112.4575844 92.48848066 109.3045681 2488.780934 1197.140231 450.8022536 1217.064325 780.7436291 439.3337031 1576.484593 1367.404096 1154.794814 754.6219218 194.9653582 309.650863 307.8864707 2671.290066 172.3648958 97.74350797 277.009604 227.0171798 891.2526318 643.1210233 2303.414255 233.3232126 527.6047419 426.7082176 289.0265021 188.1299777 1341.820407 925.4238044 1078.925942 1776.743129 1127.728861 1024.229778 682.1025449 1068.339587 157.030922 272.598623 325.5303945 1429.367428 925.9358121 486.0901013 454.0343596 561.9589737 414.6322098 712.5817033 1167.667068 300.8289011 277.8918002 374.9333812 194.4360105 792.4581184 1113.014784 196.5380214 341.5767752 661.6471433 2696.880016 782.5080214 1895.839615 2259.661743 935.1279625 155.5488084 165.8528839 901.6045072 476.3859432 469.7994415 375.8155774 276.1274078 2308.007995 729.3977907 1421.218064 232.8997944 544.3150499 0.000207#168.0776#0.055015415#0.77#3-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784##168.0776#0.77#-1.42790983|0.000093#168.0779#0.075015415#0.75#1-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784#100#168.0779#0.75#0.356977458 168.0778499 [M-H]- 1003 3-Methyl-L-Histidine 169.085126607 C7H11N3O2 JDHILDINMRGULE-LURJTMIESA-N 60 null; LC-ESI-NA; MS; NEGATIVE; 2017-01-01; 2.5kV; Acquity UPLC HSS T3; [0.77]; fullscan high no curation splash10-014i-0900000000-e03b7e81e73cab75343b +M168T50 M168.0778T0.83 168.077807 168.0767216 168.0784613 0.825015415 0.797831863 1.112226716 0 76 0 76 16 Inf 20.71663681 0 0 0 0.926424 0.285003842 1 781.7365704 724.2195204 0.926424 755.2677248 215.2542034 0.285003842 0.307638664 0.894073335 3.95E-09 341.9142764 1464.034696 1122.12042 0.706312375 0.708833935 0.828852751 0.709252557 0.82588821 0.926511606 0.841768538 0.53149086 0.844193462 0.529415534 0.926511606 211.2520979 279.6561926 997.4041835 208.0990815 545.1972461 545.4718348 891.9003491 825.7356348 393.4595012 812.5026919 437.5693107 199.3763392 79.39765719 588.4248594 273.4808192 640.4744347 1937.003067 192.3187696 3195.056605 276.4144365 1191.840194 225.9661743 407.7901193 246.9862836 428.8102285 262.7513655 74.98667624 240.6802508 448.155665 2188.72875 194.4360105 1468.856658 378.4621659 387.8210155 127.1716609 425.2185641 1899.368399 190.5543773 345.780797 228.0681853 2587.481428 552.2548156 607.4811571 1563.25165 367.8519117 290.2425468 736.7548289 491.3832784 336.998945 112.4575844 92.48848066 109.3045681 2488.780934 1197.140231 450.8022536 1217.064325 780.7436291 439.3337031 1576.484593 1367.404096 1154.794814 754.6219218 194.9653582 309.650863 307.8864707 2671.290066 172.3648958 97.74350797 277.009604 227.0171798 891.2526318 643.1210233 2303.414255 233.3232126 527.6047419 426.7082176 289.0265021 188.1299777 1341.820407 925.4238044 1078.925942 1776.743129 1127.728861 1024.229778 682.1025449 1068.339587 157.030922 272.598623 325.5303945 1429.367428 925.9358121 486.0901013 454.0343596 561.9589737 414.6322098 712.5817033 1167.667068 300.8289011 277.8918002 374.9333812 194.4360105 792.4581184 1113.014784 196.5380214 341.5767752 661.6471433 2696.880016 782.5080214 1895.839615 2259.661743 935.1279625 155.5488084 165.8528839 901.6045072 476.3859432 469.7994415 375.8155774 276.1274078 2308.007995 729.3977907 1421.218064 232.8997944 544.3150499 0.000207#168.0776#0.055015415#0.77#3-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784##168.0776#0.77#-1.42790983|0.000093#168.0779#0.075015415#0.75#1-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784#100#168.0779#0.75#0.356977458 168.077851 [(M-H)]- 1896 N(tele)-methyl-L-histidine 169.085126607 C7H11N3O2 BRMWTNUJHUMWMS-LURJTMIESA-N 1083 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.78]; fullscan high no curation splash10-014r-0964000000-f13e3c97f63280d02188 +M168T50 M168.0778T0.83 168.077807 168.0767216 168.0784613 0.825015415 0.797831863 1.112226716 0 76 0 76 16 Inf 20.71663681 0 0 0 0.926424 0.285003842 1 781.7365704 724.2195204 0.926424 755.2677248 215.2542034 0.285003842 0.307638664 0.894073335 3.95E-09 341.9142764 1464.034696 1122.12042 0.706312375 0.708833935 0.828852751 0.709252557 0.82588821 0.926511606 0.841768538 0.53149086 0.844193462 0.529415534 0.926511606 211.2520979 279.6561926 997.4041835 208.0990815 545.1972461 545.4718348 891.9003491 825.7356348 393.4595012 812.5026919 437.5693107 199.3763392 79.39765719 588.4248594 273.4808192 640.4744347 1937.003067 192.3187696 3195.056605 276.4144365 1191.840194 225.9661743 407.7901193 246.9862836 428.8102285 262.7513655 74.98667624 240.6802508 448.155665 2188.72875 194.4360105 1468.856658 378.4621659 387.8210155 127.1716609 425.2185641 1899.368399 190.5543773 345.780797 228.0681853 2587.481428 552.2548156 607.4811571 1563.25165 367.8519117 290.2425468 736.7548289 491.3832784 336.998945 112.4575844 92.48848066 109.3045681 2488.780934 1197.140231 450.8022536 1217.064325 780.7436291 439.3337031 1576.484593 1367.404096 1154.794814 754.6219218 194.9653582 309.650863 307.8864707 2671.290066 172.3648958 97.74350797 277.009604 227.0171798 891.2526318 643.1210233 2303.414255 233.3232126 527.6047419 426.7082176 289.0265021 188.1299777 1341.820407 925.4238044 1078.925942 1776.743129 1127.728861 1024.229778 682.1025449 1068.339587 157.030922 272.598623 325.5303945 1429.367428 925.9358121 486.0901013 454.0343596 561.9589737 414.6322098 712.5817033 1167.667068 300.8289011 277.8918002 374.9333812 194.4360105 792.4581184 1113.014784 196.5380214 341.5767752 661.6471433 2696.880016 782.5080214 1895.839615 2259.661743 935.1279625 155.5488084 165.8528839 901.6045072 476.3859432 469.7994415 375.8155774 276.1274078 2308.007995 729.3977907 1421.218064 232.8997944 544.3150499 0.000207#168.0776#0.055015415#0.77#3-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784##168.0776#0.77#-1.42790983|0.000093#168.0779#0.075015415#0.75#1-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784#100#168.0779#0.75#0.356977458 168.077851 [(M-H)]- 2054 alpha-methylhistidine 169.085126607 C7H11N3O2 HRRYYCWYCMJNGA-UHFFFAOYSA-N 1211 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.85]; fullscan high no curation splash10-014i-0930000000-bc6bcf5f9e46998cc682 +M168T50 M168.0778T0.83 168.077807 168.0767216 168.0784613 0.825015415 0.797831863 1.112226716 0 76 0 76 16 Inf 20.71663681 0 0 0 0.926424 0.285003842 1 781.7365704 724.2195204 0.926424 755.2677248 215.2542034 0.285003842 0.307638664 0.894073335 3.95E-09 341.9142764 1464.034696 1122.12042 0.706312375 0.708833935 0.828852751 0.709252557 0.82588821 0.926511606 0.841768538 0.53149086 0.844193462 0.529415534 0.926511606 211.2520979 279.6561926 997.4041835 208.0990815 545.1972461 545.4718348 891.9003491 825.7356348 393.4595012 812.5026919 437.5693107 199.3763392 79.39765719 588.4248594 273.4808192 640.4744347 1937.003067 192.3187696 3195.056605 276.4144365 1191.840194 225.9661743 407.7901193 246.9862836 428.8102285 262.7513655 74.98667624 240.6802508 448.155665 2188.72875 194.4360105 1468.856658 378.4621659 387.8210155 127.1716609 425.2185641 1899.368399 190.5543773 345.780797 228.0681853 2587.481428 552.2548156 607.4811571 1563.25165 367.8519117 290.2425468 736.7548289 491.3832784 336.998945 112.4575844 92.48848066 109.3045681 2488.780934 1197.140231 450.8022536 1217.064325 780.7436291 439.3337031 1576.484593 1367.404096 1154.794814 754.6219218 194.9653582 309.650863 307.8864707 2671.290066 172.3648958 97.74350797 277.009604 227.0171798 891.2526318 643.1210233 2303.414255 233.3232126 527.6047419 426.7082176 289.0265021 188.1299777 1341.820407 925.4238044 1078.925942 1776.743129 1127.728861 1024.229778 682.1025449 1068.339587 157.030922 272.598623 325.5303945 1429.367428 925.9358121 486.0901013 454.0343596 561.9589737 414.6322098 712.5817033 1167.667068 300.8289011 277.8918002 374.9333812 194.4360105 792.4581184 1113.014784 196.5380214 341.5767752 661.6471433 2696.880016 782.5080214 1895.839615 2259.661743 935.1279625 155.5488084 165.8528839 901.6045072 476.3859432 469.7994415 375.8155774 276.1274078 2308.007995 729.3977907 1421.218064 232.8997944 544.3150499 0.000207#168.0776#0.055015415#0.77#3-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784##168.0776#0.77#-1.42790983|0.000093#168.0779#0.075015415#0.75#1-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784#100#168.0779#0.75#0.356977458 168.077851 [(M-H)]- 2054 alpha-methylhistidine 169.085126607 C7H11N3O2 HRRYYCWYCMJNGA-UHFFFAOYSA-N 1451 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.79]; fullscan high no curation splash10-014i-0930000000-bc6bcf5f9e46998cc682 +M168T50 M168.0778T0.83 168.077807 168.0767216 168.0784613 0.825015415 0.797831863 1.112226716 0 76 0 76 16 Inf 20.71663681 0 0 0 0.926424 0.285003842 1 781.7365704 724.2195204 0.926424 755.2677248 215.2542034 0.285003842 0.307638664 0.894073335 3.95E-09 341.9142764 1464.034696 1122.12042 0.706312375 0.708833935 0.828852751 0.709252557 0.82588821 0.926511606 0.841768538 0.53149086 0.844193462 0.529415534 0.926511606 211.2520979 279.6561926 997.4041835 208.0990815 545.1972461 545.4718348 891.9003491 825.7356348 393.4595012 812.5026919 437.5693107 199.3763392 79.39765719 588.4248594 273.4808192 640.4744347 1937.003067 192.3187696 3195.056605 276.4144365 1191.840194 225.9661743 407.7901193 246.9862836 428.8102285 262.7513655 74.98667624 240.6802508 448.155665 2188.72875 194.4360105 1468.856658 378.4621659 387.8210155 127.1716609 425.2185641 1899.368399 190.5543773 345.780797 228.0681853 2587.481428 552.2548156 607.4811571 1563.25165 367.8519117 290.2425468 736.7548289 491.3832784 336.998945 112.4575844 92.48848066 109.3045681 2488.780934 1197.140231 450.8022536 1217.064325 780.7436291 439.3337031 1576.484593 1367.404096 1154.794814 754.6219218 194.9653582 309.650863 307.8864707 2671.290066 172.3648958 97.74350797 277.009604 227.0171798 891.2526318 643.1210233 2303.414255 233.3232126 527.6047419 426.7082176 289.0265021 188.1299777 1341.820407 925.4238044 1078.925942 1776.743129 1127.728861 1024.229778 682.1025449 1068.339587 157.030922 272.598623 325.5303945 1429.367428 925.9358121 486.0901013 454.0343596 561.9589737 414.6322098 712.5817033 1167.667068 300.8289011 277.8918002 374.9333812 194.4360105 792.4581184 1113.014784 196.5380214 341.5767752 661.6471433 2696.880016 782.5080214 1895.839615 2259.661743 935.1279625 155.5488084 165.8528839 901.6045072 476.3859432 469.7994415 375.8155774 276.1274078 2308.007995 729.3977907 1421.218064 232.8997944 544.3150499 0.000207#168.0776#0.055015415#0.77#3-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784##168.0776#0.77#-1.42790983|0.000093#168.0779#0.075015415#0.75#1-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784#100#168.0779#0.75#0.356977458 168.077851 [(M-H)]- 2054 alpha-methylhistidine 169.085126607 C7H11N3O2 HRRYYCWYCMJNGA-UHFFFAOYSA-N 1673 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [3.7]; fullscan high no curation splash10-014i-0930000000-bc6bcf5f9e46998cc682 +M168T50 M168.0778T0.83 168.077807 168.0767216 168.0784613 0.825015415 0.797831863 1.112226716 0 76 0 76 16 Inf 20.71663681 0 0 0 0.926424 0.285003842 1 781.7365704 724.2195204 0.926424 755.2677248 215.2542034 0.285003842 0.307638664 0.894073335 3.95E-09 341.9142764 1464.034696 1122.12042 0.706312375 0.708833935 0.828852751 0.709252557 0.82588821 0.926511606 0.841768538 0.53149086 0.844193462 0.529415534 0.926511606 211.2520979 279.6561926 997.4041835 208.0990815 545.1972461 545.4718348 891.9003491 825.7356348 393.4595012 812.5026919 437.5693107 199.3763392 79.39765719 588.4248594 273.4808192 640.4744347 1937.003067 192.3187696 3195.056605 276.4144365 1191.840194 225.9661743 407.7901193 246.9862836 428.8102285 262.7513655 74.98667624 240.6802508 448.155665 2188.72875 194.4360105 1468.856658 378.4621659 387.8210155 127.1716609 425.2185641 1899.368399 190.5543773 345.780797 228.0681853 2587.481428 552.2548156 607.4811571 1563.25165 367.8519117 290.2425468 736.7548289 491.3832784 336.998945 112.4575844 92.48848066 109.3045681 2488.780934 1197.140231 450.8022536 1217.064325 780.7436291 439.3337031 1576.484593 1367.404096 1154.794814 754.6219218 194.9653582 309.650863 307.8864707 2671.290066 172.3648958 97.74350797 277.009604 227.0171798 891.2526318 643.1210233 2303.414255 233.3232126 527.6047419 426.7082176 289.0265021 188.1299777 1341.820407 925.4238044 1078.925942 1776.743129 1127.728861 1024.229778 682.1025449 1068.339587 157.030922 272.598623 325.5303945 1429.367428 925.9358121 486.0901013 454.0343596 561.9589737 414.6322098 712.5817033 1167.667068 300.8289011 277.8918002 374.9333812 194.4360105 792.4581184 1113.014784 196.5380214 341.5767752 661.6471433 2696.880016 782.5080214 1895.839615 2259.661743 935.1279625 155.5488084 165.8528839 901.6045072 476.3859432 469.7994415 375.8155774 276.1274078 2308.007995 729.3977907 1421.218064 232.8997944 544.3150499 0.000207#168.0776#0.055015415#0.77#3-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784##168.0776#0.77#-1.42790983|0.000093#168.0779#0.075015415#0.75#1-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784#100#168.0779#0.75#0.356977458 168.077851 [(M-H)]- 1896 N(tele)-methyl-L-histidine 169.085126607 C7H11N3O2 BRMWTNUJHUMWMS-LURJTMIESA-N 1821 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.78]; fullscan high no curation splash10-014r-0964000000-f13e3c97f63280d02188 +M168T50 M168.0778T0.83 168.077807 168.0767216 168.0784613 0.825015415 0.797831863 1.112226716 0 76 0 76 16 Inf 20.71663681 0 0 0 0.926424 0.285003842 1 781.7365704 724.2195204 0.926424 755.2677248 215.2542034 0.285003842 0.307638664 0.894073335 3.95E-09 341.9142764 1464.034696 1122.12042 0.706312375 0.708833935 0.828852751 0.709252557 0.82588821 0.926511606 0.841768538 0.53149086 0.844193462 0.529415534 0.926511606 211.2520979 279.6561926 997.4041835 208.0990815 545.1972461 545.4718348 891.9003491 825.7356348 393.4595012 812.5026919 437.5693107 199.3763392 79.39765719 588.4248594 273.4808192 640.4744347 1937.003067 192.3187696 3195.056605 276.4144365 1191.840194 225.9661743 407.7901193 246.9862836 428.8102285 262.7513655 74.98667624 240.6802508 448.155665 2188.72875 194.4360105 1468.856658 378.4621659 387.8210155 127.1716609 425.2185641 1899.368399 190.5543773 345.780797 228.0681853 2587.481428 552.2548156 607.4811571 1563.25165 367.8519117 290.2425468 736.7548289 491.3832784 336.998945 112.4575844 92.48848066 109.3045681 2488.780934 1197.140231 450.8022536 1217.064325 780.7436291 439.3337031 1576.484593 1367.404096 1154.794814 754.6219218 194.9653582 309.650863 307.8864707 2671.290066 172.3648958 97.74350797 277.009604 227.0171798 891.2526318 643.1210233 2303.414255 233.3232126 527.6047419 426.7082176 289.0265021 188.1299777 1341.820407 925.4238044 1078.925942 1776.743129 1127.728861 1024.229778 682.1025449 1068.339587 157.030922 272.598623 325.5303945 1429.367428 925.9358121 486.0901013 454.0343596 561.9589737 414.6322098 712.5817033 1167.667068 300.8289011 277.8918002 374.9333812 194.4360105 792.4581184 1113.014784 196.5380214 341.5767752 661.6471433 2696.880016 782.5080214 1895.839615 2259.661743 935.1279625 155.5488084 165.8528839 901.6045072 476.3859432 469.7994415 375.8155774 276.1274078 2308.007995 729.3977907 1421.218064 232.8997944 544.3150499 0.000207#168.0776#0.055015415#0.77#3-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784##168.0776#0.77#-1.42790983|0.000093#168.0779#0.075015415#0.75#1-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784#100#168.0779#0.75#0.356977458 168.077851 [(M-H)]- 1003 3-Methyl-L-Histidine 169.085126607 C7H11N3O2 JDHILDINMRGULE-LURJTMIESA-N 1882 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.78]; fullscan high no curation splash10-014i-0913000000-2aeb2996f14d743c5f8f +M168T50 M168.0778T0.83 168.077807 168.0767216 168.0784613 0.825015415 0.797831863 1.112226716 0 76 0 76 16 Inf 20.71663681 0 0 0 0.926424 0.285003842 1 781.7365704 724.2195204 0.926424 755.2677248 215.2542034 0.285003842 0.307638664 0.894073335 3.95E-09 341.9142764 1464.034696 1122.12042 0.706312375 0.708833935 0.828852751 0.709252557 0.82588821 0.926511606 0.841768538 0.53149086 0.844193462 0.529415534 0.926511606 211.2520979 279.6561926 997.4041835 208.0990815 545.1972461 545.4718348 891.9003491 825.7356348 393.4595012 812.5026919 437.5693107 199.3763392 79.39765719 588.4248594 273.4808192 640.4744347 1937.003067 192.3187696 3195.056605 276.4144365 1191.840194 225.9661743 407.7901193 246.9862836 428.8102285 262.7513655 74.98667624 240.6802508 448.155665 2188.72875 194.4360105 1468.856658 378.4621659 387.8210155 127.1716609 425.2185641 1899.368399 190.5543773 345.780797 228.0681853 2587.481428 552.2548156 607.4811571 1563.25165 367.8519117 290.2425468 736.7548289 491.3832784 336.998945 112.4575844 92.48848066 109.3045681 2488.780934 1197.140231 450.8022536 1217.064325 780.7436291 439.3337031 1576.484593 1367.404096 1154.794814 754.6219218 194.9653582 309.650863 307.8864707 2671.290066 172.3648958 97.74350797 277.009604 227.0171798 891.2526318 643.1210233 2303.414255 233.3232126 527.6047419 426.7082176 289.0265021 188.1299777 1341.820407 925.4238044 1078.925942 1776.743129 1127.728861 1024.229778 682.1025449 1068.339587 157.030922 272.598623 325.5303945 1429.367428 925.9358121 486.0901013 454.0343596 561.9589737 414.6322098 712.5817033 1167.667068 300.8289011 277.8918002 374.9333812 194.4360105 792.4581184 1113.014784 196.5380214 341.5767752 661.6471433 2696.880016 782.5080214 1895.839615 2259.661743 935.1279625 155.5488084 165.8528839 901.6045072 476.3859432 469.7994415 375.8155774 276.1274078 2308.007995 729.3977907 1421.218064 232.8997944 544.3150499 0.000207#168.0776#0.055015415#0.77#3-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784##168.0776#0.77#-1.42790983|0.000093#168.0779#0.075015415#0.75#1-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784#100#168.0779#0.75#0.356977458 168.077851 [(M-H)]- 1003 3-Methyl-L-Histidine 169.085126607 C7H11N3O2 JDHILDINMRGULE-LURJTMIESA-N 2724 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.99]; fullscan high no curation splash10-014i-0913000000-2aeb2996f14d743c5f8f +M168T50 M168.0778T0.83 168.077807 168.0767216 168.0784613 0.825015415 0.797831863 1.112226716 0 76 0 76 16 Inf 20.71663681 0 0 0 0.926424 0.285003842 1 781.7365704 724.2195204 0.926424 755.2677248 215.2542034 0.285003842 0.307638664 0.894073335 3.95E-09 341.9142764 1464.034696 1122.12042 0.706312375 0.708833935 0.828852751 0.709252557 0.82588821 0.926511606 0.841768538 0.53149086 0.844193462 0.529415534 0.926511606 211.2520979 279.6561926 997.4041835 208.0990815 545.1972461 545.4718348 891.9003491 825.7356348 393.4595012 812.5026919 437.5693107 199.3763392 79.39765719 588.4248594 273.4808192 640.4744347 1937.003067 192.3187696 3195.056605 276.4144365 1191.840194 225.9661743 407.7901193 246.9862836 428.8102285 262.7513655 74.98667624 240.6802508 448.155665 2188.72875 194.4360105 1468.856658 378.4621659 387.8210155 127.1716609 425.2185641 1899.368399 190.5543773 345.780797 228.0681853 2587.481428 552.2548156 607.4811571 1563.25165 367.8519117 290.2425468 736.7548289 491.3832784 336.998945 112.4575844 92.48848066 109.3045681 2488.780934 1197.140231 450.8022536 1217.064325 780.7436291 439.3337031 1576.484593 1367.404096 1154.794814 754.6219218 194.9653582 309.650863 307.8864707 2671.290066 172.3648958 97.74350797 277.009604 227.0171798 891.2526318 643.1210233 2303.414255 233.3232126 527.6047419 426.7082176 289.0265021 188.1299777 1341.820407 925.4238044 1078.925942 1776.743129 1127.728861 1024.229778 682.1025449 1068.339587 157.030922 272.598623 325.5303945 1429.367428 925.9358121 486.0901013 454.0343596 561.9589737 414.6322098 712.5817033 1167.667068 300.8289011 277.8918002 374.9333812 194.4360105 792.4581184 1113.014784 196.5380214 341.5767752 661.6471433 2696.880016 782.5080214 1895.839615 2259.661743 935.1279625 155.5488084 165.8528839 901.6045072 476.3859432 469.7994415 375.8155774 276.1274078 2308.007995 729.3977907 1421.218064 232.8997944 544.3150499 0.000207#168.0776#0.055015415#0.77#3-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784##168.0776#0.77#-1.42790983|0.000093#168.0779#0.075015415#0.75#1-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784#100#168.0779#0.75#0.356977458 168.077851 [(M-H)]- 1003 3-Methyl-L-Histidine 169.085126607 C7H11N3O2 JDHILDINMRGULE-LURJTMIESA-N 2756 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.78]; fullscan high no curation splash10-014i-0913000000-2aeb2996f14d743c5f8f +M168T50 M168.0778T0.83 168.077807 168.0767216 168.0784613 0.825015415 0.797831863 1.112226716 0 76 0 76 16 Inf 20.71663681 0 0 0 0.926424 0.285003842 1 781.7365704 724.2195204 0.926424 755.2677248 215.2542034 0.285003842 0.307638664 0.894073335 3.95E-09 341.9142764 1464.034696 1122.12042 0.706312375 0.708833935 0.828852751 0.709252557 0.82588821 0.926511606 0.841768538 0.53149086 0.844193462 0.529415534 0.926511606 211.2520979 279.6561926 997.4041835 208.0990815 545.1972461 545.4718348 891.9003491 825.7356348 393.4595012 812.5026919 437.5693107 199.3763392 79.39765719 588.4248594 273.4808192 640.4744347 1937.003067 192.3187696 3195.056605 276.4144365 1191.840194 225.9661743 407.7901193 246.9862836 428.8102285 262.7513655 74.98667624 240.6802508 448.155665 2188.72875 194.4360105 1468.856658 378.4621659 387.8210155 127.1716609 425.2185641 1899.368399 190.5543773 345.780797 228.0681853 2587.481428 552.2548156 607.4811571 1563.25165 367.8519117 290.2425468 736.7548289 491.3832784 336.998945 112.4575844 92.48848066 109.3045681 2488.780934 1197.140231 450.8022536 1217.064325 780.7436291 439.3337031 1576.484593 1367.404096 1154.794814 754.6219218 194.9653582 309.650863 307.8864707 2671.290066 172.3648958 97.74350797 277.009604 227.0171798 891.2526318 643.1210233 2303.414255 233.3232126 527.6047419 426.7082176 289.0265021 188.1299777 1341.820407 925.4238044 1078.925942 1776.743129 1127.728861 1024.229778 682.1025449 1068.339587 157.030922 272.598623 325.5303945 1429.367428 925.9358121 486.0901013 454.0343596 561.9589737 414.6322098 712.5817033 1167.667068 300.8289011 277.8918002 374.9333812 194.4360105 792.4581184 1113.014784 196.5380214 341.5767752 661.6471433 2696.880016 782.5080214 1895.839615 2259.661743 935.1279625 155.5488084 165.8528839 901.6045072 476.3859432 469.7994415 375.8155774 276.1274078 2308.007995 729.3977907 1421.218064 232.8997944 544.3150499 0.000207#168.0776#0.055015415#0.77#3-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784##168.0776#0.77#-1.42790983|0.000093#168.0779#0.075015415#0.75#1-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784#100#168.0779#0.75#0.356977458 168.077851 [(M-H)]- 1896 N(tele)-methyl-L-histidine 169.085126607 C7H11N3O2 BRMWTNUJHUMWMS-LURJTMIESA-N 3076 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.99]; fullscan high no curation splash10-014r-0964000000-f13e3c97f63280d02188 +M168T50 M168.0778T0.83 168.077807 168.0767216 168.0784613 0.825015415 0.797831863 1.112226716 0 76 0 76 16 Inf 20.71663681 0 0 0 0.926424 0.285003842 1 781.7365704 724.2195204 0.926424 755.2677248 215.2542034 0.285003842 0.307638664 0.894073335 3.95E-09 341.9142764 1464.034696 1122.12042 0.706312375 0.708833935 0.828852751 0.709252557 0.82588821 0.926511606 0.841768538 0.53149086 0.844193462 0.529415534 0.926511606 211.2520979 279.6561926 997.4041835 208.0990815 545.1972461 545.4718348 891.9003491 825.7356348 393.4595012 812.5026919 437.5693107 199.3763392 79.39765719 588.4248594 273.4808192 640.4744347 1937.003067 192.3187696 3195.056605 276.4144365 1191.840194 225.9661743 407.7901193 246.9862836 428.8102285 262.7513655 74.98667624 240.6802508 448.155665 2188.72875 194.4360105 1468.856658 378.4621659 387.8210155 127.1716609 425.2185641 1899.368399 190.5543773 345.780797 228.0681853 2587.481428 552.2548156 607.4811571 1563.25165 367.8519117 290.2425468 736.7548289 491.3832784 336.998945 112.4575844 92.48848066 109.3045681 2488.780934 1197.140231 450.8022536 1217.064325 780.7436291 439.3337031 1576.484593 1367.404096 1154.794814 754.6219218 194.9653582 309.650863 307.8864707 2671.290066 172.3648958 97.74350797 277.009604 227.0171798 891.2526318 643.1210233 2303.414255 233.3232126 527.6047419 426.7082176 289.0265021 188.1299777 1341.820407 925.4238044 1078.925942 1776.743129 1127.728861 1024.229778 682.1025449 1068.339587 157.030922 272.598623 325.5303945 1429.367428 925.9358121 486.0901013 454.0343596 561.9589737 414.6322098 712.5817033 1167.667068 300.8289011 277.8918002 374.9333812 194.4360105 792.4581184 1113.014784 196.5380214 341.5767752 661.6471433 2696.880016 782.5080214 1895.839615 2259.661743 935.1279625 155.5488084 165.8528839 901.6045072 476.3859432 469.7994415 375.8155774 276.1274078 2308.007995 729.3977907 1421.218064 232.8997944 544.3150499 0.000207#168.0776#0.055015415#0.77#3-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784##168.0776#0.77#-1.42790983|0.000093#168.0779#0.075015415#0.75#1-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784#100#168.0779#0.75#0.356977458 168.077851 [(M-H)]- 2053 L-Histidine Methyl Ester 169.085126607 C7H11N3O2 BXRMEWOQUXOLDH-LURJTMIESA-N 3204 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.77]; fullscan high no curation splash10-014i-0900000000-e8b0ab5e0426ee5a4788 +M168T50 M168.0778T0.83 168.077807 168.0767216 168.0784613 0.825015415 0.797831863 1.112226716 0 76 0 76 16 Inf 20.71663681 0 0 0 0.926424 0.285003842 1 781.7365704 724.2195204 0.926424 755.2677248 215.2542034 0.285003842 0.307638664 0.894073335 3.95E-09 341.9142764 1464.034696 1122.12042 0.706312375 0.708833935 0.828852751 0.709252557 0.82588821 0.926511606 0.841768538 0.53149086 0.844193462 0.529415534 0.926511606 211.2520979 279.6561926 997.4041835 208.0990815 545.1972461 545.4718348 891.9003491 825.7356348 393.4595012 812.5026919 437.5693107 199.3763392 79.39765719 588.4248594 273.4808192 640.4744347 1937.003067 192.3187696 3195.056605 276.4144365 1191.840194 225.9661743 407.7901193 246.9862836 428.8102285 262.7513655 74.98667624 240.6802508 448.155665 2188.72875 194.4360105 1468.856658 378.4621659 387.8210155 127.1716609 425.2185641 1899.368399 190.5543773 345.780797 228.0681853 2587.481428 552.2548156 607.4811571 1563.25165 367.8519117 290.2425468 736.7548289 491.3832784 336.998945 112.4575844 92.48848066 109.3045681 2488.780934 1197.140231 450.8022536 1217.064325 780.7436291 439.3337031 1576.484593 1367.404096 1154.794814 754.6219218 194.9653582 309.650863 307.8864707 2671.290066 172.3648958 97.74350797 277.009604 227.0171798 891.2526318 643.1210233 2303.414255 233.3232126 527.6047419 426.7082176 289.0265021 188.1299777 1341.820407 925.4238044 1078.925942 1776.743129 1127.728861 1024.229778 682.1025449 1068.339587 157.030922 272.598623 325.5303945 1429.367428 925.9358121 486.0901013 454.0343596 561.9589737 414.6322098 712.5817033 1167.667068 300.8289011 277.8918002 374.9333812 194.4360105 792.4581184 1113.014784 196.5380214 341.5767752 661.6471433 2696.880016 782.5080214 1895.839615 2259.661743 935.1279625 155.5488084 165.8528839 901.6045072 476.3859432 469.7994415 375.8155774 276.1274078 2308.007995 729.3977907 1421.218064 232.8997944 544.3150499 0.000207#168.0776#0.055015415#0.77#3-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784##168.0776#0.77#-1.42790983|0.000093#168.0779#0.075015415#0.75#1-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784#100#168.0779#0.75#0.356977458 168.077851 [(M-H)]- 2053 L-Histidine Methyl Ester 169.085126607 C7H11N3O2 BXRMEWOQUXOLDH-LURJTMIESA-N 3396 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.75]; fullscan high no curation splash10-014i-0900000000-e8b0ab5e0426ee5a4788 +M168T50 M168.0778T0.83 168.077807 168.0767216 168.0784613 0.825015415 0.797831863 1.112226716 0 76 0 76 16 Inf 20.71663681 0 0 0 0.926424 0.285003842 1 781.7365704 724.2195204 0.926424 755.2677248 215.2542034 0.285003842 0.307638664 0.894073335 3.95E-09 341.9142764 1464.034696 1122.12042 0.706312375 0.708833935 0.828852751 0.709252557 0.82588821 0.926511606 0.841768538 0.53149086 0.844193462 0.529415534 0.926511606 211.2520979 279.6561926 997.4041835 208.0990815 545.1972461 545.4718348 891.9003491 825.7356348 393.4595012 812.5026919 437.5693107 199.3763392 79.39765719 588.4248594 273.4808192 640.4744347 1937.003067 192.3187696 3195.056605 276.4144365 1191.840194 225.9661743 407.7901193 246.9862836 428.8102285 262.7513655 74.98667624 240.6802508 448.155665 2188.72875 194.4360105 1468.856658 378.4621659 387.8210155 127.1716609 425.2185641 1899.368399 190.5543773 345.780797 228.0681853 2587.481428 552.2548156 607.4811571 1563.25165 367.8519117 290.2425468 736.7548289 491.3832784 336.998945 112.4575844 92.48848066 109.3045681 2488.780934 1197.140231 450.8022536 1217.064325 780.7436291 439.3337031 1576.484593 1367.404096 1154.794814 754.6219218 194.9653582 309.650863 307.8864707 2671.290066 172.3648958 97.74350797 277.009604 227.0171798 891.2526318 643.1210233 2303.414255 233.3232126 527.6047419 426.7082176 289.0265021 188.1299777 1341.820407 925.4238044 1078.925942 1776.743129 1127.728861 1024.229778 682.1025449 1068.339587 157.030922 272.598623 325.5303945 1429.367428 925.9358121 486.0901013 454.0343596 561.9589737 414.6322098 712.5817033 1167.667068 300.8289011 277.8918002 374.9333812 194.4360105 792.4581184 1113.014784 196.5380214 341.5767752 661.6471433 2696.880016 782.5080214 1895.839615 2259.661743 935.1279625 155.5488084 165.8528839 901.6045072 476.3859432 469.7994415 375.8155774 276.1274078 2308.007995 729.3977907 1421.218064 232.8997944 544.3150499 0.000207#168.0776#0.055015415#0.77#3-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784##168.0776#0.77#-1.42790983|0.000093#168.0779#0.075015415#0.75#1-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784#100#168.0779#0.75#0.356977458 168.079637 [(M-H)]- (15N) 399 Pyridoxamine 168.089877634 C8H12N2O2 NHZMQXZHNVQTQA-UHFFFAOYSA-N 2350 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [12.15]; fullscan high no curation splash10-0udi-0190000000-78bf767441fb69a9b9f5 +M168T50 M168.0778T0.83 168.077807 168.0767216 168.0784613 0.825015415 0.797831863 1.112226716 0 76 0 76 16 Inf 20.71663681 0 0 0 0.926424 0.285003842 1 781.7365704 724.2195204 0.926424 755.2677248 215.2542034 0.285003842 0.307638664 0.894073335 3.95E-09 341.9142764 1464.034696 1122.12042 0.706312375 0.708833935 0.828852751 0.709252557 0.82588821 0.926511606 0.841768538 0.53149086 0.844193462 0.529415534 0.926511606 211.2520979 279.6561926 997.4041835 208.0990815 545.1972461 545.4718348 891.9003491 825.7356348 393.4595012 812.5026919 437.5693107 199.3763392 79.39765719 588.4248594 273.4808192 640.4744347 1937.003067 192.3187696 3195.056605 276.4144365 1191.840194 225.9661743 407.7901193 246.9862836 428.8102285 262.7513655 74.98667624 240.6802508 448.155665 2188.72875 194.4360105 1468.856658 378.4621659 387.8210155 127.1716609 425.2185641 1899.368399 190.5543773 345.780797 228.0681853 2587.481428 552.2548156 607.4811571 1563.25165 367.8519117 290.2425468 736.7548289 491.3832784 336.998945 112.4575844 92.48848066 109.3045681 2488.780934 1197.140231 450.8022536 1217.064325 780.7436291 439.3337031 1576.484593 1367.404096 1154.794814 754.6219218 194.9653582 309.650863 307.8864707 2671.290066 172.3648958 97.74350797 277.009604 227.0171798 891.2526318 643.1210233 2303.414255 233.3232126 527.6047419 426.7082176 289.0265021 188.1299777 1341.820407 925.4238044 1078.925942 1776.743129 1127.728861 1024.229778 682.1025449 1068.339587 157.030922 272.598623 325.5303945 1429.367428 925.9358121 486.0901013 454.0343596 561.9589737 414.6322098 712.5817033 1167.667068 300.8289011 277.8918002 374.9333812 194.4360105 792.4581184 1113.014784 196.5380214 341.5767752 661.6471433 2696.880016 782.5080214 1895.839615 2259.661743 935.1279625 155.5488084 165.8528839 901.6045072 476.3859432 469.7994415 375.8155774 276.1274078 2308.007995 729.3977907 1421.218064 232.8997944 544.3150499 0.000207#168.0776#0.055015415#0.77#3-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784##168.0776#0.77#-1.42790983|0.000093#168.0779#0.075015415#0.75#1-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784#100#168.0779#0.75#0.356977458 168.079637 [(M-H)]- (15N) 399 Pyridoxamine 168.089877634 C8H12N2O2 NHZMQXZHNVQTQA-UHFFFAOYSA-N 2881 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.84]; fullscan high no curation splash10-0udi-0190000000-78bf767441fb69a9b9f5 +M168T50 M168.0778T0.83 168.077807 168.0767216 168.0784613 0.825015415 0.797831863 1.112226716 0 76 0 76 16 Inf 20.71663681 0 0 0 0.926424 0.285003842 1 781.7365704 724.2195204 0.926424 755.2677248 215.2542034 0.285003842 0.307638664 0.894073335 3.95E-09 341.9142764 1464.034696 1122.12042 0.706312375 0.708833935 0.828852751 0.709252557 0.82588821 0.926511606 0.841768538 0.53149086 0.844193462 0.529415534 0.926511606 211.2520979 279.6561926 997.4041835 208.0990815 545.1972461 545.4718348 891.9003491 825.7356348 393.4595012 812.5026919 437.5693107 199.3763392 79.39765719 588.4248594 273.4808192 640.4744347 1937.003067 192.3187696 3195.056605 276.4144365 1191.840194 225.9661743 407.7901193 246.9862836 428.8102285 262.7513655 74.98667624 240.6802508 448.155665 2188.72875 194.4360105 1468.856658 378.4621659 387.8210155 127.1716609 425.2185641 1899.368399 190.5543773 345.780797 228.0681853 2587.481428 552.2548156 607.4811571 1563.25165 367.8519117 290.2425468 736.7548289 491.3832784 336.998945 112.4575844 92.48848066 109.3045681 2488.780934 1197.140231 450.8022536 1217.064325 780.7436291 439.3337031 1576.484593 1367.404096 1154.794814 754.6219218 194.9653582 309.650863 307.8864707 2671.290066 172.3648958 97.74350797 277.009604 227.0171798 891.2526318 643.1210233 2303.414255 233.3232126 527.6047419 426.7082176 289.0265021 188.1299777 1341.820407 925.4238044 1078.925942 1776.743129 1127.728861 1024.229778 682.1025449 1068.339587 157.030922 272.598623 325.5303945 1429.367428 925.9358121 486.0901013 454.0343596 561.9589737 414.6322098 712.5817033 1167.667068 300.8289011 277.8918002 374.9333812 194.4360105 792.4581184 1113.014784 196.5380214 341.5767752 661.6471433 2696.880016 782.5080214 1895.839615 2259.661743 935.1279625 155.5488084 165.8528839 901.6045072 476.3859432 469.7994415 375.8155774 276.1274078 2308.007995 729.3977907 1421.218064 232.8997944 544.3150499 0.000207#168.0776#0.055015415#0.77#3-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784##168.0776#0.77#-1.42790983|0.000093#168.0779#0.075015415#0.75#1-Methyl-L-Histidine#C7H11N3O2#C7H10N3O2#168.07784#100#168.0779#0.75#0.356977458 168.079637 [(M-H)]- (15N) 399 Pyridoxamine 168.089877634 C8H12N2O2 NHZMQXZHNVQTQA-UHFFFAOYSA-N 3607 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.76]; fullscan high no curation splash10-0udi-0190000000-78bf767441fb69a9b9f5 +M169T55 M168.8575T0.91 168.8574564 168.8563875 168.8583403 0.908634704 0.882608587 0.926080972 0 146 0 146 45 103.1140912 22.19274953 0 1 1 0.20602529 0.179068278 1 2425.767956 499.7695465 0.20602529 2225.012772 398.4292048 0.179068278 0.86915678 0.968932667 7.77E-15 1310.905133 3025.416821 1714.511688 0.001226576 0.001348769 0.907981747 0.001000192 0.905542086 0.537439551 0.078631834 0.08055643 0.070626021 0.07396514 0.537439551 2729.57348 2506.093318 2530.235235 1773.985307 3312.513503 2173.639238 2043.743106 2027.316761 1096.468907 1344.920662 3458.345114 2933.53873 1501.921262 3266.318896 2119.53686 2126.300843 2636.788249 2016.01294 2779.322317 2040.702567 2628.110247 2328.72571 1972.05848 2565.409736 2567.374101 2214.235452 2024.015397 2450.821477 2739.839709 2570.491468 2894.872989 2259.742611 3178.927257 2341.395507 2975.156503 3199.519115 2579.712805 2170.831263 2011.293446 1964.356867 2054.6664 1673.985614 1803.359291 1909.701218 2541.204669 2918.954259 2607.216652 1922.47443 2545.029429 2605.42599 2171.555855 2411.006437 2468.556231 2462.461235 2641.665308 2870.632761 2641.615222 1789.548053 2406.47871 3602.344839 1494.111742 2669.739994 2122.091913 1985.450533 3182.065563 1845.23372 2172.057253 2197.491302 2572.842701 2649.982448 3557.021406 3138.763388 1467.366272 2676.119296 2412.549388 2561.216921 2392.314055 2282.36603 2355.182346 2004.52639 2297.93674 2131.021305 1773.978558 2286.633094 2208.532273 2963.091847 2562.582067 2201.196279 3376.002105 2525.92369 2680.117905 1800.749639 2651.538135 2696.588053 1307.68714 2067.049087 2396.211088 2129.759633 2229.219652 1815.732 4126.523179 2388.801778 2662.517837 2755.371024 2250.943127 2904.275542 2304.501525 2431.615493 1681.87711 2181.467927 1899.296602 2077.160813 1821.943676 1635.596354 1661.904431 2807.447877 1875.339786 3394.712961 2260.604185 3017.047252 3802.299024 2568.965821 2533.997479 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M171T54 M170.8544T0.91 170.8544318 170.8476499 170.8556883 0.907824186 0.856731309 0.950746816 0 116 0 116 45 68.81774695 21.6928136 0 1 0 0.331773315 0.268793442 1 910.8070659 302.1814795 0.331773315 845.0901748 227.1546971 0.268793442 0.810171976 0.925519592 9.53E-11 473.1555452 1528.656377 1055.500832 0.20482674 0.202711405 0.828852751 0.205898714 0.82588821 0.898410485 0.327015996 0.820748553 0.321866825 0.819088137 0.898410485 990.0875107 849.085789 885.0940269 738.4160282 954.0289764 900.6488597 419.7727496 477.0144882 1233.877476 655.0998971 744.1426016 1310.199794 499.2751643 1469.204624 527.8960336 810.9246299 1081.733107 1008.090618 1359.502796 952.4617644 928.4026643 997.133374 805.7929947 772.6141147 1134.792906 628.9190226 855.4459821 933.6682805 1291.119215 712.3416357 1088.145953 864.9862719 597.8581585 678.3249743 1315.550758 744.1426016 998.5503286 1017.630908 558.0218102 1063.235795 1023.991101 795.024147 844.8798754 1151.194965 760.7768423 667.8202834 1018.714159 1046.251777 855.4459821 1077.716635 904.4258418 1201.378724 836.7610097 969.9294593 772.7634708 960.3751317 1074.872647 941.30859 391.1518803 483.3746814 858.6260787 929.8359802 588.3178688 505.6353575 1198.896414 874.5265617 1166.300161 610.8398805 979.4697491 1150.101936 1925.25703 995.370232 658.2799937 785.8743007 847.2266812 1065.205712 877.4211556 958.4591128 744.1426016 639.1994142 887.246948 798.2042435 597.9917498 623.2989312 1229.040004 1128.934289 1182.995931 963.5692661 795.024147 878.4203807 1099.080046 861.8061753 976.8890417 785.4838572 772.7634708 791.0534106 1239.686103 785.4838572 1113.033806 804.5644367 1235.741238 1135.935329 834.5029826 993.1430602 786.485174 674.1804766 897.0861168 1262.498345 864.9862719 900.6398975 686.900863 741.6952563 807.7445333 569.2372892 553.3368063 1119.765682 429.3130394 1084.412936 896.8815013 1080.981982 718.7018289 814.1047265 868.1663685 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M173T56 M172.8307T0.93 172.8307218 172.8295622 172.8318276 0.925741667 0.841861714 1.078849641 0 139 0 138 [3M-H+Cl]2- 103.904 48 29.65548059 35.38038531 1.33E-14 0 1 0.297747675 0.16788106 1 529.7787064 157.740378 0.297747675 503.3724934 84.50670772 0.16788106 0.563836678 0.818062229 1.05E-06 366.4627513 757.8089214 391.3461701 0.454406555 0.455665464 0.89678764 0.456717033 0.898456292 0.895228214 0.738597855 0.610518283 0.737406104 0.60997047 0.895228214 374.4758107 483.1387667 443.8609746 371.4147006 492.5035872 2087.677136 456.5679451 577.4204098 576.5230189 592.5566498 581.4825721 489.5429691 434.37074 612.0757291 520.8701079 425.9546507 517.3276186 627.357358 434.6776441 378.5572909 332.6406384 618.3442542 462.2276356 488.757257 343.864709 595.896113 480.1297886 427.5350537 545.9523909 435.5202553 513.2461384 543.8824949 649.8775589 582.6313022 456.1054152 621.4283525 343.1311576 629.0764665 486.7165169 439.7794943 640.1231343 523.5335336 570.3868616 592.5253673 508.1442881 611.9261844 341.8239689 764.772527 917.8300763 644.8738757 606.0998135 585.6924124 470.390596 515.5865451 354.4689369 1383.621797 557.3866333 585.6258805 457.2389304 439.7025218 384.3639769 466.3091158 620.2448412 497.7745852 647.065114 398.196862 402.0258022 534.6739096 475.1707302 578.549822 458.1461554 482.167178 496.9079734 511.2053983 536.7146497 265.2962147 570.3868616 456.1054152 449.5025759 588.9034615 476.692132 621.4091929 499.9813277 527.8892368 664.2609068 577.5347386 394.5250969 485.4005589 718.2886878 440.7998644 552.0202005 337.8802779 480.5942966 699.2970707 472.1971986 526.5109491 458.1461554 372.353836 685.5740891 740.6834038 434.6776441 380.5980311 518.3479887 403.0461723 583.6516723 608.8168284 524.470209 477.335612 525.7627062 549.9794604 464.2279069 803.0312344 399.3901208 656.2126943 738.4870855 434.6776441 386.3105702 443.8418497 417.3313531 404.0665424 576.7900593 486.3719256 678.9002842 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M173T881 M172.9858T14.68 172.9857581 172.9847527 172.9870487 14.6768987 14.46814758 14.91258704 0 132 0 131 [M-H-HCOOH]- 219.992 20 5.706645677 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243.8411969 399.2371538 398.7878989 355.801913 463.5065023 485.0367591 539.3422711 525.8970897 368.1053664 336.1487986 436.0499809 386.1907907 409.5545921 417.5971402 389.6206343 354.8636733 290.4063158 577.5972977 511.7900856 270.4284192 440.9841315 216.9467174 399.029517 463.2529608 455.6592721 392.1496078 428.8606152 410.4200314 572.9969968 670.0468938 404.4866273 429.1476375 539.7730306 411.1625725 336.155891 304.1751896 388.6405626 384.2456313 426.7406171 367.2308668 523.375045 420.799166 309.7577437 460.8649459 281.2288489 279.7789448 618.0569002 351.1507375 433.2456039 283.408465 420.7799212 367.9255351 448.5149116 436.2903712 304.7298639 476.0059815 432.0919692 456.1907706 647.1684109 357.1600213 306.8554025 360.0308772 418.3155251 292.1479002 436.0612014 462.4449056 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M173T933 M172.9859T15.55 172.9858803 172.9846928 172.9870038 15.55190251 15.52616142 15.57203223 0 80 0 80 30 4.12050596 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257.0965339 456.660478 375.5139126 375.9730182 259.2557631 355.5730886 244.2287909 317.9704433 506.0712476 237.0501612 338.1459518 474.1174273 333.0501144 317.2146409 383.9216258 324.2601279 286.8320491 277.4649649 568.9068014 369.8755763 557.3221191 268.2958531 262.2785435 340.4761246 337.8642001 197.7073121 374.1790287 318.3885634 339.0180478 312.9259724 321.4995226 518.2915804 258.126537 305.7659265 341.0232844 345.1004547 274.5162827 280.3613854 518.140038 467.6609374 427.209788 331.2588045 262.9010197 349.1977718 219.3679601 346.0925458 168.8187495 378.6260073 441.9552165 434.7090944 619.865502 240.851375 440.1933548 249.3730206 276.9951085 358.1429057 358.2017581 458.8522658 236.9477891 369.7920349 512.3405411 280.1669863 310.2348059 600.2423639 443.9269584 327.6720985 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M174T55 M174.0884T0.91 174.0884339 174.0879021 174.0887311 0.913374216 0.901399398 0.926083401 0 86 0 86 [M-H]- 175.095 45 Inf 49.34007315 0 1 1 0.338727737 0.109473302 1 7646.330927 2590.024374 0.338727737 6786.306452 742.9193761 0.109473302 0.323189659 0.981323938 3.05E-17 5118.279795 8928.957432 3810.677636 0.638905339 0.639419382 0.828852751 0.629031279 0.82588821 0.358619625 0.859653827 0.53149086 0.854180076 0.508387933 0.358619625 8374.999167 9906.447969 5347.011694 7554.827211 16007.82522 6274.7448 7465.618218 8177.559178 7912.863971 6571.064549 10007.70093 8055.974681 4577.254887 8547.250977 3634.653496 4668.837559 4536.738531 7618.662713 10204.82138 6862.485948 12915.23555 8757.535979 11483.14511 4321.399943 7673.449175 6291.116884 5503.939217 3855.976878 10395.79083 13716.37442 5855.986507 6518.916357 5793.631915 6254.54215 7936.061877 12347.92206 6529.029724 8908.361558 8233.369732 7105.114624 9343.514549 6717.880481 7602.337291 7833.990318 5917.248853 3963.193737 8047.046218 5382.16868 9392.173136 6326.250796 5646.812812 8249.787145 9780.55972 6051.87882 6823.855193 6995.217824 13071.42163 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LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [8.89]; fullscan high no curation splash10-00di-0901000000-81061617583ff0b70211 +M174T55 M174.0884T0.91 174.0884339 174.0879021 174.0887311 0.913374216 0.901399398 0.926083401 0 86 0 86 [M-H]- 175.095 45 Inf 49.34007315 0 1 1 0.338727737 0.109473302 1 7646.330927 2590.024374 0.338727737 6786.306452 742.9193761 0.109473302 0.323189659 0.981323938 3.05E-17 5118.279795 8928.957432 3810.677636 0.638905339 0.639419382 0.828852751 0.629031279 0.82588821 0.358619625 0.859653827 0.53149086 0.854180076 0.508387933 0.358619625 8374.999167 9906.447969 5347.011694 7554.827211 16007.82522 6274.7448 7465.618218 8177.559178 7912.863971 6571.064549 10007.70093 8055.974681 4577.254887 8547.250977 3634.653496 4668.837559 4536.738531 7618.662713 10204.82138 6862.485948 12915.23555 8757.535979 11483.14511 4321.399943 7673.449175 6291.116884 5503.939217 3855.976878 10395.79083 13716.37442 5855.986507 6518.916357 5793.631915 6254.54215 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0.0000339#174.0884#0.043374216#0.87#L-Citrulline#C6H13N3O3#C6H12N3O3#174.08841#93.22#174.0884#0.87#-0.057442078 174.088416 [(M-H)]- 1838 L-citrulline 175.095691291 C6H13N3O3 RHGKLRLOHDJJDR-BYPYZUCNSA-N 3200 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.85]; fullscan high no curation splash10-00di-0921000000-198c8871e5469524eb57 +M174T55 M174.0884T0.91 174.0884339 174.0879021 174.0887311 0.913374216 0.901399398 0.926083401 0 86 0 86 [M-H]- 175.095 45 Inf 49.34007315 0 1 1 0.338727737 0.109473302 1 7646.330927 2590.024374 0.338727737 6786.306452 742.9193761 0.109473302 0.323189659 0.981323938 3.05E-17 5118.279795 8928.957432 3810.677636 0.638905339 0.639419382 0.828852751 0.629031279 0.82588821 0.358619625 0.859653827 0.53149086 0.854180076 0.508387933 0.358619625 8374.999167 9906.447969 5347.011694 7554.827211 16007.82522 6274.7448 7465.618218 8177.559178 7912.863971 6571.064549 10007.70093 8055.974681 4577.254887 8547.250977 3634.653496 4668.837559 4536.738531 7618.662713 10204.82138 6862.485948 12915.23555 8757.535979 11483.14511 4321.399943 7673.449175 6291.116884 5503.939217 3855.976878 10395.79083 13716.37442 5855.986507 6518.916357 5793.631915 6254.54215 7936.061877 12347.92206 6529.029724 8908.361558 8233.369732 7105.114624 9343.514549 6717.880481 7602.337291 7833.990318 5917.248853 3963.193737 8047.046218 5382.16868 9392.173136 6326.250796 5646.812812 8249.787145 9780.55972 6051.87882 6823.855193 6995.217824 13071.42163 5924.823476 6847.146423 5598.827601 8081.255628 5960.94301 10928.60555 5565.893324 10159.01341 12545.44577 6856.456277 5589.874811 6245.326366 7492.081537 8163.925938 7450.682576 8784.099299 7932.81145 6423.193033 7965.990546 6624.4621 6386.439369 8849.409369 8934.970822 15296.16186 11868.14023 6322.017709 5140.981651 5785.030075 9873.319723 5171.909345 8626.889166 6349.152898 7707.451072 7057.982838 7941.877165 8504.666693 8617.850612 4173.884679 8648.335958 5375.883565 6251.503531 8099.950092 6347.116873 5689.320049 5563.0404 5541.908806 5212.180659 9432.15159 6987.013307 10071.46556 10647.65872 9502.823081 6229.217868 9025.547348 7725.970558 10416.65713 5641.203954 6549.82648 7747.06396 5702.044752 13961.97529 4574.767793 8020.003523 14249.66436 7431.323577 3962.66638 0.0000339#174.0884#0.043374216#0.87#L-Citrulline#C6H13N3O3#C6H12N3O3#174.08841#93.22#174.0884#0.87#-0.057442078 174.090202 [(M-H)]- (15N) 1253 N(2)-acetyl-L-ornithine 174.100442318 C7H14N2O3 JRLGPAXAGHMNOL-LURJTMIESA-N 934 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [3.65]; fullscan high no curation splash10-00di-0914000000-633732e2befb3394e02b +M174T55 M174.0884T0.91 174.0884339 174.0879021 174.0887311 0.913374216 0.901399398 0.926083401 0 86 0 86 [M-H]- 175.095 45 Inf 49.34007315 0 1 1 0.338727737 0.109473302 1 7646.330927 2590.024374 0.338727737 6786.306452 742.9193761 0.109473302 0.323189659 0.981323938 3.05E-17 5118.279795 8928.957432 3810.677636 0.638905339 0.639419382 0.828852751 0.629031279 0.82588821 0.358619625 0.859653827 0.53149086 0.854180076 0.508387933 0.358619625 8374.999167 9906.447969 5347.011694 7554.827211 16007.82522 6274.7448 7465.618218 8177.559178 7912.863971 6571.064549 10007.70093 8055.974681 4577.254887 8547.250977 3634.653496 4668.837559 4536.738531 7618.662713 10204.82138 6862.485948 12915.23555 8757.535979 11483.14511 4321.399943 7673.449175 6291.116884 5503.939217 3855.976878 10395.79083 13716.37442 5855.986507 6518.916357 5793.631915 6254.54215 7936.061877 12347.92206 6529.029724 8908.361558 8233.369732 7105.114624 9343.514549 6717.880481 7602.337291 7833.990318 5917.248853 3963.193737 8047.046218 5382.16868 9392.173136 6326.250796 5646.812812 8249.787145 9780.55972 6051.87882 6823.855193 6995.217824 13071.42163 5924.823476 6847.146423 5598.827601 8081.255628 5960.94301 10928.60555 5565.893324 10159.01341 12545.44577 6856.456277 5589.874811 6245.326366 7492.081537 8163.925938 7450.682576 8784.099299 7932.81145 6423.193033 7965.990546 6624.4621 6386.439369 8849.409369 8934.970822 15296.16186 11868.14023 6322.017709 5140.981651 5785.030075 9873.319723 5171.909345 8626.889166 6349.152898 7707.451072 7057.982838 7941.877165 8504.666693 8617.850612 4173.884679 8648.335958 5375.883565 6251.503531 8099.950092 6347.116873 5689.320049 5563.0404 5541.908806 5212.180659 9432.15159 6987.013307 10071.46556 10647.65872 9502.823081 6229.217868 9025.547348 7725.970558 10416.65713 5641.203954 6549.82648 7747.06396 5702.044752 13961.97529 4574.767793 8020.003523 14249.66436 7431.323577 3962.66638 0.0000339#174.0884#0.043374216#0.87#L-Citrulline#C6H13N3O3#C6H12N3O3#174.08841#93.22#174.0884#0.87#-0.057442078 174.090202 [(M-H)]- (15N) 1253 N(2)-acetyl-L-ornithine 174.100442318 C7H14N2O3 JRLGPAXAGHMNOL-LURJTMIESA-N 1108 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.92]; fullscan high no curation splash10-00di-0914000000-633732e2befb3394e02b +M174T55 M174.0884T0.91 174.0884339 174.0879021 174.0887311 0.913374216 0.901399398 0.926083401 0 86 0 86 [M-H]- 175.095 45 Inf 49.34007315 0 1 1 0.338727737 0.109473302 1 7646.330927 2590.024374 0.338727737 6786.306452 742.9193761 0.109473302 0.323189659 0.981323938 3.05E-17 5118.279795 8928.957432 3810.677636 0.638905339 0.639419382 0.828852751 0.629031279 0.82588821 0.358619625 0.859653827 0.53149086 0.854180076 0.508387933 0.358619625 8374.999167 9906.447969 5347.011694 7554.827211 16007.82522 6274.7448 7465.618218 8177.559178 7912.863971 6571.064549 10007.70093 8055.974681 4577.254887 8547.250977 3634.653496 4668.837559 4536.738531 7618.662713 10204.82138 6862.485948 12915.23555 8757.535979 11483.14511 4321.399943 7673.449175 6291.116884 5503.939217 3855.976878 10395.79083 13716.37442 5855.986507 6518.916357 5793.631915 6254.54215 7936.061877 12347.92206 6529.029724 8908.361558 8233.369732 7105.114624 9343.514549 6717.880481 7602.337291 7833.990318 5917.248853 3963.193737 8047.046218 5382.16868 9392.173136 6326.250796 5646.812812 8249.787145 9780.55972 6051.87882 6823.855193 6995.217824 13071.42163 5924.823476 6847.146423 5598.827601 8081.255628 5960.94301 10928.60555 5565.893324 10159.01341 12545.44577 6856.456277 5589.874811 6245.326366 7492.081537 8163.925938 7450.682576 8784.099299 7932.81145 6423.193033 7965.990546 6624.4621 6386.439369 8849.409369 8934.970822 15296.16186 11868.14023 6322.017709 5140.981651 5785.030075 9873.319723 5171.909345 8626.889166 6349.152898 7707.451072 7057.982838 7941.877165 8504.666693 8617.850612 4173.884679 8648.335958 5375.883565 6251.503531 8099.950092 6347.116873 5689.320049 5563.0404 5541.908806 5212.180659 9432.15159 6987.013307 10071.46556 10647.65872 9502.823081 6229.217868 9025.547348 7725.970558 10416.65713 5641.203954 6549.82648 7747.06396 5702.044752 13961.97529 4574.767793 8020.003523 14249.66436 7431.323577 3962.66638 0.0000339#174.0884#0.043374216#0.87#L-Citrulline#C6H13N3O3#C6H12N3O3#174.08841#93.22#174.0884#0.87#-0.057442078 174.090202 [(M-H)]- (15N) 1253 N(2)-acetyl-L-ornithine 174.100442318 C7H14N2O3 JRLGPAXAGHMNOL-LURJTMIESA-N 1214 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.91]; fullscan high no curation splash10-00di-0914000000-633732e2befb3394e02b +M174T55 M174.0884T0.91 174.0884339 174.0879021 174.0887311 0.913374216 0.901399398 0.926083401 0 86 0 86 [M-H]- 175.095 45 Inf 49.34007315 0 1 1 0.338727737 0.109473302 1 7646.330927 2590.024374 0.338727737 6786.306452 742.9193761 0.109473302 0.323189659 0.981323938 3.05E-17 5118.279795 8928.957432 3810.677636 0.638905339 0.639419382 0.828852751 0.629031279 0.82588821 0.358619625 0.859653827 0.53149086 0.854180076 0.508387933 0.358619625 8374.999167 9906.447969 5347.011694 7554.827211 16007.82522 6274.7448 7465.618218 8177.559178 7912.863971 6571.064549 10007.70093 8055.974681 4577.254887 8547.250977 3634.653496 4668.837559 4536.738531 7618.662713 10204.82138 6862.485948 12915.23555 8757.535979 11483.14511 4321.399943 7673.449175 6291.116884 5503.939217 3855.976878 10395.79083 13716.37442 5855.986507 6518.916357 5793.631915 6254.54215 7936.061877 12347.92206 6529.029724 8908.361558 8233.369732 7105.114624 9343.514549 6717.880481 7602.337291 7833.990318 5917.248853 3963.193737 8047.046218 5382.16868 9392.173136 6326.250796 5646.812812 8249.787145 9780.55972 6051.87882 6823.855193 6995.217824 13071.42163 5924.823476 6847.146423 5598.827601 8081.255628 5960.94301 10928.60555 5565.893324 10159.01341 12545.44577 6856.456277 5589.874811 6245.326366 7492.081537 8163.925938 7450.682576 8784.099299 7932.81145 6423.193033 7965.990546 6624.4621 6386.439369 8849.409369 8934.970822 15296.16186 11868.14023 6322.017709 5140.981651 5785.030075 9873.319723 5171.909345 8626.889166 6349.152898 7707.451072 7057.982838 7941.877165 8504.666693 8617.850612 4173.884679 8648.335958 5375.883565 6251.503531 8099.950092 6347.116873 5689.320049 5563.0404 5541.908806 5212.180659 9432.15159 6987.013307 10071.46556 10647.65872 9502.823081 6229.217868 9025.547348 7725.970558 10416.65713 5641.203954 6549.82648 7747.06396 5702.044752 13961.97529 4574.767793 8020.003523 14249.66436 7431.323577 3962.66638 0.0000339#174.0884#0.043374216#0.87#L-Citrulline#C6H13N3O3#C6H12N3O3#174.08841#93.22#174.0884#0.87#-0.057442078 174.090202 [(M-H)]- (15N) 1253 N(2)-acetyl-L-ornithine 174.100442318 C7H14N2O3 JRLGPAXAGHMNOL-LURJTMIESA-N 3386 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [3.75]; fullscan high no curation splash10-00di-0914000000-633732e2befb3394e02b +M175T880 M174.9561T14.67 174.9560974 174.9554265 174.9567768 14.671189 14.64930687 14.69054577 0 336 0 336 [20][M]- [M-H+HCOOH]- 129.966 20 5.184752627 100.3786958 0 0 1 0.069710059 0.048980165 1 9060.060065 631.5773203 0.069710059 9015.464334 441.5789311 0.048980165 0.702626936 0.842919034 2.35E-07 8255.204944 10086.64703 1831.442081 0.870450776 0.871385713 0.864302739 0.868402233 0.867627357 0.897437208 0.846628184 0.703262774 0.845821483 0.701953625 0.897437208 9498.026478 9609.500495 9320.54736 10184.7935 9189.092674 8812.224018 8869.543829 8486.921777 8969.520077 8506.433517 8577.869492 9074.726743 8509.924645 9449.060389 9874.181796 8543.549362 9242.417966 8930.65876 8439.903695 8945.333356 8799.684732 8325.121005 10308.25723 9543.360818 9174.898737 9900.248174 8734.272544 9783.536363 9140.869944 9580.011102 8480.415233 8080.491533 8444.674514 9418.932523 9201.906428 8411.166157 10096.79846 9648.684884 9163.324012 9451.727578 9567.061584 9298.564361 9611.844608 9876.203418 8727.342701 8620.300418 8916.396543 8739.959033 9263.839778 9512.494884 8842.125391 9119.918793 9728.556419 8457.248065 8810.379669 9713.123452 8959.618082 8542.228515 7412.074119 8494.802753 8680.320327 8824.763303 9050.715152 9094.452869 8342.289955 8704.144615 8437.010014 9636.923179 8965.76291 10433.65009 9167.182253 8842.565833 8676.298954 8897.105335 9066.867969 8821.869622 9044.68308 9609.915487 8935.311459 9596.076639 9192.410989 8747.372001 9446.904776 9138.813636 9184.544341 9444.366269 9038.545715 9148.522778 9271.064336 10301.50531 9279.071262 8719.158161 9003.206981 9193.847951 8787.126019 8905.786379 9590.624279 8967.946595 9128.949099 8689.841543 8559.509187 8336.69573 9185.508901 8962.695444 9177.792418 8669.548232 10004.4207 7978.515707 8835.077938 9638.8523 8966.936321 8699.370448 8314.384113 8010.763031 8736.55656 8069.512493 8425.870225 7981.566958 9195.154505 9052.399563 8907.392526 7680.91315 9286.966673 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M175T56 M175.0724T0.94 175.0724447 175.0714287 175.0730931 0.935954084 0.90685323 0.947161471 0 108 0 108 845 Inf 43.6059944 0 1 1 0.375662993 0.210501655 1 2169.217676 814.8948048 0.375662993 1942.272227 408.8515175 0.210501655 0.560347062 0.976785047 3.27E-16 934.64896 2861.412828 1926.763868 0.688159376 0.689524815 0.907981747 0.686325257 0.905542086 0.877941452 0.745015672 0.949139883 0.742666323 0.949936104 0.877941452 1526.262819 3623.874893 987.0166217 1615.439567 3387.013294 1033.19085 2226.033275 2050.293279 1044.52809 1626.747192 774.2487226 2113.016515 1553.269228 2330.21902 886.589903 792.5819298 1738.697402 1355.017533 1160.584515 2503.436778 2653.922903 1822.147808 2043.282903 845.8130227 2392.301698 2340.321253 2831.50719 1899.65491 2041.438154 2836.238311 2376.450958 2985.855012 2671.10528 1721.255236 2349.504699 2312.61593 924.4990713 3221.557348 2384.768126 1351.611283 2350.649862 4171.093953 2054.604307 3362.358779 1633.175948 1866.866589 922.3987091 2969.111254 2046.423078 3487.309977 1000.032186 2881.576464 2361.215827 1491.234517 2799.742218 1515.860763 3220.880115 2595.310951 1870.189876 1570.148394 3331.506049 2440.444114 1257.901576 2004.503085 3138.846176 2919.42854 1369.340381 497.562321 2324.664216 4585.934661 730.5947158 3602.216745 2474.814153 2009.1082 2517.680897 1869.215228 1239.492982 2001.17223 1181.611745 1172.813842 1198.021458 1490.213709 1954.679519 1866.162777 3253.381749 2687.667002 1517.275907 1397.893951 1975.042581 1684.487228 1579.401194 1008.80979 684.1009173 2440.799923 1302.472779 2490.856057 1523.160621 1334.651733 1209.172895 3270.704535 2035.783923 808.6393898 2019.055023 1881.953779 1895.648211 2870.666616 1751.782267 2719.585482 2530.669947 2939.025337 1840.880947 3127.729957 2395.590825 2413.149291 2575.471534 1653.781965 2440.45689 2035.017018 1662.801744 2768.725482 1631.217362 1512.670978 1795.528303 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M176T45 M175.9684T0.75 175.9684358 175.9592753 175.9695901 0.74551907 0.720388126 0.790418939 0 70 0 70 1016 Inf 45.01142354 0 1 0 0.370240304 0.290493453 1 434.5995554 160.9062716 0.370240304 424.8420978 123.4138478 0.290493453 0.784607859 0.741187196 3.42E-05 207.1125791 693.7922843 486.6797053 0.435247538 0.437791455 0.965227664 0.43998644 0.96610102 0.924056199 0.803335144 0.699823706 0.804047976 0.701953625 0.924056199 298.8491007 317.4523192 582.5855843 452.2171778 381.6064464 764.1407619 503.278067 377.1820238 391.5613972 374.9698126 307.4973684 1208.973466 487.792588 603.9336804 702.3770825 161.4914237 700.6221609 534.249025 182.3204129 322.4126983 234.2118864 357.1411426 508.0775968 172.1993358 376.4061392 521.2441784 759.8945759 267.3854781 347.3171715 564.1138773 341.9781097 470.0948977 793.0777451 385.970197 502.5203498 341.7866433 248.8737694 570.7505111 483.7692877 472.1875542 443.5483623 407.0468762 505.7059519 456.82163 361.3571848 621.6313707 577.137145 679.148864 1111.63617 184.4801279 444.5510507 154.4505504 641.0267301 764.3189985 373.8637069 573.2650854 282.0569386 432.4873059 188.0379591 402.6224536 269.8897766 357.1943841 251.0859807 460.139947 339.574432 527.6123911 435.8043667 360.714268 379.3942351 430.2114684 417.1220382 541.9917645 557.4772434 297.5433726 502.7524127 357.6490665 376.2924784 455.9180866 326.3011643 343.9988546 245.5554525 381.6064464 420.402932 717.8625615 468.2985118 429.168989 651.496223 340.6805377 502.1719614 609.3765408 462.7212872 527.6123911 182.9934609 206.841755 402.6224536 672.590976 529.7838072 363.9087561 492.2170106 565.2199829 453.8658455 433.6923992 572.9483738 477.3636286 184.5636442 447.9727849 229.065537 504.3841726 716.7564559 392.7997789 328.5133756 377.4993159 140.4754165 491.1109049 216.7967058 367.0418382 586.2359901 318.5584248 614.2324123 592.740314 515.4452291 478.9437429 305.2851571 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M179T56 M178.8578T0.93 178.8578493 178.8570104 178.8586556 0.925741667 0.908488847 0.946515815 0 110 0 110 [M-H+HCOOH]- 133.864 [M-H+NH3]- 162.839 [M-H]- 179.864 48 Inf 56.14678748 0 1 1 0.249747201 0.236240128 1 640.573802 159.9815142 0.249747201 639.625091 151.1051134 0.236240128 0.945917019 0.873175224 2.59E-08 348.0003666 966.4563172 618.4559506 0.003295286 0.003182463 0.812332331 0.003512073 0.810685871 0.996694631 0.019608827 0.329174737 0.020691996 0.337850584 0.996694631 437.8208458 615.6804696 616.4374117 432.3569339 532.8567783 634.6185975 497.6790017 530.2446568 666.9534548 491.3025277 682.2248324 662.0207171 684.7467657 569.4681581 710.5588783 692.4089659 755.2674965 712.6468932 687.7934255 420.2117962 421.3801839 799.2350456 482.5622281 645.942009 1098.552303 748.3811357 759.9240376 437.9750802 622.8165304 741.8445283 746.1993624 588.7434855 582.1999633 618.6907449 667.7711437 671.8753899 613.4590315 490.2346818 536.7800393 426.1425623 698.9364196 536.2840497 624.4309592 742.3968187 606.6923463 774.3917839 726.7380463 571.7581418 1004.059604 850.0762104 755.7391088 607.8990336 741.4810768 307.6946856 762.5548149 739.4707246 666.3922136 722.7442897 632.0661661 578.7345136 703.6995842 815.3675753 631.8407485 613.3455637 665.5648343 774.7750915 517.2878986 498.6350321 443.1287118 530.749669 829.5928451 1059.131453 556.3655956 618.5463725 630.0819412 510.7746242 518.7314263 635.5994173 418.1000538 1275.261105 730.5397404 618.8830448 540.1101169 466.5321004 873.0095585 559.9364865 549.3587496 557.4547405 573.6333682 811.1853428 519.5474214 613.4503084 765.0728881 736.1291182 707.4633671 737.5735261 522.6849013 561.1642642 921.8304353 640.99725 989.657101 468.769663 616.6758415 653.6057204 509.3158004 696.2438898 623.3619262 492.7156761 409.5111452 559.5111916 450.8177737 350.3094957 262.5048199 596.4777115 735.4166832 983.0691981 526.4667095 766.9682999 814.6266205 705.20417 735.4201629 582.7838335 889.1609914 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.054323 [(M-H)]- (13C) 242 Hippuric acid 179.058243153 C9H9NO3 QIAFMBKCNZACKA-UHFFFAOYSA-N 1005 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [5.03]; fullscan high no curation splash10-004i-0902000000-92669f40528891a829b2 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.054323 [(M-H)]- (13C) 561 4-oxo-4-(pyridin-3-yl)butanoic acid 179.058243153 C9H9NO3 JGSUNMCABQUBOY-UHFFFAOYSA-N 1352 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.73]; fullscan high no curation splash10-0059-0900000000-0556e77390409b49b2cd +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.054323 [(M-H)]- (13C) 561 4-oxo-4-(pyridin-3-yl)butanoic acid 179.058243153 C9H9NO3 JGSUNMCABQUBOY-UHFFFAOYSA-N 2010 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [4.55]; fullscan high no curation splash10-0059-0900000000-0556e77390409b49b2cd +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.054323 [(M-H)]- (13C) 242 Hippuric acid 179.058243153 C9H9NO3 QIAFMBKCNZACKA-UHFFFAOYSA-N 2027 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [5.87]; fullscan high no curation splash10-004i-0902000000-92669f40528891a829b2 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.054323 [(M-H)]- (13C) 561 4-oxo-4-(pyridin-3-yl)butanoic acid 179.058243153 C9H9NO3 JGSUNMCABQUBOY-UHFFFAOYSA-N 3385 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [2.17]; fullscan high no curation splash10-0059-0900000000-0556e77390409b49b2cd +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.05611 [(M-H)-(C12H20O10)]- 1144 Raffinose 504.169034944 C18H32O16 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 1572 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.84]; fullscan high no curation splash10-0002-0000092000-baf400543393df5230c4 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.05611 [(M-H)-(C12H20O10)]- 1144 Raffinose 504.169034944 C18H32O16 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 1754 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.67]; fullscan high no curation splash10-0002-0000092000-baf400543393df5230c4 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.05611 [(M-H)]- 1879 D-Glucose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N 2529 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.65]; fullscan high no curation splash10-004i-0690000000-c3e4b18676598cbf268f +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.05611 [(M-H)]- 1879 D-Glucose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N 2647 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.93]; fullscan high no curation splash10-004i-0690000000-c3e4b18676598cbf268f +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.05611 [(M-H)-(C12H20O10)]- 1144 Raffinose 504.169034944 C18H32O16 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 3075 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.55]; fullscan high no curation splash10-0002-0000092000-baf400543393df5230c4 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.05611 [(M-H)]- 1879 D-Glucose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N 3085 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.71]; fullscan high no curation splash10-004i-0690000000-c3e4b18676598cbf268f +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.05611 [(M-H)-(C12H20O10)]- 1144 Raffinose 504.169034944 C18H32O16 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 3097 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.0]; fullscan high no curation splash10-0002-0000092000-baf400543393df5230c4 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.05611 [(M-H)]- 1879 D-Glucose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-GASJEMHNSA-N 3327 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.98]; fullscan high no curation splash10-004i-0690000000-c3e4b18676598cbf268f +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(2M-H)-2(C2H4O2)]- 1160 D-(-)-Ribose 150.05282342 C5H10O5 HMFHBZSHGGEWLO-SOOFDHNKSA-N 820 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.71]; fullscan high no curation splash10-0002-1900000000-9b213be273c27af7d445 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1137 Myo-Inositol 180.063388104 C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N 839 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.83]; fullscan high no curation splash10-004i-0190000000-110084d49973c3a5d455 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1129 Sucrose 342.116211524 C12H22O11 CZMRCDWAGMRECN-UGDNZRGBSA-N 917 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.7]; fullscan high no curation splash10-000i-0009000000-a15806392f29941249e6 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1165 Melibiose 342.116211524 C12H22O11 DLRVVLDZNNYCBX-ABXHMFFYSA-N 966 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.59]; fullscan high no curation splash10-000i-0009100000-47a2ae38015722afaa67 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(HPO3)]- 2075 D-Fructose 6-phosphate 260.029718626 C6H13O9P BGWGXPAPYGQALX-VRPWFDPXSA-N 1000 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.94]; fullscan high no curation splash10-0a4i-0091000000-6ee73d0c75deefdc3430 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(HPO3)]- 2075 D-Fructose 6-phosphate 260.029718626 C6H13O9P BGWGXPAPYGQALX-VRPWFDPXSA-N 1055 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.87]; fullscan high no curation splash10-0a4i-0091000000-6ee73d0c75deefdc3430 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1143 D-Fructose 180.063388104 C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N 1230 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.98]; fullscan high no curation splash10-004i-2950000000-5039fb1040b5ff09ac79 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1137 Myo-Inositol 180.063388104 C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N 1303 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.62]; fullscan high no curation splash10-004i-0190000000-110084d49973c3a5d455 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1163 Isomaltose 342.116211524 C12H22O11 DLRVVLDZNNYCBX-RTPHMHGBSA-N 1361 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.92]; fullscan high no curation splash10-000i-0009100000-997e781485d8610975fe +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1164 Lactulose 342.116211524 C12H22O11 JCQLYHFGKNRPGE-FCVZTGTOSA-N 1437 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.95]; fullscan high no curation splash10-000i-0109100000-bcbef5ee809cf7dbc41b +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1881 D-Mannose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N 1485 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.91]; fullscan high no curation splash10-004i-1960000000-4de452bf1662cb8ed1f2 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1137 Myo-Inositol 180.063388104 C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N 1495 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.62]; fullscan high no curation splash10-004i-0190000000-110084d49973c3a5d455 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1137 Myo-Inositol 180.063388104 C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N 1581 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.85]; fullscan high no curation splash10-004i-0190000000-110084d49973c3a5d455 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)+(HCOOH)]- 1158 2-Deoxy-D-ribose 134.0579088 C5H10O4 ASJSAQIRZKANQN-CRCLSJGQSA-N 1591 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.72]; fullscan high no curation splash10-004i-2900000000-b6c87a4c0b1a56a7b513 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(HPO3)]- 1130 D-Glucose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-GASJEMHNSA-N 1692 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.14]; fullscan high no curation splash10-0a4i-1091000000-5c993d839d16918ad2fc +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1165 Melibiose 342.116211524 C12H22O11 DLRVVLDZNNYCBX-ABXHMFFYSA-N 1713 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.64]; fullscan high no curation splash10-000i-0009100000-47a2ae38015722afaa67 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1882 Allose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-IVMDWMLBSA-N 1740 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.92]; fullscan high no curation splash10-004i-2970000000-d26bf81db0d0a4b45bde +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1143 D-Fructose 180.063388104 C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N 1750 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.71]; fullscan high no curation splash10-004i-2950000000-5039fb1040b5ff09ac79 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1165 Melibiose 342.116211524 C12H22O11 DLRVVLDZNNYCBX-ABXHMFFYSA-N 1782 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.9]; fullscan high no curation splash10-000i-0009100000-47a2ae38015722afaa67 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(HPO3)]- 1130 D-Glucose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-GASJEMHNSA-N 1825 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.28]; fullscan high no curation splash10-0a4i-1091000000-5c993d839d16918ad2fc +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1163 Isomaltose 342.116211524 C12H22O11 DLRVVLDZNNYCBX-RTPHMHGBSA-N 1893 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.66]; fullscan high no curation splash10-000i-0009100000-997e781485d8610975fe +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(H2)]- 1138 Sorbitol 182.079038168 C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N 1948 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.67]; fullscan high no curation splash10-003r-1960000000-de716dc64587248e13d9 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(H2)]- 1138 Sorbitol 182.079038168 C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N 1980 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.9]; fullscan high no curation splash10-003r-1960000000-de716dc64587248e13d9 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1164 Lactulose 342.116211524 C12H22O11 JCQLYHFGKNRPGE-FCVZTGTOSA-N 2000 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.9]; fullscan high no curation splash10-000i-0109100000-bcbef5ee809cf7dbc41b +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(2M-H)-2(C2H4O2)]- 1160 D-(-)-Ribose 150.05282342 C5H10O5 HMFHBZSHGGEWLO-SOOFDHNKSA-N 2014 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.91]; fullscan high no curation splash10-0002-1900000000-9b213be273c27af7d445 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1880 D-Galactose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-PHYPRBDBSA-N 2025 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.66]; fullscan high no curation splash10-004i-2890000000-6264130777d956bd9378 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(HPO3)]- 2075 D-Fructose 6-phosphate 260.029718626 C6H13O9P BGWGXPAPYGQALX-VRPWFDPXSA-N 2144 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.2]; fullscan high no curation splash10-0a4i-0091000000-6ee73d0c75deefdc3430 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1159 maltose 342.116211524 C12H22O11 GUBGYTABKSRVRQ-PICCSMPSSA-N 2156 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.91]; fullscan high no curation splash10-000i-0109100000-29ffa80356ddfa4afe8a +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1881 D-Mannose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N 2242 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.68]; fullscan high no curation splash10-004i-1960000000-4de452bf1662cb8ed1f2 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1882 Allose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-IVMDWMLBSA-N 2284 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.66]; fullscan high no curation splash10-004i-2970000000-d26bf81db0d0a4b45bde +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1880 D-Galactose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-PHYPRBDBSA-N 2315 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.67]; fullscan high no curation splash10-004i-2890000000-6264130777d956bd9378 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1165 Melibiose 342.116211524 C12H22O11 DLRVVLDZNNYCBX-ABXHMFFYSA-N 2347 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.9]; fullscan high no curation splash10-000i-0009100000-47a2ae38015722afaa67 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(HPO3)]- 1328 D-mannopyranose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-QTVWNMPRSA-N 2431 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.22]; fullscan high no curation splash10-0a4i-0091000000-f98f90f1719408821d56 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)+(HCOOH)]- 1158 2-Deoxy-D-ribose 134.0579088 C5H10O4 ASJSAQIRZKANQN-CRCLSJGQSA-N 2446 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.77]; fullscan high no curation splash10-004i-2900000000-b6c87a4c0b1a56a7b513 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(H2)]- 1138 Sorbitol 182.079038168 C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N 2522 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.9]; fullscan high no curation splash10-003r-1960000000-de716dc64587248e13d9 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(HPO3)]- 1214 alpha-D-glucose 1-phosphate 260.029718626 C6H13O9P HXXFSFRBOHSIMQ-VFUOTHLCSA-N 2533 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.26]; fullscan high no curation splash10-0a4i-2090000000-bf74d255f32411040eaa +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(2M-H)-2(C2H4O2)]- 1160 D-(-)-Ribose 150.05282342 C5H10O5 HMFHBZSHGGEWLO-SOOFDHNKSA-N 2575 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.95]; fullscan high no curation splash10-0002-1900000000-9b213be273c27af7d445 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(HPO3)]- 1328 D-mannopyranose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-QTVWNMPRSA-N 2577 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.82]; fullscan high no curation splash10-0a4i-0091000000-f98f90f1719408821d56 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1163 Isomaltose 342.116211524 C12H22O11 DLRVVLDZNNYCBX-RTPHMHGBSA-N 2636 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.89]; fullscan high no curation splash10-000i-0009100000-997e781485d8610975fe +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1159 maltose 342.116211524 C12H22O11 GUBGYTABKSRVRQ-PICCSMPSSA-N 2705 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.78]; fullscan high no curation splash10-000i-0109100000-29ffa80356ddfa4afe8a +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1129 Sucrose 342.116211524 C12H22O11 CZMRCDWAGMRECN-UGDNZRGBSA-N 2723 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.62]; fullscan high no curation splash10-000i-0009000000-a15806392f29941249e6 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(HPO3)]- 2075 D-Fructose 6-phosphate 260.029718626 C6H13O9P BGWGXPAPYGQALX-VRPWFDPXSA-N 2729 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.28]; fullscan high no curation splash10-0a4i-0091000000-6ee73d0c75deefdc3430 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1163 Isomaltose 342.116211524 C12H22O11 DLRVVLDZNNYCBX-RTPHMHGBSA-N 2760 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.61]; fullscan high no curation splash10-000i-0009100000-997e781485d8610975fe +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(HPO3)]- 1214 alpha-D-glucose 1-phosphate 260.029718626 C6H13O9P HXXFSFRBOHSIMQ-VFUOTHLCSA-N 2857 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.87]; fullscan high no curation splash10-0a4i-2090000000-bf74d255f32411040eaa +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)+(HCOOH)]- 1158 2-Deoxy-D-ribose 134.0579088 C5H10O4 ASJSAQIRZKANQN-CRCLSJGQSA-N 3057 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.97]; fullscan high no curation splash10-004i-2900000000-b6c87a4c0b1a56a7b513 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1164 Lactulose 342.116211524 C12H22O11 JCQLYHFGKNRPGE-FCVZTGTOSA-N 3110 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.63]; fullscan high no curation splash10-000i-0109100000-bcbef5ee809cf7dbc41b +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1880 D-Galactose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-PHYPRBDBSA-N 3126 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.9]; fullscan high no curation splash10-004i-2890000000-6264130777d956bd9378 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1159 maltose 342.116211524 C12H22O11 GUBGYTABKSRVRQ-PICCSMPSSA-N 3133 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.91]; fullscan high no curation splash10-000i-0109100000-29ffa80356ddfa4afe8a +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1129 Sucrose 342.116211524 C12H22O11 CZMRCDWAGMRECN-UGDNZRGBSA-N 3206 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.88]; fullscan high no curation splash10-000i-0009000000-a15806392f29941249e6 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(HPO3)]- 1328 D-mannopyranose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-QTVWNMPRSA-N 3217 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.81]; fullscan high no curation splash10-0a4i-0091000000-f98f90f1719408821d56 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1881 D-Mannose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N 3235 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.62]; fullscan high no curation splash10-004i-1960000000-4de452bf1662cb8ed1f2 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(HPO3)]- 1130 D-Glucose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-GASJEMHNSA-N 3257 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.19]; fullscan high no curation splash10-0a4i-1091000000-5c993d839d16918ad2fc +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(H2)]- 1138 Sorbitol 182.079038168 C6H14O6 FBPFZTCFMRRESA-JGWLITMVSA-N 3289 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.62]; fullscan high no curation splash10-003r-1960000000-de716dc64587248e13d9 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1882 Allose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-IVMDWMLBSA-N 3295 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.77]; fullscan high no curation splash10-004i-2970000000-d26bf81db0d0a4b45bde +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(HPO3)]- 1130 D-Glucose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-GASJEMHNSA-N 3305 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.9]; fullscan high no curation splash10-0a4i-1091000000-5c993d839d16918ad2fc +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(HPO3)]- 1328 D-mannopyranose 6-phosphate 260.029718626 C6H13O9P NBSCHQHZLSJFNQ-QTVWNMPRSA-N 3349 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.3]; fullscan high no curation splash10-0a4i-0091000000-f98f90f1719408821d56 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1882 Allose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-IVMDWMLBSA-N 3358 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.87]; fullscan high no curation splash10-004i-2970000000-d26bf81db0d0a4b45bde +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(HPO3)]- 1214 alpha-D-glucose 1-phosphate 260.029718626 C6H13O9P HXXFSFRBOHSIMQ-VFUOTHLCSA-N 3370 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.93]; fullscan high no curation splash10-0a4i-2090000000-bf74d255f32411040eaa +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1164 Lactulose 342.116211524 C12H22O11 JCQLYHFGKNRPGE-FCVZTGTOSA-N 3457 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.65]; fullscan high no curation splash10-000i-0109100000-bcbef5ee809cf7dbc41b +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1881 D-Mannose 180.063388104 C6H12O6 WQZGKKKJIJFFOK-QTVWNMPRSA-N 3476 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.88]; fullscan high no curation splash10-004i-1960000000-4de452bf1662cb8ed1f2 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1159 maltose 342.116211524 C12H22O11 GUBGYTABKSRVRQ-PICCSMPSSA-N 3497 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.61]; fullscan high no curation splash10-000i-0109100000-29ffa80356ddfa4afe8a +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1143 D-Fructose 180.063388104 C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N 3508 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.93]; fullscan high no curation splash10-004i-2950000000-5039fb1040b5ff09ac79 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(HPO3)]- 1214 alpha-D-glucose 1-phosphate 260.029718626 C6H13O9P HXXFSFRBOHSIMQ-VFUOTHLCSA-N 3621 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.18]; fullscan high no curation splash10-0a4i-2090000000-bf74d255f32411040eaa +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)]- 1143 D-Fructose 180.063388104 C6H12O6 RFSUNEUAIZKAJO-ARQDHWQXSA-N 3655 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.67]; fullscan high no curation splash10-004i-2950000000-5039fb1040b5ff09ac79 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.056114 [(M-H)-(C6H10O5)]- 1129 Sucrose 342.116211524 C12H22O11 CZMRCDWAGMRECN-UGDNZRGBSA-N 3679 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.99]; fullscan high no curation splash10-000i-0009000000-a15806392f29941249e6 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.05745 [(M-H)]- 665 Theophylline 180.064725516 C7H8N4O2 ZFXYFBGIUFBOJW-UHFFFAOYSA-N 975 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [5.11]; fullscan high no curation splash10-004i-0900000000-82362a085e0216ea4373 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.05745 [(M-H)]- 523 Theobromine 180.064725516 C7H8N4O2 YAPQBXQYLJRXSA-UHFFFAOYSA-N 1515 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [6.36]; fullscan high no curation splash10-004i-0900000000-1ae87df026e907f2db4b +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.05745 [(M-H)]- 523 Theobromine 180.064725516 C7H8N4O2 YAPQBXQYLJRXSA-UHFFFAOYSA-N 2045 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [2.07]; fullscan high no curation splash10-004i-0900000000-1ae87df026e907f2db4b +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.05745 [(M-H)]- 523 Theobromine 180.064725516 C7H8N4O2 YAPQBXQYLJRXSA-UHFFFAOYSA-N 2110 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.61]; fullscan high no curation splash10-004i-0900000000-1ae87df026e907f2db4b +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.05745 [(M-H)]- 665 Theophylline 180.064725516 C7H8N4O2 ZFXYFBGIUFBOJW-UHFFFAOYSA-N 2448 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [3.3]; fullscan high no curation splash10-004i-0900000000-82362a085e0216ea4373 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.05745 [(M-H)]- 523 Theobromine 180.064725516 C7H8N4O2 YAPQBXQYLJRXSA-UHFFFAOYSA-N 2687 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [4.79]; fullscan high no curation splash10-004i-0900000000-1ae87df026e907f2db4b +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.05745 [(M-H)]- 665 Theophylline 180.064725516 C7H8N4O2 ZFXYFBGIUFBOJW-UHFFFAOYSA-N 2913 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [6.85]; fullscan high no curation splash10-004i-0900000000-82362a085e0216ea4373 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.05745 [(M-H)]- 665 Theophylline 180.064725516 C7H8N4O2 ZFXYFBGIUFBOJW-UHFFFAOYSA-N 2921 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.86]; fullscan high no curation splash10-004i-0900000000-82362a085e0216ea4373 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.0575 [M-H]- 427 1,7-dimethylxanthine 180.064725516 C7H8N4O2 QUNWUDVFRNGTCO-UHFFFAOYSA-N 48 null; LC-ESI-NA; MS; NEGATIVE; 2017-01-01; 3.8kV; Hypersil Gold C18; [5.4-5.7]; fullscan high no curation splash10-004i-0900000000-e2fc52b2b8df99da4003 +M179T57 M179.0561T0.94 179.0560909 179.055396 179.0578225 0.942870766 0.857267045 1.220689704 0 311 0 308 [22][M]- [3M-H]- 60.014 48 Inf 38.71965908 0 0 1 0.431431566 0.23077183 1 3165.850375 1365.847786 0.431431566 3095.430069 714.3380613 0.23077183 0.534897879 0.965475509 2.44E-14 1974.951913 4347.75691 2372.804997 0.000268436 0.000285276 0.907981747 0.000308556 0.905542086 0.897437208 0.085792221 0.050187272 0.085271213 0.046960903 0.897437208 2663.224819 2896.244776 3266.268804 2995.03068 9632.380169 2567.545351 2031.073112 2113.991538 1895.116432 2437.110151 1926.2126 2350.624464 1649.351549 2398.938711 2666.59839 3921.492794 3985.181502 2095.710517 2919.540457 2291.040467 2406.90918 2260.317702 4130.017394 1882.866591 4585.592107 2017.168963 2970.019986 2113.726224 2572.626104 3350.872316 2088.270219 2483.932252 6154.711094 2283.140328 2170.782787 5196.958812 2469.656801 3335.517402 3504.150783 4079.105383 2487.206804 2643.24092 2617.579568 2883.211602 1981.179438 2138.169508 2162.004855 3766.883559 2294.817891 2435.876359 2592.123563 2122.504157 6333.278533 1561.575386 2119.425752 3316.303021 5270.904733 2407.404984 3062.162468 2649.411605 4167.533219 4502.201746 3210.697895 3442.510368 2760.128983 2715.812428 2851.072581 2863.361687 3659.337352 3092.465734 4264.319766 3780.441818 1724.586007 2025.946896 2689.558617 1917.978322 2857.217134 3133.722018 1836.692905 3516.945601 3490.552668 5018.007055 2219.061418 2527.543343 2341.952478 2011.994691 1607.629211 2983.45854 3712.481092 5346.638883 2600.901496 2353.455844 3838.590024 4000.200891 2033.13006 2173.416167 2875.650793 1611.794278 6557.676769 2847.116369 7195.271536 3283.82467 2207.650105 5746.91262 3110.0216 2198.554428 3270.65777 3162.606403 3055.741556 1728.374973 1798.477445 1852.143826 3312.908627 3112.739046 2910.198253 3565.596313 2949.453492 3022.787603 2168.149408 3263.635424 5737.802105 2440.493718 2320.275879 No_result_found_in_bank_inhouse 179.060019 [(M+Cl)]- (13C) (37Cl) 2077 L-Histidinol 141.090211987 C6H11N3O ZQISRDCJNBUVMM-YFKPBYRVSA-N 2878 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.75]; fullscan high no curation splash10-004i-0900000000-b1a8826da00038a5b58f +M181T999 M180.9731T16.65 180.9730528 180.9723431 180.9739836 16.65227968 16.34003286 16.90426664 0 331 0 325 [M+Cl+NaCOOH]- 78.0162 [M-H+NaCOOH]- 113.993 39 3.522869883 28.48205264 4.84E-08 1 1 0.108902912 0.087702456 1 2412.970839 262.7795516 0.108902912 2450.714164 214.9336519 0.087702456 0.805327007 0.833548312 4.24E-07 2015.175461 2860.082113 844.9066516 0.702331018 0.700369326 0.812332331 0.70456025 0.810685871 0.974479907 0.448317409 0.949139883 0.450707329 0.949936104 0.974479907 1860.778921 2199.759735 2787.753502 2743.951939 2139.257236 2305.539334 2678.874241 2516.52009 2656.104292 2477.352969 2361.400917 2287.003444 2542.428614 2213.073763 2476.340896 2762.40504 2175.795257 2580.624321 2292.803154 2905.278481 2581.989446 2322.716926 2635.556752 2619.92167 2132.260008 2390.445712 2394.417364 2618.778896 2290.168915 2774.155687 2589.17667 2211.107646 1998.255536 2229.792418 2756.10342 2305.664712 2351.146856 2520.90019 2733.709305 2307.185977 2753.925839 2102.757419 2190.126581 2406.205502 2158.787152 2450.634848 2505.391544 2891.812811 2095.757876 2812.300246 2277.222412 2654.008851 2320.361139 2172.934069 2643.190797 2636.128257 1938.341722 3104.495595 2542.011384 2353.794312 2164.56935 2966.531744 2653.473862 2254.743942 2216.433806 1920.950812 2679.035253 2512.41615 2081.85701 2376.589658 2208.25731 2188.744858 2657.74824 2204.402853 2008.085472 2375.627987 2382.841552 2665.915237 2418.689047 2562.637727 2460.262824 2006.639002 2446.714504 2077.633129 2600.942593 1961.156073 2536.026429 2510.956169 2489.353335 2305.904322 2519.295676 2253.975515 2175.200432 2385.75175 2596.138604 2748.187305 2483.455054 2406.747412 2307.997519 2313.130516 2644.439349 2969.962557 2389.146325 2493.80638 2435.150218 2315.887978 2146.438001 2765.347421 2206.070871 2635.266965 2605.397769 2561.991759 2600.017375 2641.082783 1908.615431 2375.815735 2715.627871 2469.020796 2464.551126 2211.268338 2296.03782 2081.8966 2194.85719 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M181T48 M180.973T0.81 180.9730491 180.9727334 180.9733707 0.806033333 0.7871 0.823266667 0 279 0 279 [26][M]- 445 1257.067353 423.4359215 0 0 1 0.029114909 0.026170641 1 180914.39 5267.305971 0.029114909 180352.8203 4719.94891 0.026170641 0.898874221 0.799443697 2.78E-06 162809.9075 188973.5226 26163.61511 0.641000227 0.640570064 0.850640686 0.643920867 0.847427448 0.897437208 0.62396837 0.891965135 0.625982701 0.890589914 0.897437208 176167.1831 181620.5489 186353.7972 178421.1383 181385.3255 175238.9041 179627.9162 180983.9299 183083.2308 190862.9321 184131.2354 180377.8818 181612.9269 176912.2397 191287.7781 176320.966 189078.5152 175193.1482 173156.1353 168529.0058 173151.0405 179046.7841 184900.7501 184095.7661 188822.7544 186290.6212 180201.7385 176063.2485 178505.095 174490.7847 176717.4253 179319.6626 177819.2154 188223.6018 179110.979 179169.238 184077.2922 179333.0055 193300.0958 183260.2131 186830.1603 168505.3043 187389.0677 181004.9466 178634.1024 192421.6694 178648.368 180995.4152 171713.7562 185791.3273 184368.8493 183576.0929 186456.7128 182174.5022 174288.4384 187218.9002 174342.6349 183715.4403 183506.2657 177769.8512 174710.472 184928.2622 184792.5837 178935.6167 175133.1517 169719.0744 182509.2343 171237.4203 190004.5247 181103.0597 172522.3378 180147.1704 186790.8565 170370.2793 178734.9802 176699.0839 187041.5999 190219.7583 184122.3442 173915.9773 174218.9206 178574.5198 183062.5334 174549.8822 184592.003 179388.4497 185060.9385 178677.2013 180100.9745 180794.3127 183490.4996 175917.3992 184286.3129 181863.7266 179743.7416 186080.714 179907.8113 184659.1077 175698.2225 171819.5366 186778.7064 179960.7976 187443.073 189691.9334 180414.238 182308.9934 172893.2418 179358.4046 178533.409 179252.6155 174939.1664 188914.4615 184499.2258 190533.5166 186049.1058 185018.9503 187285.6341 189371.2005 184392.2855 178370.19 172999.6649 178050.8328 192309.5321 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M181T933 M180.9731T15.55 180.9730725 180.9719859 180.9746087 15.54984771 15.53558531 15.7071863 0 246 0 245 [M+Cl+NaCOOH]- 78.0162 [M-H+NaCOOH]- 113.993 30 4.214957754 64.57716786 0 1 1 0.144744022 0.124048893 1 1606.023825 232.4623476 0.144744022 1652.610995 205.0045639 0.124048893 0.857022564 0.830133095 5.22E-07 1323.53139 2240.640754 917.1093638 0.800950374 0.804347833 0.907981747 0.806659293 0.905542086 0.970545484 0.97271443 0.678594721 0.973061143 0.679778253 0.970545484 1568.637887 1607.758724 1573.965579 1373.758584 1607.94026 2498.026071 1806.945405 1725.875442 1495.074284 1289.737816 1529.554568 2226.637497 1428.939999 1518.580592 1649.161445 1619.973425 1372.566045 1908.466138 2178.453785 1511.819312 1555.727654 1466.203695 1307.597841 1575.684801 1377.973138 1455.787194 1914.797636 1132.561807 1635.112793 1049.103406 1278.691852 2020.755777 1532.043047 1522.313461 1225.778685 1599.605594 1442.857182 1558.712115 1231.336011 1474.742984 1695.187746 1441.429677 1712.89458 1552.131202 1548.831319 1400.390514 1390.80513 1441.300262 1291.254892 1723.975681 1375.203703 1248.051244 1507.183584 1775.449967 1404.156601 1867.726712 1628.40508 1461.202938 1543.617726 1714.924051 1721.177884 1871.767209 1634.474375 1470.203754 1412.309083 1648.364756 1875.801708 1612.212322 1793.471121 1205.491957 1491.672136 1282.458042 1421.119846 1560.200837 1459.807415 1497.220648 1278.743774 1757.333831 1534.627594 1311.349312 1451.650457 1676.201461 1422.3073 1315.442014 1677.74697 1486.597416 1800.691441 1750.439091 1882.529005 1733.572434 1322.683011 1535.606985 1694.945431 1532.762481 1812.578573 1636.613876 1624.396927 1595.495668 1624.4326 1628.484915 1316.01965 1574.588107 1571.239918 1242.421853 1632.963054 2020.23141 1569.976656 1652.932159 1572.913048 1316.121189 1649.105963 1850.282692 1334.172708 1943.806326 1483.757631 1444.59836 1647.983865 1642.056693 1381.49097 1582.335938 1652.232772 1679.938526 1770.414876 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M181T880 M180.973T14.67 180.9730377 180.9722113 180.9739106 14.67437679 14.4544918 14.91968722 0 297 0 260 [M-H+NaCOOH]- 113.991 20 6.225017864 44.09088349 1.22E-12 1 1 0.140704867 0.130275056 1 1313.485803 184.8138448 0.140704867 1332.437584 173.5833804 0.130275056 0.925874554 0.810343492 1.59E-06 1080.620051 1953.223036 872.6029851 0.091061537 0.093024247 0.87036886 0.093374239 0.870403889 0.897437208 0.448317409 0.364837324 0.448648926 0.36824439 0.897437208 1446.62124 1173.10207 1147.298202 1274.222127 1288.280617 1586.177132 1127.029177 1237.947595 1200.232266 1156.390516 1448.275229 1359.125863 1293.186567 1200.415067 1645.14691 1558.924501 1262.481491 1124.002736 1161.06655 1069.101307 1502.931128 1086.934489 1261.436499 1295.696104 1485.033184 1162.117292 1185.950055 1393.513153 1190.79288 1290.11634 1415.313699 1221.035809 1244.297429 1251.910605 1428.223011 1379.221371 1344.808504 1732.45526 1403.572329 1195.192071 1148.177962 1335.73785 1345.744264 1865.341193 1408.032012 1357.250354 1390.591846 1455.542388 1257.824754 1212.819642 1465.241364 1591.642512 1294.427473 1264.714323 1207.584634 1449.692903 1114.75684 1243.828183 1208.996909 1251.625352 1618.704128 1440.798583 1404.159821 1310.47024 1100.978216 1292.814209 1538.523617 1209.327161 1301.465891 1067.954943 971.036555 1402.219383 1360.124833 1155.700454 1334.630445 1198.608906 1315.640634 1315.344556 1093.503737 1341.693288 964.4533078 1216.852977 1528.357555 1242.813385 1020.413723 1630.151119 1250.17557 1224.130977 1409.78565 1595.127346 1182.233889 1642.796097 1444.239026 1177.910685 1380.277729 963.9690786 1486.18316 1444.178882 1323.541363 1177.55704 1425.812086 1242.856224 1077.755615 1280.528059 1504.114335 464.1023335 1428.968638 962.6571332 1413.231319 1095.421498 1285.743331 1095.033927 1232.373192 1423.84949 1387.405884 1837.252885 1166.990487 1334.711249 1384.510144 1393.66798 1380.158853 1259.119291 1423.97614 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M183T52 M183.0357T0.87 183.0356718 183.0349503 183.0361064 0.872441464 0.857066907 0.882716568 0 69 0 69 [M+Cl]- 148.065 33 198.8270933 45.00283649 0 1 1 0.354938647 0.290256594 1 1772.134333 628.998962 0.354938647 1726.045201 500.9960014 0.290256594 0.81776554 0.761327365 1.56E-05 745.2397837 3123.384763 2378.144979 0.237161777 0.242285929 0.9963236 0.243795862 0.996349689 0.897437208 0.7471997 0.560203897 0.750141534 0.559144944 0.897437208 2203.622439 994.4623634 2096.618164 1979.483045 702.8528644 1411.126714 1447.578662 1889.515201 2508.573434 2115.489836 1099.171042 994.6549046 3568.897895 692.1729968 2398.513957 698.0024181 1628.672318 1923.331436 1843.425075 1895.129612 1722.059574 1084.76895 1937.134563 1882.449842 1689.784966 1281.712007 1488.905462 2735.862305 891.8652539 1371.125979 1390.565613 2287.123083 2357.349491 1235.808498 1657.7493 2196.762108 1315.992259 825.1172192 1412.138865 1800.46425 1122.205558 876.8513857 1734.266596 1536.255855 1760.72928 1669.063119 1602.893923 1499.207848 2143.585232 1286.451396 2112.946137 2092.897522 1647.215838 1560.236261 969.7689148 1032.847763 1256.7772 1279.139845 1277.921782 1680.608039 675.1245876 1825.450369 2636.132126 1702.457686 1141.582794 709.3693398 1557.13937 1861.966787 1976.682447 2378.379249 1917.127747 2160.045441 1273.906297 2019.721744 1894.24421 1724.359352 2544.412779 1451.242783 1703.07019 868.7703849 2606.096355 1770.839927 1937.444381 1672.714155 2122.355418 2001.419016 1697.183327 2357.477971 3089.827859 2254.139597 3619.805381 876.6655165 1678.434433 2243.075799 2285.337862 1673.064523 1817.910348 838.5820081 861.967345 937.3795399 982.9244169 1447.353917 2836.426845 1151.55236 1843.830446 1318.53738 2392.294495 1101.518272 2458.344319 2574.438747 949.9916515 1629.04268 2337.996371 2498.975085 1475.25708 1577.236408 1147.25236 1428.456281 897.4933918 1336.275759 698.3169405 952.4768184 2796.250548 No_result_found_in_bank_inhouse 183.035595 [(M+Cl)]- (37Cl) 1198 D-Glutamine 146.06914219 C5H10N2O3 ZDXPYRJPNDTMRX-GSVOUGTGSA-N 1666 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.17]; fullscan high no curation splash10-0002-0921000000-c249058befbd84422f17 +M183T52 M183.0357T0.87 183.0356718 183.0349503 183.0361064 0.872441464 0.857066907 0.882716568 0 69 0 69 [M+Cl]- 148.065 33 198.8270933 45.00283649 0 1 1 0.354938647 0.290256594 1 1772.134333 628.998962 0.354938647 1726.045201 500.9960014 0.290256594 0.81776554 0.761327365 1.56E-05 745.2397837 3123.384763 2378.144979 0.237161777 0.242285929 0.9963236 0.243795862 0.996349689 0.897437208 0.7471997 0.560203897 0.750141534 0.559144944 0.897437208 2203.622439 994.4623634 2096.618164 1979.483045 702.8528644 1411.126714 1447.578662 1889.515201 2508.573434 2115.489836 1099.171042 994.6549046 3568.897895 692.1729968 2398.513957 698.0024181 1628.672318 1923.331436 1843.425075 1895.129612 1722.059574 1084.76895 1937.134563 1882.449842 1689.784966 1281.712007 1488.905462 2735.862305 891.8652539 1371.125979 1390.565613 2287.123083 2357.349491 1235.808498 1657.7493 2196.762108 1315.992259 825.1172192 1412.138865 1800.46425 1122.205558 876.8513857 1734.266596 1536.255855 1760.72928 1669.063119 1602.893923 1499.207848 2143.585232 1286.451396 2112.946137 2092.897522 1647.215838 1560.236261 969.7689148 1032.847763 1256.7772 1279.139845 1277.921782 1680.608039 675.1245876 1825.450369 2636.132126 1702.457686 1141.582794 709.3693398 1557.13937 1861.966787 1976.682447 2378.379249 1917.127747 2160.045441 1273.906297 2019.721744 1894.24421 1724.359352 2544.412779 1451.242783 1703.07019 868.7703849 2606.096355 1770.839927 1937.444381 1672.714155 2122.355418 2001.419016 1697.183327 2357.477971 3089.827859 2254.139597 3619.805381 876.6655165 1678.434433 2243.075799 2285.337862 1673.064523 1817.910348 838.5820081 861.967345 937.3795399 982.9244169 1447.353917 2836.426845 1151.55236 1843.830446 1318.53738 2392.294495 1101.518272 2458.344319 2574.438747 949.9916515 1629.04268 2337.996371 2498.975085 1475.25708 1577.236408 1147.25236 1428.456281 897.4933918 1336.275759 698.3169405 952.4768184 2796.250548 No_result_found_in_bank_inhouse 183.035595 [(M+Cl)]- (37Cl) 1198 D-Glutamine 146.06914219 C5H10N2O3 ZDXPYRJPNDTMRX-GSVOUGTGSA-N 1779 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.94]; fullscan high no curation splash10-0002-0921000000-c249058befbd84422f17 +M183T52 M183.0357T0.87 183.0356718 183.0349503 183.0361064 0.872441464 0.857066907 0.882716568 0 69 0 69 [M+Cl]- 148.065 33 198.8270933 45.00283649 0 1 1 0.354938647 0.290256594 1 1772.134333 628.998962 0.354938647 1726.045201 500.9960014 0.290256594 0.81776554 0.761327365 1.56E-05 745.2397837 3123.384763 2378.144979 0.237161777 0.242285929 0.9963236 0.243795862 0.996349689 0.897437208 0.7471997 0.560203897 0.750141534 0.559144944 0.897437208 2203.622439 994.4623634 2096.618164 1979.483045 702.8528644 1411.126714 1447.578662 1889.515201 2508.573434 2115.489836 1099.171042 994.6549046 3568.897895 692.1729968 2398.513957 698.0024181 1628.672318 1923.331436 1843.425075 1895.129612 1722.059574 1084.76895 1937.134563 1882.449842 1689.784966 1281.712007 1488.905462 2735.862305 891.8652539 1371.125979 1390.565613 2287.123083 2357.349491 1235.808498 1657.7493 2196.762108 1315.992259 825.1172192 1412.138865 1800.46425 1122.205558 876.8513857 1734.266596 1536.255855 1760.72928 1669.063119 1602.893923 1499.207848 2143.585232 1286.451396 2112.946137 2092.897522 1647.215838 1560.236261 969.7689148 1032.847763 1256.7772 1279.139845 1277.921782 1680.608039 675.1245876 1825.450369 2636.132126 1702.457686 1141.582794 709.3693398 1557.13937 1861.966787 1976.682447 2378.379249 1917.127747 2160.045441 1273.906297 2019.721744 1894.24421 1724.359352 2544.412779 1451.242783 1703.07019 868.7703849 2606.096355 1770.839927 1937.444381 1672.714155 2122.355418 2001.419016 1697.183327 2357.477971 3089.827859 2254.139597 3619.805381 876.6655165 1678.434433 2243.075799 2285.337862 1673.064523 1817.910348 838.5820081 861.967345 937.3795399 982.9244169 1447.353917 2836.426845 1151.55236 1843.830446 1318.53738 2392.294495 1101.518272 2458.344319 2574.438747 949.9916515 1629.04268 2337.996371 2498.975085 1475.25708 1577.236408 1147.25236 1428.456281 897.4933918 1336.275759 698.3169405 952.4768184 2796.250548 No_result_found_in_bank_inhouse 183.035595 [(M+Cl)]- (37Cl) 1198 D-Glutamine 146.06914219 C5H10N2O3 ZDXPYRJPNDTMRX-GSVOUGTGSA-N 2209 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.15]; fullscan high no curation splash10-0002-0921000000-c249058befbd84422f17 +M184T52 M183.9629T0.87 183.9629099 183.9622856 183.9642105 0.872191071 0.852272066 0.890025101 0 123 0 123 751 Inf 44.87227913 0 1 1 0.38849645 0.258491219 1 1469.526 570.9056344 0.38849645 1424.612464 368.2498125 0.258491219 0.665363143 0.782750237 6.16E-06 700.2564336 2649.776743 1949.52031 0.94528967 0.946630407 0.907981747 0.946659897 0.905542086 0.895228214 0.802644269 0.959003696 0.797352852 0.958349779 0.895228214 1296.318551 925.7538401 764.2491229 1784.138801 798.7425628 857.8559603 644.9693003 898.1972755 1138.862389 1578.357524 603.7215596 447.7654055 1125.267752 589.6484514 848.4702734 446.4167583 1147.14623 1507.694707 1382.78822 823.7073646 1470.663463 1104.222554 2428.829952 1227.63457 1306.790898 1965.575539 1415.733204 2132.316704 1918.664836 788.2088584 1655.834961 4100.471389 1373.642401 1599.359341 1111.290645 2959.340922 1265.362855 715.0087882 1009.434854 1058.768436 1444.745944 1080.675356 1151.44316 1999.776025 1165.825947 1138.406451 995.2959846 1344.0149 1830.060858 1811.966592 1270.29831 989.9932898 1292.657797 1215.189511 850.3342219 672.5210524 2238.045235 1101.376035 855.6083713 2319.23137 555.8531921 1530.758497 1286.817483 1326.798759 911.3167048 630.3519354 916.3535829 744.2746157 1430.896282 1232.413437 947.8103326 1510.560461 876.7690174 1207.968256 1224.700428 1597.960127 748.625464 1153.007195 978.0874067 843.965391 1541.768742 1418.322178 1388.375914 1104.125702 1503.322151 1588.985886 1218.743641 1552.528736 1541.056166 1592.747191 1044.89497 1219.752513 1339.953265 1944.618746 1352.504547 1265.977869 833.941827 813.5307058 660.3374082 1298.381294 418.718644 685.9981899 1253.805719 1503.312141 2096.921812 1796.424259 1960.036293 1093.763089 2403.861594 1518.368959 538.4444599 2158.30804 1497.169484 2022.173578 1345.877747 1045.345521 2003.707549 2209.175248 885.9123795 1526.30835 836.5578969 840.8946955 2917.575744 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M187T49 M186.9294T0.82 186.9294397 186.9286335 186.9302034 0.821678074 0.786170453 0.840149929 0 75 0 75 [M-H]- 187.937 16 Inf 35.03307623 0 0 0 0.482400651 0.167529855 1 4248.63517 2049.544372 0.482400651 3937.061458 659.5753337 0.167529855 0.347283641 0.903429463 1.49E-09 2820.04353 5668.29925 2848.25572 0.07936992 0.07473698 0.745030178 0.047984894 0.695696123 0.004499537 0.254001584 0.151341986 0.176569102 0.113039029 0.004499537 4234.965038 6342.974584 1015.111103 2826.408025 7885.957615 3707.272491 4005.094227 2314.474547 2592.643599 3313.722601 3085.966062 2794.293657 1780.642028 2793.393434 3496.467965 3745.829867 4182.29905 3238.103829 8358.402101 3456.334548 7288.559678 2698.357387 6511.994521 1554.16298 4850.434232 3218.821269 3765.634784 2445.354111 5539.975247 3744.929644 2706.618719 4447.103952 2731.278014 4609.822953 2077.724861 4798.191106 3011.247514 4023.098697 2900.760008 5185.018156 4265.258811 2330.678569 5139.580833 3310.121707 3012.287982 2556.634661 2824.342692 3009.447067 4194.141156 2628.13607 3123.815957 2016.797542 12002.68194 3876.362271 3884.464282 2698.357387 4556.931215 3900.668304 2902.320474 3828.650427 5670.50765 6484.112527 4101.418139 3491.066625 7638.39616 6212.442181 3223.984601 2267.735485 3969.085288 3579.221854 9783.481778 5229.398149 4105.019033 2544.490089 3713.46849 3449.105883 3913.805778 2881.139346 3100.369638 4311.170208 5530.072789 5248.302842 3076.313301 4211.245402 5492.752752 3416.348076 3959.18283 4500.217137 3160.68461 4966.092872 8229.318797 3138.179024 3447.04055 3351.531986 2339.680804 5091.04551 3011.255316 3614.39724 4079.812775 4763.082391 7563.248949 3104.195295 3138.273287 2650.854731 3024.67998 4302.167973 6334.375895 4547.928981 5666.006533 4556.124298 4041.103166 3517.261868 2395.494659 2965.336117 4170.735346 3754.775147 2061.511751 6522.119055 4754.396253 2164.468842 5872.157708 2324.377005 2989.642151 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M191T910 M190.9284T15.17 190.9284318 190.9277093 190.9292211 15.16724746 15.14115507 15.20571019 0 313 0 313 [M+Cl+HCOOH]- 109.955 7 3.412938121 43.12755889 0 1 1 0.110735518 0.092555074 1 3134.309235 347.0793563 0.110735518 3147.385093 291.3064597 0.092555074 0.835821023 0.750810613 2.37E-05 2567.528187 3784.395602 1216.867414 0.975939116 0.975977533 0.907981747 0.975955476 0.905542086 0.895228214 0.859653827 0.849414503 0.859809465 0.850205389 0.895228214 3089.935221 3134.69689 3815.762193 3765.867026 3351.505885 3047.521632 2596.18436 2809.862486 3242.774702 3403.934361 2797.843387 3069.309811 3244.724706 2737.026102 3442.763631 3180.574076 3161.879979 3081.934962 3134.475658 3087.564437 2543.624177 2913.851157 3347.306251 3150.389238 3366.358153 3088.501299 2681.113087 2919.085755 3042.353907 3837.029132 2829.264911 2638.421195 2826.725446 3070.481645 3072.149244 2981.514003 2869.537956 3185.759697 3366.861922 3143.905382 2535.23929 3214.238822 3051.703386 3596.225215 2950.253656 3909.993936 2611.299786 3429.267038 3038.045536 3168.748878 3051.937803 2705.776222 2965.747373 3353.098716 2927.193499 2924.540344 3544.020387 3102.514127 3243.917949 2562.695541 3279.981806 2985.803392 3404.610816 2922.935585 2825.703255 3031.229735 2921.859249 2865.354044 3846.14098 3089.21053 2759.538094 3955.048053 2502.725691 3412.214473 2775.388882 3316.459122 3508.298592 3329.989448 2991.727332 2859.413497 3159.906192 2985.815449 3450.4656 3154.806401 2645.208412 3721.004229 3031.669325 4266.484814 3401.95435 3054.463166 3143.356512 2719.170075 2680.199954 3322.564971 2214.816583 2779.854891 3402.459452 3180.508224 3117.83592 2704.547908 3207.243009 3281.788427 2925.786758 3063.888757 2737.100577 2271.313358 2691.682782 2444.855778 3747.792903 2868.980755 2983.698091 3001.265597 3531.253635 2517.996561 2642.689783 3468.384355 2977.270188 2920.231172 3319.03768 3172.946559 2989.432711 3186.588463 3073.169835 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M191T880 M190.9284T14.67 190.9284228 190.9276005 190.9292268 14.66725271 14.43895579 14.69194227 0 375 0 329 20 4.15064365 52.66016455 0 0 1 0.107466839 0.074482793 1 3031.390573 325.7739638 0.107466839 2998.605603 223.3445208 0.074482793 0.693076986 0.877576257 1.79E-08 2393.060027 3658.667812 1265.607785 0.364808166 0.371184624 0.977327172 0.370060595 0.977780827 0.91798044 0.771921577 0.678594721 0.770906765 0.679778253 0.91798044 3020.378918 3222.921815 2841.143742 2935.197844 2450.051592 2821.623079 2612.797 2528.961045 3067.636168 3179.552012 2887.033572 2807.404345 2836.038969 3510.197883 2974.070257 3092.320137 2787.018267 2952.521824 3129.517169 2722.245159 2794.11669 3172.107706 3136.615592 3010.618587 3566.070174 3447.171592 2781.735406 3585.590837 3429.402665 3033.510495 3002.632861 3174.468114 2765.875692 3879.288082 3177.431524 2680.072398 2809.28411 3069.101118 3149.925135 3456.04462 3247.900195 2905.313909 3590.027351 2762.85544 3478.227191 2762.012085 2794.11669 2563.875089 3106.572903 3327.385706 2599.797365 2958.267718 2620.205331 2765.989928 3049.041123 3293.668198 2698.882418 3218.542676 2477.073755 2679.81901 2953.997194 3195.177581 2876.068196 3134.440761 2365.105397 2898.761301 2870.424736 3256.401478 3190.226822 2973.351867 3322.061889 2917.326872 3263.651855 2891.720004 2885.508884 3882.837293 2883.734279 2852.678679 2822.091196 2854.35318 2488.627502 3905.206041 2706.273708 3257.220197 3258.176083 2629.550639 2925.351791 2692.3211 3137.420547 3137.502895 3001.745558 4182.774588 3281.245958 2799.303347 3113.790449 2714.259433 3094.912358 2870.618122 2967.067469 2731.995402 2981.337593 2886.396187 3924.540527 3144.601318 3098.46157 2583.749728 3189.853764 2800.511015 2879.409671 4092.240767 3460.375652 2603.346576 2878.782813 3347.750396 2850.105062 2899.70573 3142.059737 3156.439057 2666.345079 2920.113696 2688.458602 2704.005071 3347.249636 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M193T880 M192.9289T14.67 192.9288687 192.9280703 192.9298869 14.67308353 14.65289383 14.92215877 0 363 0 317 20 5.42015685 44.65536343 1.86E-13 1 1 0.130119173 0.098627144 1 1680.233104 218.6305424 0.130119173 1691.193315 166.7975662 0.098627144 0.757975487 0.896503735 3.09E-09 1313.630331 2015.458643 701.8283125 0.975939116 0.975977533 0.828852751 0.975955476 0.82588821 0.973919844 0.588714059 0.999878042 0.593491865 0.999878616 0.973919844 1871.40544 1783.484086 1582.359961 1756.044966 1564.134802 1581.867066 1486.539615 1739.501859 2110.80927 1315.18432 1590.681973 2017.240866 1555.002228 1454.516945 1811.242023 1886.572716 1901.967093 1579.965873 1697.681552 1353.023269 1819.241466 1830.743375 2009.844234 1559.747736 1784.110371 1572.996156 1994.039275 1384.397846 1628.307807 2024.836831 1328.783324 1901.034319 1927.760853 1505.28926 1547.768949 2031.689922 1754.033683 1530.935688 1934.688143 1789.358425 1520.275382 1382.234006 1606.266744 1673.358905 2019.572665 1344.753287 1814.402194 1765.470033 1737.24884 1778.690759 1757.721924 1549.354341 1379.845987 1521.760347 1930.527748 1575.821312 1265.519643 1372.517088 1774.438692 1825.242724 1776.988521 1474.707449 1902.964707 1456.474292 1507.481207 1726.873305 1751.68783 1714.410761 2232.936788 1539.014862 1763.687618 1663.98643 1598.942258 1841.948351 1475.798794 1752.205375 1576.423752 1657.534421 2042.386356 1651.118396 1609.904036 1812.17184 1509.38078 1883.674706 1604.199744 1725.864707 1554.937003 1676.79393 1964.781665 1511.534063 1439.869417 1823.667233 1565.932643 1341.849157 1967.952681 1668.957737 1585.576297 1410.954993 2008.628749 1594.623872 1429.521821 1511.282789 1497.166412 2008.171036 1700.286477 1466.01655 1497.138386 1942.670591 1539.964744 1659.085823 1855.063095 1586.799344 1478.004891 1651.331519 1662.937164 1419.791795 1771.786022 1672.908641 1413.416941 1888.16369 1868.123499 1905.453126 1397.520712 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M194T56 M193.8155T0.93 193.8154793 193.8145774 193.8164562 0.929522278 0.845881007 0.96413313 0 154 0 153 48 Inf 55.77797973 0 1 1 0.21022493 0.205304462 1 578.150748 121.5417006 0.21022493 553.1149545 113.5569679 0.205304462 0.976594267 0.911316878 6.07E-10 307.0799704 826.3267722 519.2468018 0.879448725 0.879544579 0.828852751 0.874915149 0.82588821 0.498628159 0.658555572 0.891965135 0.648694085 0.88363401 0.498628159 433.764256 420.8235636 460.3368912 554.3793556 488.3106407 379.9040983 406.7292533 439.4860204 555.8938404 446.1805782 460.3940084 607.4424797 615.1473534 565.6346618 717.9159161 408.6429192 484.7484899 498.575704 578.6879804 651.6323093 800.6936162 545.7171515 592.8538207 570.2545574 567.3649258 517.1071668 583.1498124 627.1613048 582.0583739 738.9480749 577.5324951 616.5004488 428.8913166 577.7234477 393.979167 993.652408 501.9644388 654.5453331 656.8745444 661.9850686 465.902775 641.1775908 549.1263322 711.3917008 576.4342905 771.8158231 763.6008207 563.5393118 534.237697 374.3696877 384.3165671 597.1879547 689.2725645 792.6790924 720.3823957 719.8179764 603.610477 562.8027688 406.5972238 480.0521419 584.5403446 475.0138729 495.3068967 507.7877035 589.1380985 510.1911677 623.6235472 457.7155984 952.9499406 754.9574713 660.3232855 911.6428076 558.1597997 587.9811653 657.7144306 410.9527386 692.654457 622.538159 486.5639787 519.8045632 432.7034772 602.0211777 571.5548414 581.0745697 481.4940113 717.1573063 749.5897815 767.6197864 700.2699481 578.8787808 708.8176745 634.3184582 741.1893534 871.3626404 697.1338049 665.0538087 561.2364465 660.2901556 570.6972835 607.9186513 497.2075203 443.602666 694.3322702 652.2246841 727.7419129 540.4792475 555.5168713 616.3338883 609.5461818 596.5815414 390.4242937 515.7475743 563.3376994 499.8077189 475.1370001 564.0749297 512.867217 614.2287907 452.7564993 483.1054834 450.0735097 700.7043724 592.1887639 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.049238 [(M-H)]- (13C) 562 4-acetamidosalicylic acid 195.053157773 C9H9NO4 YBTVSGCNBZPRBD-UHFFFAOYSA-N 1533 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [9.08]; fullscan high no curation splash10-0006-0900000000-f37b2995f6eb1ac62897 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.049238 [(M-H)]- (13C) 552 salicyluric acid 195.053157773 C9H9NO4 ONJSZLXSECQROL-UHFFFAOYSA-N 1694 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [9.57]; fullscan high no curation splash10-0006-0910000000-6e1a0c9c8e3143f04beb +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.049238 [(M-H)]- (13C) 562 4-acetamidosalicylic acid 195.053157773 C9H9NO4 YBTVSGCNBZPRBD-UHFFFAOYSA-N 2123 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [5.93]; fullscan high no curation splash10-0006-0900000000-f37b2995f6eb1ac62897 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.049238 [(M-H)]- (13C) 563 N-acetyl-5-aminosalicylic acid 195.053157773 C9H9NO4 GEFDRROBUCULOD-UHFFFAOYSA-N 2141 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [5.6]; fullscan high no curation splash10-0006-0900000000-f4a30eed6a84deb10cf2 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.049238 [(M-H)]- (13C) 552 salicyluric acid 195.053157773 C9H9NO4 ONJSZLXSECQROL-UHFFFAOYSA-N 2314 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [6.38]; fullscan high no curation splash10-0006-0910000000-6e1a0c9c8e3143f04beb +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.049238 [(M-H)]- (13C) 552 salicyluric acid 195.053157773 C9H9NO4 ONJSZLXSECQROL-UHFFFAOYSA-N 2423 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [5.83]; fullscan high no curation splash10-0006-0910000000-6e1a0c9c8e3143f04beb +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.049238 [(M-H)]- (13C) 564 4-Carboxyphenylglycine 195.053157773 C9H9NO4 VTMJKPGFERYGJF-UHFFFAOYSA-N 2659 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.91]; fullscan high no curation splash10-0udi-0900000000-ce0c67163bda4750b7aa +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.049238 [(M-H)]- (13C) 2042 α-Hydroxyhippuric acid 195.053157773 C9H9NO4 GCWCVCCEIQXUQU-UHFFFAOYSA-N 2676 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [6.36]; fullscan high no curation splash10-0006-0902000000-61fb5696aec2e7363d42 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.049238 [(M-H)]- (13C) 2042 α-Hydroxyhippuric acid 195.053157773 C9H9NO4 GCWCVCCEIQXUQU-UHFFFAOYSA-N 2732 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [3.4]; fullscan high no curation splash10-0006-0902000000-61fb5696aec2e7363d42 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.049238 [(M-H)]- (13C) 564 4-Carboxyphenylglycine 195.053157773 C9H9NO4 VTMJKPGFERYGJF-UHFFFAOYSA-N 3211 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.93]; fullscan high no curation splash10-0udi-0900000000-ce0c67163bda4750b7aa +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.049238 [(M-H)]- (13C) 563 N-acetyl-5-aminosalicylic acid 195.053157773 C9H9NO4 GEFDRROBUCULOD-UHFFFAOYSA-N 3338 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [8.47]; fullscan high no curation splash10-0006-0900000000-f4a30eed6a84deb10cf2 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.049238 [(M-H)]- (13C) 563 N-acetyl-5-aminosalicylic acid 195.053157773 C9H9NO4 GEFDRROBUCULOD-UHFFFAOYSA-N 3612 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [4.7]; fullscan high no curation splash10-0006-0900000000-f4a30eed6a84deb10cf2 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.049238 [(M-H)]- (13C) 562 4-acetamidosalicylic acid 195.053157773 C9H9NO4 YBTVSGCNBZPRBD-UHFFFAOYSA-N 3695 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [5.19]; fullscan high no curation splash10-0006-0900000000-f37b2995f6eb1ac62897 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051 [(M-H)]- 1449 Gluconic acid 196.058302724 C6H12O7 RGHNJXZEOKUKBD-SQOUGZDYSA-N 280 null; LC-ESI-FT; MS; NEGATIVE; 2015-05-06; 3.8kV; Hypersil Gold C18; [0.9-1.45]; fullscan high no curation splash10-0002-0920100000-e5631d5232542c874e09 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)+(HCOOH)]- 1160 D-(-)-Ribose 150.05282342 C5H10O5 HMFHBZSHGGEWLO-SOOFDHNKSA-N 820 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.71]; fullscan high no curation splash10-0002-1900000000-9b213be273c27af7d445 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)-(C12H20O9)]- 1133 maltotriose 504.169034944 C18H32O16 FYGDTMLNYKFZSV-DZOUCCHMSA-N 994 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.67]; fullscan high no curation splash10-052b-0040091000-a575aa104e1246bcb179 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)]- 1449 Gluconic acid 196.058302724 C6H12O7 RGHNJXZEOKUKBD-SQOUGZDYSA-N 1206 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.88]; fullscan high no curation splash10-0002-0910000000-551f28a111c74a2c3864 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)-(C12H20O9)]- 1133 maltotriose 504.169034944 C18H32O16 FYGDTMLNYKFZSV-DZOUCCHMSA-N 1253 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.56]; fullscan high no curation splash10-052b-0040091000-a575aa104e1246bcb179 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)+(HCOOH)]- 1870 D-xylopyranose 150.05282342 C5H10O5 SRBFZHDQGSBBOR-IOVATXLUSA-N 1266 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.97]; fullscan high no curation splash10-0002-0900000000-bd114161de621455374c +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)+(HCOOH)]- 1871 D-arabinopyranose 150.05282342 C5H10O5 SRBFZHDQGSBBOR-ZRMNMSDTSA-N 1274 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.68]; fullscan high no curation splash10-0002-0900000000-fb5363a1ff55afe520a5 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)+(HCOOH)]- 1872 L-arabinopyranose 150.05282342 C5H10O5 SRBFZHDQGSBBOR-HWQSCIPKSA-N 1466 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.86]; fullscan high no curation splash10-0002-0900000000-1a0081781dd74fbb097b +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)+(HCOOH)]- 1870 D-xylopyranose 150.05282342 C5H10O5 SRBFZHDQGSBBOR-IOVATXLUSA-N 1843 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.74]; fullscan high no curation splash10-0002-0900000000-bd114161de621455374c +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)+(HCOOH)]- 1160 D-(-)-Ribose 150.05282342 C5H10O5 HMFHBZSHGGEWLO-SOOFDHNKSA-N 2014 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.91]; fullscan high no curation splash10-0002-1900000000-9b213be273c27af7d445 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)+(HCOOH)]- 1871 D-arabinopyranose 150.05282342 C5H10O5 SRBFZHDQGSBBOR-ZRMNMSDTSA-N 2197 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.92]; fullscan high no curation splash10-0002-0900000000-fb5363a1ff55afe520a5 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)]- 1449 Gluconic acid 196.058302724 C6H12O7 RGHNJXZEOKUKBD-SQOUGZDYSA-N 2256 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.85]; fullscan high no curation splash10-0002-0910000000-551f28a111c74a2c3864 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)+(HCOOH)]- 1872 L-arabinopyranose 150.05282342 C5H10O5 SRBFZHDQGSBBOR-HWQSCIPKSA-N 2382 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.67]; fullscan high no curation splash10-0002-0900000000-1a0081781dd74fbb097b +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)+(HCOOH)]- 1160 D-(-)-Ribose 150.05282342 C5H10O5 HMFHBZSHGGEWLO-SOOFDHNKSA-N 2575 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.95]; fullscan high no curation splash10-0002-1900000000-9b213be273c27af7d445 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)+(HCOOH)]- 1870 D-xylopyranose 150.05282342 C5H10O5 SRBFZHDQGSBBOR-IOVATXLUSA-N 2938 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.03]; fullscan high no curation splash10-0002-0900000000-bd114161de621455374c +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)+(HCOOH)]- 1870 D-xylopyranose 150.05282342 C5H10O5 SRBFZHDQGSBBOR-IOVATXLUSA-N 3012 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.99]; fullscan high no curation splash10-0002-0900000000-bd114161de621455374c +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)]- 1449 Gluconic acid 196.058302724 C6H12O7 RGHNJXZEOKUKBD-SQOUGZDYSA-N 3149 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.7]; fullscan high no curation splash10-0002-0910000000-551f28a111c74a2c3864 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)+(HCOOH)]- 1871 D-arabinopyranose 150.05282342 C5H10O5 SRBFZHDQGSBBOR-ZRMNMSDTSA-N 3210 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.73]; fullscan high no curation splash10-0002-0900000000-fb5363a1ff55afe520a5 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)-(C12H20O9)]- 1133 maltotriose 504.169034944 C18H32O16 FYGDTMLNYKFZSV-DZOUCCHMSA-N 3259 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.96]; fullscan high no curation splash10-052b-0040091000-a575aa104e1246bcb179 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.051029 [(M-H)+(HCOOH)]- 1872 L-arabinopyranose 150.05282342 C5H10O5 SRBFZHDQGSBBOR-HWQSCIPKSA-N 3579 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.85]; fullscan high no curation splash10-0002-0900000000-1a0081781dd74fbb097b +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.052365 [(M-H)]- 1973 1,7-dimethyluric acid 196.059640136 C7H8N4O3 NOFNCLGCUJJPKU-UHFFFAOYSA-N 1256 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [2.78]; fullscan high no curation splash10-0005-0906000000-73235104e178f88ffe37 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.052365 [(M-H)]- 2044 3,7-Dimethyluric acid 196.059640136 C7H8N4O3 HMLZLHKHNBLLJD-UHFFFAOYSA-N 1481 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [3.56]; fullscan high no curation splash10-0002-0902100000-a2cc0529096b0d835595 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.052365 [(M-H)]- 1973 1,7-dimethyluric acid 196.059640136 C7H8N4O3 NOFNCLGCUJJPKU-UHFFFAOYSA-N 1649 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.51]; fullscan high no curation splash10-0005-0906000000-73235104e178f88ffe37 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.052365 [(M-H)]- 1976 1,3-Dimethyluric Acid 196.059640136 C7H8N4O3 OTSBKHHWSQYEHK-UHFFFAOYSA-N 2161 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.91]; fullscan high no curation splash10-0002-0903000000-53e800099f814e6d14fe +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.052365 [(M-H)]- 2044 3,7-Dimethyluric acid 196.059640136 C7H8N4O3 HMLZLHKHNBLLJD-UHFFFAOYSA-N 2322 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.18]; fullscan high no curation splash10-0002-0902100000-a2cc0529096b0d835595 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.052365 [(M-H)]- 1973 1,7-dimethyluric acid 196.059640136 C7H8N4O3 NOFNCLGCUJJPKU-UHFFFAOYSA-N 2358 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [6.47]; fullscan high no curation splash10-0005-0906000000-73235104e178f88ffe37 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.052365 [(M-H)]- 1976 1,3-Dimethyluric Acid 196.059640136 C7H8N4O3 OTSBKHHWSQYEHK-UHFFFAOYSA-N 2508 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [4.67]; fullscan high no curation splash10-0002-0903000000-53e800099f814e6d14fe +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.052365 [(M-H)]- 1976 1,3-Dimethyluric Acid 196.059640136 C7H8N4O3 OTSBKHHWSQYEHK-UHFFFAOYSA-N 2738 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.97]; fullscan high no curation splash10-0002-0903000000-53e800099f814e6d14fe +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.052365 [(M-H)]- 2044 3,7-Dimethyluric acid 196.059640136 C7H8N4O3 HMLZLHKHNBLLJD-UHFFFAOYSA-N 2793 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [4.3]; fullscan high no curation splash10-0002-0902100000-a2cc0529096b0d835595 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.052365 [(M-H)]- 2044 3,7-Dimethyluric acid 196.059640136 C7H8N4O3 HMLZLHKHNBLLJD-UHFFFAOYSA-N 3036 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.02]; fullscan high no curation splash10-0002-0902100000-a2cc0529096b0d835595 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.05261 [(M-H)+(HCOOH)]- (13C) 1851 L-methionine 149.051049597 C5H11NO2S FFEARJCKVFRZRR-BYPYZUCNSA-N 1501 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.6]; fullscan high no curation splash10-0udk-0911000000-f80f8d6c922fff7e8a93 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.05261 [(M-H)+(HCOOH)]- (13C) 1851 L-methionine 149.051049597 C5H11NO2S FFEARJCKVFRZRR-BYPYZUCNSA-N 1614 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.59]; fullscan high no curation splash10-0udk-0911000000-f80f8d6c922fff7e8a93 +M195T55 M195.0511T0.92 195.0510962 195.0504852 195.0517615 0.919444967 0.897774016 0.943066365 0 121 0 121 824 Inf 33.92097259 0 0 0 0.541713146 0.182666008 1 2453.727914 1329.216667 0.541713146 2353.295205 429.8670414 0.182666008 0.337200619 0.964302114 3.50E-14 1402.615467 3795.620684 2393.005217 0.003295286 0.003527939 0.858784823 0.003053407 0.860184011 0.765470316 0.070016138 0.164503381 0.060858906 0.151362868 0.765470316 2547.142575 3511.466426 2176.689931 2253.025627 6972.082231 1754.598433 1099.297941 1397.929762 1642.012736 1522.744919 2305.844462 1804.734719 1250.000686 2217.087016 1607.804137 1935.097217 3060.163358 1598.55857 2272.109551 2273.232135 1874.714896 1819.708292 3013.01484 1376.287702 3712.384528 1679.38532 2599.853499 1202.287218 3796.229895 2928.071135 1807.35987 1996.11796 2639.609438 2187.915768 1319.03593 4389.79531 2371.487989 2412.168485 1940.947339 2411.309939 3309.91306 1473.743413 2469.684295 2433.433289 1580.597949 1458.025949 1188.816213 3482.805167 1619.823375 1650.198142 2145.257585 2130.663996 7047.58091 1509.801125 2553.625663 2386.613096 4301.037865 2687.686387 1908.285072 2202.294109 3117.605262 3217.325086 1948.041011 2564.720343 4514.610468 3772.191421 1251.680904 1848.89547 2149.594376 1610.90771 4112.024351 4814.166845 1594.860343 1771.43719 2185.670601 1631.114218 2350.690415 1930.844085 1129.808313 3111.133365 3222.080172 2773.670162 1116.970851 2840.238246 2780.639999 1457.101392 1201.923737 2284.579657 3084.321221 2067.799305 3284.680112 1568.972755 2789.620669 2171.783737 1382.212298 2223.838449 1636.727137 2285.504214 2018.307321 2267.937636 8403.662105 1313.423011 1619.888381 1644.585223 3513.687201 1936.94633 2086.883229 3367.235577 2635.911211 1665.914315 1524.594033 1366.184448 2862.427608 1665.126654 1969.305815 3630.435913 1332.286235 2688.610944 1792.766281 3176.91207 4406.437331 1606.879581 1052.145548 No_result_found_in_bank_inhouse 195.054195 [(M+Cl)]- 1318 D-alanyl-D-alanine 160.084792254 C6H12N2O3 DEFJQIDDEAULHB-QWWZWVQMSA-N 3061 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.86]; fullscan high no curation splash10-0a4i-0903000000-0f60bf8cf0e7a6f9410f +M196T55 M196.0746T0.91 196.074595 196.0741599 196.0751342 0.910004822 0.889752375 0.927904862 0 96 0 96 [M-2H+Na]- 175.095 45 Inf 45.03100198 0 1 1 0.335702068 0.180504915 1 4896.964227 1643.921016 0.335702068 4746.994831 856.8558966 0.180504915 0.537693783 0.982841719 1.21E-17 3042.299468 6434.84018 3392.540712 0.00070813 0.000773369 0.977302209 0.000815442 0.977137807 0.897437208 0.170696644 0.050187272 0.170822229 0.046960903 0.897437208 4072.699285 4671.483892 4361.642443 5433.351466 10832.02219 3132.304198 4365.35642 3061.629212 4071.007526 2848.860907 5138.900156 5352.137066 2365.639926 5520.677978 2978.995822 5845.971496 6434.939738 3033.447878 6732.918652 4685.593023 7909.289944 4495.555675 8550.34261 4978.449347 6037.626091 3500.504222 3943.576157 5623.196483 6438.549795 4171.906989 3621.796155 5148.199143 2972.635377 5711.186746 5180.027944 5297.167112 5152.912221 6010.171946 3288.039994 4446.430054 6790.239804 5724.844696 4373.333975 5727.12078 4372.199246 3007.847587 4097.36168 3809.672172 7021.68935 4837.576956 3828.937162 3636.427469 2553.516351 3893.104363 7247.77676 4017.843525 8535.796133 4338.482544 3913.210481 5276.716939 4997.111022 7969.370109 5138.734827 4274.28148 6893.063234 6454.666651 3129.185749 6387.301925 3940.325637 5429.982673 4443.288733 3927.803973 5196.344651 3344.406005 4356.983551 3771.57668 5863.12306 3230.973233 4530.723197 7339.839843 7360.270141 13331.86866 3815.241102 4374.928069 3245.754265 3491.653256 3672.023712 3436.928881 3968.083025 8173.243015 6192.77478 4623.020404 6055.669048 3672.851398 4187.263565 3527.229767 6052.470482 2061.364701 4261.081412 4690.564376 4954.418751 3532.85846 5220.375272 2214.95088 4390.91469 2873.101258 6633.467565 3527.688402 4474.15584 4087.048916 6072.135784 4821.604531 4913.141439 3814.177398 4326.083445 4271.493526 4582.458253 9026.096834 2441.38179 4769.252551 11661.74382 5634.029835 3307.960659 No_result_found_in_bank_inhouse 196.074596 [(M+Cl)]- 407 carnitine 161.105193345 C7H15NO3 PHIQHXFUZVPYII-UHFFFAOYSA-N 2461 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.92]; fullscan high no curation splash10-0a4j-0490000000-4dd842ec8b3803385252 +M196T55 M196.0746T0.91 196.074595 196.0741599 196.0751342 0.910004822 0.889752375 0.927904862 0 96 0 96 [M-2H+Na]- 175.095 45 Inf 45.03100198 0 1 1 0.335702068 0.180504915 1 4896.964227 1643.921016 0.335702068 4746.994831 856.8558966 0.180504915 0.537693783 0.982841719 1.21E-17 3042.299468 6434.84018 3392.540712 0.00070813 0.000773369 0.977302209 0.000815442 0.977137807 0.897437208 0.170696644 0.050187272 0.170822229 0.046960903 0.897437208 4072.699285 4671.483892 4361.642443 5433.351466 10832.02219 3132.304198 4365.35642 3061.629212 4071.007526 2848.860907 5138.900156 5352.137066 2365.639926 5520.677978 2978.995822 5845.971496 6434.939738 3033.447878 6732.918652 4685.593023 7909.289944 4495.555675 8550.34261 4978.449347 6037.626091 3500.504222 3943.576157 5623.196483 6438.549795 4171.906989 3621.796155 5148.199143 2972.635377 5711.186746 5180.027944 5297.167112 5152.912221 6010.171946 3288.039994 4446.430054 6790.239804 5724.844696 4373.333975 5727.12078 4372.199246 3007.847587 4097.36168 3809.672172 7021.68935 4837.576956 3828.937162 3636.427469 2553.516351 3893.104363 7247.77676 4017.843525 8535.796133 4338.482544 3913.210481 5276.716939 4997.111022 7969.370109 5138.734827 4274.28148 6893.063234 6454.666651 3129.185749 6387.301925 3940.325637 5429.982673 4443.288733 3927.803973 5196.344651 3344.406005 4356.983551 3771.57668 5863.12306 3230.973233 4530.723197 7339.839843 7360.270141 13331.86866 3815.241102 4374.928069 3245.754265 3491.653256 3672.023712 3436.928881 3968.083025 8173.243015 6192.77478 4623.020404 6055.669048 3672.851398 4187.263565 3527.229767 6052.470482 2061.364701 4261.081412 4690.564376 4954.418751 3532.85846 5220.375272 2214.95088 4390.91469 2873.101258 6633.467565 3527.688402 4474.15584 4087.048916 6072.135784 4821.604531 4913.141439 3814.177398 4326.083445 4271.493526 4582.458253 9026.096834 2441.38179 4769.252551 11661.74382 5634.029835 3307.960659 No_result_found_in_bank_inhouse 196.074596 [(M+Cl)]- 407 carnitine 161.105193345 C7H15NO3 PHIQHXFUZVPYII-UHFFFAOYSA-N 2800 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.66]; fullscan high no curation splash10-0a4j-0490000000-4dd842ec8b3803385252 +M196T55 M196.0746T0.91 196.074595 196.0741599 196.0751342 0.910004822 0.889752375 0.927904862 0 96 0 96 [M-2H+Na]- 175.095 45 Inf 45.03100198 0 1 1 0.335702068 0.180504915 1 4896.964227 1643.921016 0.335702068 4746.994831 856.8558966 0.180504915 0.537693783 0.982841719 1.21E-17 3042.299468 6434.84018 3392.540712 0.00070813 0.000773369 0.977302209 0.000815442 0.977137807 0.897437208 0.170696644 0.050187272 0.170822229 0.046960903 0.897437208 4072.699285 4671.483892 4361.642443 5433.351466 10832.02219 3132.304198 4365.35642 3061.629212 4071.007526 2848.860907 5138.900156 5352.137066 2365.639926 5520.677978 2978.995822 5845.971496 6434.939738 3033.447878 6732.918652 4685.593023 7909.289944 4495.555675 8550.34261 4978.449347 6037.626091 3500.504222 3943.576157 5623.196483 6438.549795 4171.906989 3621.796155 5148.199143 2972.635377 5711.186746 5180.027944 5297.167112 5152.912221 6010.171946 3288.039994 4446.430054 6790.239804 5724.844696 4373.333975 5727.12078 4372.199246 3007.847587 4097.36168 3809.672172 7021.68935 4837.576956 3828.937162 3636.427469 2553.516351 3893.104363 7247.77676 4017.843525 8535.796133 4338.482544 3913.210481 5276.716939 4997.111022 7969.370109 5138.734827 4274.28148 6893.063234 6454.666651 3129.185749 6387.301925 3940.325637 5429.982673 4443.288733 3927.803973 5196.344651 3344.406005 4356.983551 3771.57668 5863.12306 3230.973233 4530.723197 7339.839843 7360.270141 13331.86866 3815.241102 4374.928069 3245.754265 3491.653256 3672.023712 3436.928881 3968.083025 8173.243015 6192.77478 4623.020404 6055.669048 3672.851398 4187.263565 3527.229767 6052.470482 2061.364701 4261.081412 4690.564376 4954.418751 3532.85846 5220.375272 2214.95088 4390.91469 2873.101258 6633.467565 3527.688402 4474.15584 4087.048916 6072.135784 4821.604531 4913.141439 3814.177398 4326.083445 4271.493526 4582.458253 9026.096834 2441.38179 4769.252551 11661.74382 5634.029835 3307.960659 No_result_found_in_bank_inhouse 196.074596 [(M+Cl)]- 407 carnitine 161.105193345 C7H15NO3 PHIQHXFUZVPYII-UHFFFAOYSA-N 3516 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.79]; fullscan high no curation splash10-0a4j-0490000000-4dd842ec8b3803385252 +M197T56 M196.8335T0.93 196.8335338 196.8318273 196.8351908 0.925748065 0.902741178 0.945916638 0 75 0 75 848 41.03276728 29.03415273 2.22E-16 1 1 0.31647299 0.25732889 1 265.6043255 84.05659508 0.31647299 255.2528275 65.68392675 0.25732889 0.813114856 0.864427794 5.16E-08 101.3345166 504.1059387 402.7714221 0.862165745 0.860632681 0.917465563 0.860312789 0.916454701 0.897437208 0.853760516 0.990076385 0.854180076 0.990475666 0.897437208 192.306497 284.9999458 178.0684229 254.1949552 290.7905509 297.7088578 220.6026115 298.8716129 267.8810138 257.4410129 326.5195194 266.1830618 276.5621885 271.1844374 286.0888106 220.738783 146.9134897 308.7747608 226.4997577 337.856475 224.0855291 451.1284772 209.3056648 250.1213915 381.9985436 401.5343369 230.937842 168.4716044 346.788447 178.4538675 243.8089434 234.3077379 220.328379 332.6252603 251.469663 161.8239931 320.9580318 396.222846 281.6590866 260.9319796 354.3772348 283.5043558 328.638509 286.6026799 206.8282965 191.7424371 190.4602845 294.7504406 327.235839 226.2868433 342.1555848 260.2884195 255.2239255 465.8847342 285.8273931 118.4227595 332.6274323 217.5813821 196.2654505 206.315372 295.9848246 257.3396138 290.048367 221.2087006 230.5537627 225.7278658 287.7729308 254.4234207 217.8377093 98.01298139 170.9890756 267.9236574 250.4890943 229.0652748 179.4245743 305.7649321 283.1479945 219.9113266 155.0909132 381.8189219 234.9092749 269.1207777 748.2205844 138.105437 246.0846666 350.5524594 244.2961718 296.1049046 152.0411901 199.3436423 157.5078925 396.4079281 176.9783075 248.4304264 306.6398612 206.1494074 337.7118219 315.758368 197.0609063 216.9221119 266.9649182 544.3793606 232.4517675 164.8553162 181.9096959 267.0175134 578.3070408 227.0824893 280.7050847 224.5207525 333.3899238 324.3024976 217.7585018 333.6073642 159.6630839 142.9662566 210.5225126 243.0885593 168.2099479 369.536664 273.1971213 180.072564 193.4971083 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M197T999 M196.9473T16.65 196.9472823 196.9460469 196.9491966 16.65472698 16.62235658 16.68104755 0 234 0 234 [M+Cl+NaCOOH]- 93.988 [M-H+NaCOOH]- 129.965 39 3.37650438 22.16270638 6.09E-09 1 1 0.205737725 0.152575486 1 534.9075321 110.0506586 0.205737725 554.6955883 84.63294909 0.152575486 0.741601893 0.808005777 1.80E-06 272.936679 707.0437927 434.1071136 0.543541481 0.548174907 0.946954697 0.54588624 0.94468685 0.924056199 0.772141184 0.875157643 0.771548806 0.875416782 0.924056199 883.6107158 424.6816712 548.2874712 674.6533536 539.3336686 707.5657433 527.0261723 640.9415937 440.5710633 412.0026242 560.2630035 416.889132 745.0549458 561.7296058 537.7683952 548.3325465 336.6730619 583.2274545 509.0318078 713.6505883 466.4966802 623.3878451 331.8703003 397.7163242 461.7939815 453.6349348 414.8558011 482.696936 495.846294 700.567059 533.5556264 472.8754621 509.8562364 359.4837249 569.0723577 660.1930839 535.280476 543.5215272 708.3514574 559.5660278 486.4832743 496.8586402 480.9688765 450.4631325 513.1544306 631.0287681 577.986752 562.2306082 537.3320827 440.1258792 831.1063144 749.3223984 463.8675415 466.0748161 420.6777052 743.9413599 412.6503036 619.6943196 624.7935359 423.176432 478.707667 654.7162975 514.6959612 522.4395022 420.5986706 752.7934509 708.6807336 622.0891274 366.1658936 552.0030257 602.9225186 420.472336 498.3144994 705.1386433 523.7599339 535.8215319 489.3486119 423.0624939 626.003707 494.4485553 490.9166014 786.2182155 431.9444673 501.5346128 392.8260553 446.2576584 521.7538506 429.8301927 463.2211339 475.4895658 529.0966375 516.521738 570.3986705 495.0258802 561.6896985 523.4124637 598.1480106 605.1697973 771.1831176 548.4845105 545.6645459 490.3662686 539.50981 577.7919864 565.4457643 619.4332728 444.0123392 518.8742305 551.1130912 450.6600206 666.0524356 561.6738681 421.9412529 387.8064498 567.9078614 489.2115689 415.3639631 550.5883603 412.6464543 376.2975141 448.4095459 516.2405526 582.750785 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M197T933 M196.9472T15.55 196.9471589 196.945574 196.9483292 15.54915928 15.52475782 15.56881569 0 120 0 120 [M+Cl+NaCOOH]- 93.9879 [M-H+NaCOOH]- 129.965 30 3.306992711 17.02915524 1.54E-07 1 1 0.254921631 0.218115938 1 420.6281433 107.2272125 0.254921631 434.0611451 94.67565383 0.218115938 0.855619576 0.806615303 1.93E-06 256.7752457 672.9483556 416.1731098 0.604265008 0.6056148 0.903553864 0.602225028 0.904127599 0.895228214 0.913940548 0.574037301 0.911952536 0.571032088 0.895228214 332.7184248 472.0551103 630.1916109 279.4235825 348.7694007 397.8278904 314.5413749 580.1963287 506.7078451 271.679418 358.6119635 426.6597497 324.045214 255.6022304 355.8386849 440.8019208 464.6510412 371.8661276 476.8460105 432.2495247 440.8294921 370.1750955 500.328338 335.8526019 612.6069912 663.7200568 405.5659648 527.7653629 407.3707672 231.9610895 415.5431161 388.3816362 347.316145 279.5711681 476.3992996 359.0829741 412.2107941 375.1798857 385.4873288 364.7458274 690.3541232 253.0960778 323.2481139 378.1019017 284.1028978 517.7648847 506.3248796 574.8985728 408.5446536 350.0075068 289.3800481 183.2374164 472.9808843 385.3254281 371.1025879 360.1129228 370.8975015 401.164411 333.8279746 318.6225636 351.218517 366.1842859 595.9001644 482.4625844 610.2175902 355.2556671 298.18364 482.9082868 513.786477 364.8986873 405.0349865 337.898455 295.0969273 336.6002691 414.1783401 298.805096 473.3305318 648.2637674 743.6340403 389.8570148 428.3198939 360.9089189 491.1808999 476.2326165 347.1225315 429.0263702 426.5467134 471.1167483 509.1774341 308.8089581 394.4465406 513.8637694 400.2118352 599.1491367 435.9683664 464.468842 343.6752249 585.3306051 435.3515869 657.3214907 271.9174602 423.2698845 471.8382416 451.2341898 378.5738709 435.4120859 546.1535369 579.0685386 467.609372 335.6428136 608.4014602 315.9832791 506.0853329 473.6520963 271.3374468 346.8975758 255.9922751 448.2872049 225.7388851 317.1356941 471.0009668 523.9995964 505.6375659 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.070034 [(M-H)+(HCOOH)]- (13C) 1958 L-Arabitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N 864 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.63]; fullscan high no curation splash10-0002-0900000000-fb0fe087eb43f8ed4349 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.070034 [(M-H)+(HCOOH)]- (13C) 1432 Adonitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-NGQZWQHPSA-N 1767 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.69]; fullscan high no curation splash10-0002-0900000000-809a3e7a684ca78bd935 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.070034 [(M-H)+(HCOOH)]- (13C) 1429 D-arabinitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-QWWZWVQMSA-N 1871 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.87]; fullscan high no curation splash10-0f6t-0900000000-fc3869b09339159a9584 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.070034 [(M-H)+(HCOOH)]- (13C) 1958 L-Arabitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N 2542 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.87]; fullscan high no curation splash10-0002-0900000000-fb0fe087eb43f8ed4349 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.070034 [(M-H)+(HCOOH)]- (13C) 1958 L-Arabitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N 2605 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.85]; fullscan high no curation splash10-0002-0900000000-fb0fe087eb43f8ed4349 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.070034 [(M-H)+(HCOOH)]- (13C) 1432 Adonitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-NGQZWQHPSA-N 3343 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.86]; fullscan high no curation splash10-0002-0900000000-809a3e7a684ca78bd935 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.070034 [(M-H)+(HCOOH)]- (13C) 1958 L-Arabitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N 3458 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.68]; fullscan high no curation splash10-0002-0900000000-fb0fe087eb43f8ed4349 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.070034 [(M-H)+(HCOOH)]- (13C) 1432 Adonitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-NGQZWQHPSA-N 3690 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.64]; fullscan high no curation splash10-0002-0900000000-809a3e7a684ca78bd935 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.070034 [(M-H)+(HCOOH)]- (13C) 1432 Adonitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-NGQZWQHPSA-N 3737 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.86]; fullscan high no curation splash10-0002-0900000000-809a3e7a684ca78bd935 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.071646 [(M+Cl)]- (37Cl) 407 carnitine 161.105193345 C7H15NO3 PHIQHXFUZVPYII-UHFFFAOYSA-N 2461 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.92]; fullscan high no curation splash10-0a4j-0490000000-4dd842ec8b3803385252 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.071646 [(M+Cl)]- (37Cl) 407 carnitine 161.105193345 C7H15NO3 PHIQHXFUZVPYII-UHFFFAOYSA-N 2800 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.66]; fullscan high no curation splash10-0a4j-0490000000-4dd842ec8b3803385252 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.071646 [(M+Cl)]- (37Cl) 407 carnitine 161.105193345 C7H15NO3 PHIQHXFUZVPYII-UHFFFAOYSA-N 3516 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.79]; fullscan high no curation splash10-0a4j-0490000000-4dd842ec8b3803385252 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.0732 [(M+Cl)]- (13C) 370 5-Hydroxylysine 162.100442318 C6H14N2O3 YSMODUONRAFBET-UHFFFAOYSA-N 949 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.64]; fullscan high no curation splash10-03di-0970000000-e81627de1120ed0c5942 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.0732 [(M+Cl)]- (13C) 370 5-Hydroxylysine 162.100442318 C6H14N2O3 YSMODUONRAFBET-UHFFFAOYSA-N 1674 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.79]; fullscan high no curation splash10-03di-0970000000-e81627de1120ed0c5942 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.0732 [(M+Cl)]- (13C) 370 5-Hydroxylysine 162.100442318 C6H14N2O3 YSMODUONRAFBET-UHFFFAOYSA-N 3088 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.8]; fullscan high no curation splash10-03di-0970000000-e81627de1120ed0c5942 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.0732 [(M+Cl)]- (13C) 370 5-Hydroxylysine 162.100442318 C6H14N2O3 YSMODUONRAFBET-UHFFFAOYSA-N 3418 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [3.83]; fullscan high no curation splash10-03di-0970000000-e81627de1120ed0c5942 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.0747776 [(M-H)+(HCOONa)]- 1849 L-leucine 131.094628661 C6H13NO2 ROHFNLRQFUQHCH-YFKPBYRVSA-N 2552 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [8.31]; fullscan high no curation splash10-001i-0910000000-792ea4394773d888cc8f +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.0747776 [(M-H)+(HCOONa)]- 1849 L-leucine 131.094628661 C6H13NO2 ROHFNLRQFUQHCH-YFKPBYRVSA-N 3729 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.74]; fullscan high no curation splash10-001i-0910000000-792ea4394773d888cc8f +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.074778 [(M-H)+(HCOONa)]- 1074 L-Norleucine 131.094628661 C6H13NO2 LRQKBLKVPFOOQJ-YFKPBYRVSA-N 2129 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.85]; fullscan high no curation splash10-001i-0900000000-9b4a7b38e5d2f32f2520 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.074778 [(M-H)+(HCOONa)]- 383 DL-beta-Leucine 131.094628661 C6H13NO2 GLUJNGJDHCTUJY-UHFFFAOYSA-N 2580 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.34]; fullscan high no curation splash10-001i-0900000000-873a0726efeecae53cf7 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.074778 [(M-H)+(HCOONa)]- 1074 L-Norleucine 131.094628661 C6H13NO2 LRQKBLKVPFOOQJ-YFKPBYRVSA-N 2962 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [2.48]; fullscan high no curation splash10-001i-0900000000-9b4a7b38e5d2f32f2520 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.074778 [(M-H)+(HCOONa)]- 383 DL-beta-Leucine 131.094628661 C6H13NO2 GLUJNGJDHCTUJY-UHFFFAOYSA-N 3524 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [10.76]; fullscan high no curation splash10-001i-0900000000-873a0726efeecae53cf7 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.074778 [(M-H)+(HCOONa)]- 383 DL-beta-Leucine 131.094628661 C6H13NO2 GLUJNGJDHCTUJY-UHFFFAOYSA-N 3717 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [2.15]; fullscan high no curation splash10-001i-0900000000-873a0726efeecae53cf7 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.07478 [(M-H)+(HCOONa)]- 1847 Isoleucine 131.094628661 C6H13NO2 AGPKZVBTJJNPAG-WHFBIAKZSA-N 856 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.08]; fullscan high no curation splash10-001i-0900000000-6fcb748b4e66ed770f05 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.07478 [(M-H)+(HCOONa)]- 1847 Isoleucine 131.094628661 C6H13NO2 AGPKZVBTJJNPAG-WHFBIAKZSA-N 1671 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.44]; fullscan high no curation splash10-001i-0900000000-6fcb748b4e66ed770f05 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.07478 [(M-H)+(HCOONa)]- 1847 Isoleucine 131.094628661 C6H13NO2 AGPKZVBTJJNPAG-WHFBIAKZSA-N 2386 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [2.36]; fullscan high no curation splash10-001i-0900000000-6fcb748b4e66ed770f05 +M198T55 M198.0717T0.91 198.0717166 198.0708723 198.0724962 0.914847138 0.889752375 0.946055429 0 105 0 105 45 Inf 44.12795028 0 1 1 0.345380084 0.226551554 1 1540.751142 532.1447596 0.345380084 1508.317268 341.7116204 0.226551554 0.655948515 0.967314729 1.35E-14 796.8105006 2357.509938 1560.699437 0.000158657 0.000170063 0.907981747 0.000175828 0.905542086 0.91798044 0.044071781 0.050187272 0.047011 0.046960903 0.91798044 1057.866165 1520.667773 1884.012016 1801.746255 2727.853871 1200.489975 1467.630009 1079.848763 1312.177173 910.8884753 1695.309467 1739.344201 1103.050101 1743.418363 986.4914225 1872.620995 2760.317265 1243.13157 1853.324484 1217.613555 2384.71613 1156.803704 2274.417677 1717.628381 2251.21206 1448.194317 1214.180923 1622.65073 1892.309654 1039.416826 1046.678808 1405.16108 1076.1727 1462.452422 1796.123282 1658.270898 2294.349686 1649.675042 1028.924818 1683.207398 1853.587468 1738.726438 1502.31229 2240.250543 1535.425157 884.6161801 1507.822784 1258.515049 2161.629581 1232.950792 1542.878424 1047.995583 1019.536711 1084.835658 2592.681909 1523.363439 2698.06453 1052.752332 1344.962577 1737.185375 1797.935266 2351.879179 1592.443547 1189.6148 2063.998283 2026.83435 1138.971725 1381.921153 1403.854934 2044.507412 1135.253842 1141.201416 1344.891546 1258.556912 1112.078098 1141.790797 1602.207934 1256.202147 1559.876901 2245.696385 2310.41083 4468.772955 1712.094659 1018.396714 1063.391885 933.0660228 884.8443052 932.7974639 1467.015266 2840.92885 1834.444071 1258.788145 1646.249675 1481.634757 1451.401589 1209.949869 2359.490079 931.9905278 990.5804864 1128.840163 1830.107427 1011.806974 1285.382942 705.4686823 1713.717498 1229.794411 2336.573457 1334.863998 1489.872021 1290.455353 1699.533633 1275.38763 1830.037364 1155.28302 1242.878149 1590.542683 1593.809512 2250.863352 719.8927202 1519.842715 3165.354688 1549.567238 928.0880985 No_result_found_in_bank_inhouse 198.07478 [(M-H)+(HCOONa)]- 1847 Isoleucine 131.094628661 C6H13NO2 AGPKZVBTJJNPAG-WHFBIAKZSA-N 3451 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [7.14]; fullscan high no curation splash10-001i-0900000000-6fcb748b4e66ed770f05 +M199T56 M198.8083T0.93 198.8082893 198.806811 198.8092439 0.927558112 0.883951053 0.964287229 0 73 0 72 [32][M+1]- 835 Inf 51.09639182 0 1 1 0.265439412 0.235620038 1 293.7503542 77.97292138 0.265439412 277.7955725 65.45420339 0.235620038 0.887660337 0.878340779 1.68E-08 91.76969043 509.2120133 417.4423229 0.890407325 0.889581501 0.745030178 0.891981548 0.72890136 0.969859104 0.380340133 0.584497083 0.386955566 0.583465204 0.969859104 425.6508348 318.5932617 300.5778138 234.9474932 298.7509335 467.2822697 278.8290598 184.5179387 306.4181383 461.7762365 229.3359301 547.9048461 163.4547429 169.979183 199.0356741 313.650434 283.7800698 248.5666276 294.5970736 229.2910176 319.6032555 338.2594143 247.575962 266.762284 283.6512159 227.5959028 272.4438425 319.1698764 227.6175473 338.3115346 284.9981915 256.9849575 267.3220036 243.2424782 313.163938 209.6405656 208.1058943 395.8468292 455.4898694 201.2266226 307.498145 313.9485087 307.6457778 277.7483807 387.9213121 146.4547063 293.7592388 307.1400334 280.5269687 262.0730627 260.3905831 426.8400827 412.7122949 432.9390702 304.1722246 375.6752054 221.0058601 295.9733122 363.1563637 315.7724722 302.0469035 246.8482152 299.0054915 239.4872501 334.7128461 335.2107286 303.5291166 270.6159496 201.37274 239.7055393 352.4991482 172.4723781 311.2784959 247.6487041 314.8652322 300.7626547 208.3456295 290.548009 182.0792692 146.0754301 201.5302484 210.660815 308.6797835 470.242377 317.1114967 454.3594237 303.748753 228.2955925 251.1849302 256.869877 246.6183412 347.2611464 250.1812994 246.4428547 194.3173646 311.4082255 423.4363051 222.0091296 252.1103645 297.2037768 340.3001427 257.5040469 296.6093861 423.5483866 217.8238401 505.0982601 247.1956364 237.0926093 410.2952423 194.6120338 322.9654897 294.5790053 257.6659104 371.1762491 346.5271849 379.4757177 261.4977525 310.3966255 232.800778 286.2433832 338.1653451 183.5622476 290.7675754 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.066895 [(M+Cl)]- (37Cl) 370 5-Hydroxylysine 162.100442318 C6H14N2O3 YSMODUONRAFBET-UHFFFAOYSA-N 949 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.64]; fullscan high no curation splash10-03di-0970000000-e81627de1120ed0c5942 +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.066895 [(M+Cl)]- (37Cl) 370 5-Hydroxylysine 162.100442318 C6H14N2O3 YSMODUONRAFBET-UHFFFAOYSA-N 1674 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.79]; fullscan high no curation splash10-03di-0970000000-e81627de1120ed0c5942 +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.066895 [(M+Cl)]- (37Cl) 370 5-Hydroxylysine 162.100442318 C6H14N2O3 YSMODUONRAFBET-UHFFFAOYSA-N 3088 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.8]; fullscan high no curation splash10-03di-0970000000-e81627de1120ed0c5942 +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.066895 [(M+Cl)]- (37Cl) 370 5-Hydroxylysine 162.100442318 C6H14N2O3 YSMODUONRAFBET-UHFFFAOYSA-N 3418 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [3.83]; fullscan high no curation splash10-03di-0970000000-e81627de1120ed0c5942 +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.070027 [(M-H)+(HCOONa)]- 1259 L-ornithine 132.089877634 C5H12N2O2 AHLPHDHHMVZTML-BYPYZUCNSA-N 1900 null; LC-UNKNOWN-FT; MS; NEGATIVE; 2017-01-01; sigma; [3.74]; fullscan high no curation splash10-0012-0910000000-2e337faa64b94bb5b916 +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.070027 [(M-H)+(HCOONa)]- 1259 L-ornithine 132.089877634 C5H12N2O2 AHLPHDHHMVZTML-BYPYZUCNSA-N 2786 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.85]; fullscan high no curation splash10-0012-0910000000-2e337faa64b94bb5b916 +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.070027 [(M-H)+(HCOONa)]- 1259 L-ornithine 132.089877634 C5H12N2O2 AHLPHDHHMVZTML-BYPYZUCNSA-N 3584 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.8]; fullscan high no curation splash10-0012-0910000000-2e337faa64b94bb5b916 +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.070923 [(M-H)+(HCOOH)]- (18O) 1958 L-Arabitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N 864 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.63]; fullscan high no curation splash10-0002-0900000000-fb0fe087eb43f8ed4349 +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.070923 [(M-H)+(HCOOH)]- (18O) 1432 Adonitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-NGQZWQHPSA-N 1767 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.69]; fullscan high no curation splash10-0002-0900000000-809a3e7a684ca78bd935 +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.070923 [(M-H)+(HCOOH)]- (18O) 1429 D-arabinitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-QWWZWVQMSA-N 1871 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.87]; fullscan high no curation splash10-0f6t-0900000000-fc3869b09339159a9584 +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.070923 [(M-H)+(HCOOH)]- (18O) 1958 L-Arabitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N 2542 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.87]; fullscan high no curation splash10-0002-0900000000-fb0fe087eb43f8ed4349 +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.070923 [(M-H)+(HCOOH)]- (18O) 1958 L-Arabitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N 2605 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.85]; fullscan high no curation splash10-0002-0900000000-fb0fe087eb43f8ed4349 +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.070923 [(M-H)+(HCOOH)]- (18O) 1432 Adonitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-NGQZWQHPSA-N 3343 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.86]; fullscan high no curation splash10-0002-0900000000-809a3e7a684ca78bd935 +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.070923 [(M-H)+(HCOOH)]- (18O) 1958 L-Arabitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N 3458 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.68]; fullscan high no curation splash10-0002-0900000000-fb0fe087eb43f8ed4349 +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.070923 [(M-H)+(HCOOH)]- (18O) 1432 Adonitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-NGQZWQHPSA-N 3690 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.64]; fullscan high no curation splash10-0002-0900000000-809a3e7a684ca78bd935 +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.070923 [(M-H)+(HCOOH)]- (18O) 1432 Adonitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-NGQZWQHPSA-N 3737 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.86]; fullscan high no curation splash10-0002-0900000000-809a3e7a684ca78bd935 +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.075001 [(M+Cl)]- (13C) (37Cl) 407 carnitine 161.105193345 C7H15NO3 PHIQHXFUZVPYII-UHFFFAOYSA-N 2461 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.92]; fullscan high no curation splash10-0a4j-0490000000-4dd842ec8b3803385252 +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.075001 [(M+Cl)]- (13C) (37Cl) 407 carnitine 161.105193345 C7H15NO3 PHIQHXFUZVPYII-UHFFFAOYSA-N 2800 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.66]; fullscan high no curation splash10-0a4j-0490000000-4dd842ec8b3803385252 +M199T47 M199.07T0.79 199.0700157 199.0693556 199.0756561 0.788869048 0.771650033 0.926427148 0 171 0 171 [33][M]- [M-H-CH2]- 214.091 16 Inf 63.96084934 0 1 1 0.253726814 0.231366909 1 5955.717255 1511.125165 0.253726814 5169.47196 1196.04475 0.231366909 0.911874097 0.919068844 2.30E-10 276.0983639 7175.950743 6899.852379 0.487995979 0.491549621 0.907981747 0.486916744 0.905542086 0.877941452 0.659581915 0.902843964 0.653986298 0.905553463 0.877941452 6686.429309 4041.404157 4412.228193 6146.195745 4070.418917 5263.412372 3278.865984 5443.650355 8886.798637 4559.471973 3458.512826 5940.757073 6333.268227 5528.349559 6655.311005 4389.690493 4168.540091 6406.119195 9600.961654 6395.744468 6859.493164 5952.236471 8254.052658 4126.569174 6107.155152 7889.500709 4101.978063 5136.934855 8432.19107 5430.374278 6552.6126 7084.384326 6528.246331 6074.667062 6162.184179 7796.780309 5692.825654 4724.798861 4171.717797 5092.818313 6495.042954 6193.670052 9861.694734 7148.859163 5671.58916 4431.182914 7978.193136 5101.343145 6113.08091 4962.604801 4467.23704 6139.646581 5003.290914 5967.537688 7014.087655 4849.576738 8085.130227 8409.677522 5337.303365 8004.565642 3885.781267 7551.289202 6702.673836 5642.672472 5304.247785 4927.692409 6217.595443 6482.965387 4298.995663 9640.752588 7036.883587 6347.243748 7752.874878 6572.609378 6449.311873 7559.778547 3934.190385 4781.265599 7790.954916 6244.378766 7760.56117 7035.819525 6195.579025 5896.537142 5894.333795 4990.598899 2841.728143 5200.265899 4685.055355 7503.322119 5300.307917 5655.693417 4824.077821 5179.101189 5576.740571 4241.347869 3579.584703 4479.545734 4186.258982 3257.62049 5911.590874 4267.661942 5044.704203 5369.199305 7448.285653 4833.054866 9147.683921 4652.843121 7825.149954 4587.063743 5822.44759 4763.464401 6112.172995 3951.384681 5434.196539 6642.207558 6322.960935 5458.912939 2508.417383 5574.80266 4842.392782 4860.601185 5398.670909 No_result_found_in_bank_inhouse 199.075001 [(M+Cl)]- (13C) (37Cl) 407 carnitine 161.105193345 C7H15NO3 PHIQHXFUZVPYII-UHFFFAOYSA-N 3516 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [4.79]; fullscan high no curation splash10-0a4j-0490000000-4dd842ec8b3803385252 +M200T47 M200.0732T0.79 200.0732439 200.071512 200.0744583 0.788876278 0.771650033 0.805916667 0 102 0 102 [33][M+1]- 16 Inf 52.09658324 0 1 1 0.342452677 0.237981624 1 422.0666832 144.5378655 0.342452677 387.5897524 92.23923857 0.237981624 0.694932876 0.822704372 8.05E-07 181.8262305 642.3934757 460.5672452 0.882970209 0.882623659 0.797864997 0.882024684 0.799360927 0.895228214 0.516587555 0.774750826 0.515934883 0.774092083 0.895228214 264.8948803 462.18518 461.7031022 377.7293897 256.3092531 388.2193525 117.049815 489.7470887 438.8900161 440.1789841 288.8214374 319.6739929 502.7833672 436.1288711 390.1535631 347.7123592 214.9047371 706.5463321 564.3096489 602.0520638 252.4633232 254.6175284 528.9656284 274.2064084 444.4349783 755.7000359 244.0922817 421.5320536 612.0563171 574.8038461 328.1377535 859.956829 444.2879899 452.1026587 435.8227526 752.0032996 241.0172582 342.5483715 255.9322149 365.5741179 615.6802413 628.3991854 684.0332065 557.805309 470.7248646 193.3254354 470.7525003 581.3023693 341.5850815 392.5781977 341.3225198 443.646748 417.7423166 328.61484 331.2802275 300.6211408 730.8340652 573.5521263 235.2191682 452.5860686 163.8361564 343.6000437 404.573594 456.3066748 497.1211158 392.9224066 271.720172 292.122262 426.95259 613.644791 331.0549462 320.8304155 707.7643181 352.6590808 506.4241769 426.6379454 303.7921155 321.708255 455.4159276 321.5067013 459.7773828 801.4169172 320.295341 270.909519 305.4497663 322.2137251 246.0730631 445.9524985 667.1288127 495.5785932 263.4643002 406.7114271 366.4344062 222.4109015 468.6040403 362.3392262 278.6158512 598.1727108 382.6197497 402.3699718 394.9828366 314.8307073 279.6333033 401.8772051 295.6567263 213.667869 354.9353445 439.1253771 495.4000484 364.6004364 272.3246715 352.3955551 467.3611008 517.7190151 479.1204349 414.4228121 325.7899446 244.2391451 279.0849724 225.1687321 251.5240706 314.1935569 556.2691505 No_result_found_in_bank_inhouse 200.073382 [(M-H)+(HCOONa)]- (13C) 1259 L-ornithine 132.089877634 C5H12N2O2 AHLPHDHHMVZTML-BYPYZUCNSA-N 1900 null; LC-UNKNOWN-FT; MS; NEGATIVE; 2017-01-01; sigma; [3.74]; fullscan high no curation splash10-0012-0910000000-2e337faa64b94bb5b916 +M200T47 M200.0732T0.79 200.0732439 200.071512 200.0744583 0.788876278 0.771650033 0.805916667 0 102 0 102 [33][M+1]- 16 Inf 52.09658324 0 1 1 0.342452677 0.237981624 1 422.0666832 144.5378655 0.342452677 387.5897524 92.23923857 0.237981624 0.694932876 0.822704372 8.05E-07 181.8262305 642.3934757 460.5672452 0.882970209 0.882623659 0.797864997 0.882024684 0.799360927 0.895228214 0.516587555 0.774750826 0.515934883 0.774092083 0.895228214 264.8948803 462.18518 461.7031022 377.7293897 256.3092531 388.2193525 117.049815 489.7470887 438.8900161 440.1789841 288.8214374 319.6739929 502.7833672 436.1288711 390.1535631 347.7123592 214.9047371 706.5463321 564.3096489 602.0520638 252.4633232 254.6175284 528.9656284 274.2064084 444.4349783 755.7000359 244.0922817 421.5320536 612.0563171 574.8038461 328.1377535 859.956829 444.2879899 452.1026587 435.8227526 752.0032996 241.0172582 342.5483715 255.9322149 365.5741179 615.6802413 628.3991854 684.0332065 557.805309 470.7248646 193.3254354 470.7525003 581.3023693 341.5850815 392.5781977 341.3225198 443.646748 417.7423166 328.61484 331.2802275 300.6211408 730.8340652 573.5521263 235.2191682 452.5860686 163.8361564 343.6000437 404.573594 456.3066748 497.1211158 392.9224066 271.720172 292.122262 426.95259 613.644791 331.0549462 320.8304155 707.7643181 352.6590808 506.4241769 426.6379454 303.7921155 321.708255 455.4159276 321.5067013 459.7773828 801.4169172 320.295341 270.909519 305.4497663 322.2137251 246.0730631 445.9524985 667.1288127 495.5785932 263.4643002 406.7114271 366.4344062 222.4109015 468.6040403 362.3392262 278.6158512 598.1727108 382.6197497 402.3699718 394.9828366 314.8307073 279.6333033 401.8772051 295.6567263 213.667869 354.9353445 439.1253771 495.4000484 364.6004364 272.3246715 352.3955551 467.3611008 517.7190151 479.1204349 414.4228121 325.7899446 244.2391451 279.0849724 225.1687321 251.5240706 314.1935569 556.2691505 No_result_found_in_bank_inhouse 200.073382 [(M-H)+(HCOONa)]- (13C) 1259 L-ornithine 132.089877634 C5H12N2O2 AHLPHDHHMVZTML-BYPYZUCNSA-N 2786 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.85]; fullscan high no curation splash10-0012-0910000000-2e337faa64b94bb5b916 +M200T47 M200.0732T0.79 200.0732439 200.071512 200.0744583 0.788876278 0.771650033 0.805916667 0 102 0 102 [33][M+1]- 16 Inf 52.09658324 0 1 1 0.342452677 0.237981624 1 422.0666832 144.5378655 0.342452677 387.5897524 92.23923857 0.237981624 0.694932876 0.822704372 8.05E-07 181.8262305 642.3934757 460.5672452 0.882970209 0.882623659 0.797864997 0.882024684 0.799360927 0.895228214 0.516587555 0.774750826 0.515934883 0.774092083 0.895228214 264.8948803 462.18518 461.7031022 377.7293897 256.3092531 388.2193525 117.049815 489.7470887 438.8900161 440.1789841 288.8214374 319.6739929 502.7833672 436.1288711 390.1535631 347.7123592 214.9047371 706.5463321 564.3096489 602.0520638 252.4633232 254.6175284 528.9656284 274.2064084 444.4349783 755.7000359 244.0922817 421.5320536 612.0563171 574.8038461 328.1377535 859.956829 444.2879899 452.1026587 435.8227526 752.0032996 241.0172582 342.5483715 255.9322149 365.5741179 615.6802413 628.3991854 684.0332065 557.805309 470.7248646 193.3254354 470.7525003 581.3023693 341.5850815 392.5781977 341.3225198 443.646748 417.7423166 328.61484 331.2802275 300.6211408 730.8340652 573.5521263 235.2191682 452.5860686 163.8361564 343.6000437 404.573594 456.3066748 497.1211158 392.9224066 271.720172 292.122262 426.95259 613.644791 331.0549462 320.8304155 707.7643181 352.6590808 506.4241769 426.6379454 303.7921155 321.708255 455.4159276 321.5067013 459.7773828 801.4169172 320.295341 270.909519 305.4497663 322.2137251 246.0730631 445.9524985 667.1288127 495.5785932 263.4643002 406.7114271 366.4344062 222.4109015 468.6040403 362.3392262 278.6158512 598.1727108 382.6197497 402.3699718 394.9828366 314.8307073 279.6333033 401.8772051 295.6567263 213.667869 354.9353445 439.1253771 495.4000484 364.6004364 272.3246715 352.3955551 467.3611008 517.7190151 479.1204349 414.4228121 325.7899446 244.2391451 279.0849724 225.1687321 251.5240706 314.1935569 556.2691505 No_result_found_in_bank_inhouse 200.073382 [(M-H)+(HCOONa)]- (13C) 1259 L-ornithine 132.089877634 C5H12N2O2 AHLPHDHHMVZTML-BYPYZUCNSA-N 3584 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.8]; fullscan high no curation splash10-0012-0910000000-2e337faa64b94bb5b916 +M200T47 M200.0732T0.79 200.0732439 200.071512 200.0744583 0.788876278 0.771650033 0.805916667 0 102 0 102 [33][M+1]- 16 Inf 52.09658324 0 1 1 0.342452677 0.237981624 1 422.0666832 144.5378655 0.342452677 387.5897524 92.23923857 0.237981624 0.694932876 0.822704372 8.05E-07 181.8262305 642.3934757 460.5672452 0.882970209 0.882623659 0.797864997 0.882024684 0.799360927 0.895228214 0.516587555 0.774750826 0.515934883 0.774092083 0.895228214 264.8948803 462.18518 461.7031022 377.7293897 256.3092531 388.2193525 117.049815 489.7470887 438.8900161 440.1789841 288.8214374 319.6739929 502.7833672 436.1288711 390.1535631 347.7123592 214.9047371 706.5463321 564.3096489 602.0520638 252.4633232 254.6175284 528.9656284 274.2064084 444.4349783 755.7000359 244.0922817 421.5320536 612.0563171 574.8038461 328.1377535 859.956829 444.2879899 452.1026587 435.8227526 752.0032996 241.0172582 342.5483715 255.9322149 365.5741179 615.6802413 628.3991854 684.0332065 557.805309 470.7248646 193.3254354 470.7525003 581.3023693 341.5850815 392.5781977 341.3225198 443.646748 417.7423166 328.61484 331.2802275 300.6211408 730.8340652 573.5521263 235.2191682 452.5860686 163.8361564 343.6000437 404.573594 456.3066748 497.1211158 392.9224066 271.720172 292.122262 426.95259 613.644791 331.0549462 320.8304155 707.7643181 352.6590808 506.4241769 426.6379454 303.7921155 321.708255 455.4159276 321.5067013 459.7773828 801.4169172 320.295341 270.909519 305.4497663 322.2137251 246.0730631 445.9524985 667.1288127 495.5785932 263.4643002 406.7114271 366.4344062 222.4109015 468.6040403 362.3392262 278.6158512 598.1727108 382.6197497 402.3699718 394.9828366 314.8307073 279.6333033 401.8772051 295.6567263 213.667869 354.9353445 439.1253771 495.4000484 364.6004364 272.3246715 352.3955551 467.3611008 517.7190151 479.1204349 414.4228121 325.7899446 244.2391451 279.0849724 225.1687321 251.5240706 314.1935569 556.2691505 No_result_found_in_bank_inhouse 200.074278 [(M-H)+(HCOOH)]- (13C) (18O) 1958 L-Arabitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N 864 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.63]; fullscan high no curation splash10-0002-0900000000-fb0fe087eb43f8ed4349 +M200T47 M200.0732T0.79 200.0732439 200.071512 200.0744583 0.788876278 0.771650033 0.805916667 0 102 0 102 [33][M+1]- 16 Inf 52.09658324 0 1 1 0.342452677 0.237981624 1 422.0666832 144.5378655 0.342452677 387.5897524 92.23923857 0.237981624 0.694932876 0.822704372 8.05E-07 181.8262305 642.3934757 460.5672452 0.882970209 0.882623659 0.797864997 0.882024684 0.799360927 0.895228214 0.516587555 0.774750826 0.515934883 0.774092083 0.895228214 264.8948803 462.18518 461.7031022 377.7293897 256.3092531 388.2193525 117.049815 489.7470887 438.8900161 440.1789841 288.8214374 319.6739929 502.7833672 436.1288711 390.1535631 347.7123592 214.9047371 706.5463321 564.3096489 602.0520638 252.4633232 254.6175284 528.9656284 274.2064084 444.4349783 755.7000359 244.0922817 421.5320536 612.0563171 574.8038461 328.1377535 859.956829 444.2879899 452.1026587 435.8227526 752.0032996 241.0172582 342.5483715 255.9322149 365.5741179 615.6802413 628.3991854 684.0332065 557.805309 470.7248646 193.3254354 470.7525003 581.3023693 341.5850815 392.5781977 341.3225198 443.646748 417.7423166 328.61484 331.2802275 300.6211408 730.8340652 573.5521263 235.2191682 452.5860686 163.8361564 343.6000437 404.573594 456.3066748 497.1211158 392.9224066 271.720172 292.122262 426.95259 613.644791 331.0549462 320.8304155 707.7643181 352.6590808 506.4241769 426.6379454 303.7921155 321.708255 455.4159276 321.5067013 459.7773828 801.4169172 320.295341 270.909519 305.4497663 322.2137251 246.0730631 445.9524985 667.1288127 495.5785932 263.4643002 406.7114271 366.4344062 222.4109015 468.6040403 362.3392262 278.6158512 598.1727108 382.6197497 402.3699718 394.9828366 314.8307073 279.6333033 401.8772051 295.6567263 213.667869 354.9353445 439.1253771 495.4000484 364.6004364 272.3246715 352.3955551 467.3611008 517.7190151 479.1204349 414.4228121 325.7899446 244.2391451 279.0849724 225.1687321 251.5240706 314.1935569 556.2691505 No_result_found_in_bank_inhouse 200.074278 [(M-H)+(HCOOH)]- (13C) (18O) 1958 L-Arabitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N 2542 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.87]; fullscan high no curation splash10-0002-0900000000-fb0fe087eb43f8ed4349 +M200T47 M200.0732T0.79 200.0732439 200.071512 200.0744583 0.788876278 0.771650033 0.805916667 0 102 0 102 [33][M+1]- 16 Inf 52.09658324 0 1 1 0.342452677 0.237981624 1 422.0666832 144.5378655 0.342452677 387.5897524 92.23923857 0.237981624 0.694932876 0.822704372 8.05E-07 181.8262305 642.3934757 460.5672452 0.882970209 0.882623659 0.797864997 0.882024684 0.799360927 0.895228214 0.516587555 0.774750826 0.515934883 0.774092083 0.895228214 264.8948803 462.18518 461.7031022 377.7293897 256.3092531 388.2193525 117.049815 489.7470887 438.8900161 440.1789841 288.8214374 319.6739929 502.7833672 436.1288711 390.1535631 347.7123592 214.9047371 706.5463321 564.3096489 602.0520638 252.4633232 254.6175284 528.9656284 274.2064084 444.4349783 755.7000359 244.0922817 421.5320536 612.0563171 574.8038461 328.1377535 859.956829 444.2879899 452.1026587 435.8227526 752.0032996 241.0172582 342.5483715 255.9322149 365.5741179 615.6802413 628.3991854 684.0332065 557.805309 470.7248646 193.3254354 470.7525003 581.3023693 341.5850815 392.5781977 341.3225198 443.646748 417.7423166 328.61484 331.2802275 300.6211408 730.8340652 573.5521263 235.2191682 452.5860686 163.8361564 343.6000437 404.573594 456.3066748 497.1211158 392.9224066 271.720172 292.122262 426.95259 613.644791 331.0549462 320.8304155 707.7643181 352.6590808 506.4241769 426.6379454 303.7921155 321.708255 455.4159276 321.5067013 459.7773828 801.4169172 320.295341 270.909519 305.4497663 322.2137251 246.0730631 445.9524985 667.1288127 495.5785932 263.4643002 406.7114271 366.4344062 222.4109015 468.6040403 362.3392262 278.6158512 598.1727108 382.6197497 402.3699718 394.9828366 314.8307073 279.6333033 401.8772051 295.6567263 213.667869 354.9353445 439.1253771 495.4000484 364.6004364 272.3246715 352.3955551 467.3611008 517.7190151 479.1204349 414.4228121 325.7899446 244.2391451 279.0849724 225.1687321 251.5240706 314.1935569 556.2691505 No_result_found_in_bank_inhouse 200.074278 [(M-H)+(HCOOH)]- (13C) (18O) 1958 L-Arabitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N 2605 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.85]; fullscan high no curation splash10-0002-0900000000-fb0fe087eb43f8ed4349 +M200T47 M200.0732T0.79 200.0732439 200.071512 200.0744583 0.788876278 0.771650033 0.805916667 0 102 0 102 [33][M+1]- 16 Inf 52.09658324 0 1 1 0.342452677 0.237981624 1 422.0666832 144.5378655 0.342452677 387.5897524 92.23923857 0.237981624 0.694932876 0.822704372 8.05E-07 181.8262305 642.3934757 460.5672452 0.882970209 0.882623659 0.797864997 0.882024684 0.799360927 0.895228214 0.516587555 0.774750826 0.515934883 0.774092083 0.895228214 264.8948803 462.18518 461.7031022 377.7293897 256.3092531 388.2193525 117.049815 489.7470887 438.8900161 440.1789841 288.8214374 319.6739929 502.7833672 436.1288711 390.1535631 347.7123592 214.9047371 706.5463321 564.3096489 602.0520638 252.4633232 254.6175284 528.9656284 274.2064084 444.4349783 755.7000359 244.0922817 421.5320536 612.0563171 574.8038461 328.1377535 859.956829 444.2879899 452.1026587 435.8227526 752.0032996 241.0172582 342.5483715 255.9322149 365.5741179 615.6802413 628.3991854 684.0332065 557.805309 470.7248646 193.3254354 470.7525003 581.3023693 341.5850815 392.5781977 341.3225198 443.646748 417.7423166 328.61484 331.2802275 300.6211408 730.8340652 573.5521263 235.2191682 452.5860686 163.8361564 343.6000437 404.573594 456.3066748 497.1211158 392.9224066 271.720172 292.122262 426.95259 613.644791 331.0549462 320.8304155 707.7643181 352.6590808 506.4241769 426.6379454 303.7921155 321.708255 455.4159276 321.5067013 459.7773828 801.4169172 320.295341 270.909519 305.4497663 322.2137251 246.0730631 445.9524985 667.1288127 495.5785932 263.4643002 406.7114271 366.4344062 222.4109015 468.6040403 362.3392262 278.6158512 598.1727108 382.6197497 402.3699718 394.9828366 314.8307073 279.6333033 401.8772051 295.6567263 213.667869 354.9353445 439.1253771 495.4000484 364.6004364 272.3246715 352.3955551 467.3611008 517.7190151 479.1204349 414.4228121 325.7899446 244.2391451 279.0849724 225.1687321 251.5240706 314.1935569 556.2691505 No_result_found_in_bank_inhouse 200.074278 [(M-H)+(HCOOH)]- (13C) (18O) 1958 L-Arabitol 152.068473484 C5H12O5 HEBKCHPVOIAQTA-IMJSIDKUSA-N 3458 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.68]; fullscan high no curation splash10-0002-0900000000-fb0fe087eb43f8ed4349 +M202T56 M201.802T0.93 201.8019737 201.8009477 201.8027619 0.926099455 0.855704801 0.961072933 0 214 0 211 48 173.9686473 55.78050338 0 1 1 0.164394206 0.157598495 1 1053.255118 173.1490388 0.164394206 1016.936048 160.2675909 0.157598495 0.958662103 0.918560638 2.46E-10 688.7203487 1415.239443 726.5190943 0.983997193 0.983768152 0.81438186 0.982508504 0.810685871 0.507044165 0.650737349 0.669417015 0.642958223 0.659018736 0.507044165 867.1883056 918.708319 1113.145573 888.1667554 1108.249299 1164.089112 1042.019108 930.1226882 901.1614444 1257.410393 1509.418442 825.1105895 1078.358294 798.1975555 1240.404946 1254.197163 1156.28033 1125.217856 946.8312793 1068.938474 1024.178579 953.229815 1015.253717 827.826107 991.0900541 1131.592371 1201.017199 978.7342678 1300.371354 1136.376804 908.2063602 1164.210146 1010.317458 1148.126611 1058.756124 1283.477208 972.5845292 967.7049474 879.0719205 1140.57966 1019.056697 911.3120014 1075.898275 1382.503642 1174.630512 1101.487802 954.1452332 1102.205217 1171.087874 839.4389634 751.0391977 1033.701029 1074.714257 1166.275755 1316.234652 1276.071898 998.1331989 1091.000858 1080.6452 1186.111824 952.4462076 832.5104806 1613.572773 1342.179197 858.3108928 935.7772129 1231.172849 1080.537763 751.9337792 1209.74401 951.8327597 1040.305928 1009.312898 1017.220101 1222.909062 885.8960035 1306.035197 857.6806936 955.4298023 1235.563629 1314.453838 1352.69868 1040.143982 1270.425038 870.4365686 845.6922101 1470.681672 1214.367141 1036.086145 1405.465505 1217.373374 1040.794755 1032.646488 981.9990717 940.7501267 1232.659328 948.2572558 1060.34405 679.0520198 1014.100775 1016.185559 923.537956 1098.359564 866.4663398 1117.129301 972.503613 1087.380721 916.2368894 1151.506587 988.1243116 645.0342132 938.2022771 1308.450189 1179.823866 1354.651974 964.1875697 1352.417796 1335.176652 969.7187466 1049.878002 1221.5098 784.3288525 984.2818771 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M204T55 M204.0045T0.91 204.0044756 204.0030689 204.0060338 0.908424748 0.891493431 0.926481948 0 76 0 76 45 70.79898862 26.02508469 0 1 1 0.46740247 0.299933291 1 484.8457935 226.6181213 0.46740247 417.3090585 125.1648794 0.299933291 0.64170241 0.805754248 2.02E-06 166.3177061 795.1337322 628.816026 0.002366241 0.002286493 0.827439128 0.002442979 0.823823737 0.914336373 0.020138886 0.2736313 0.021319837 0.271542492 0.914336373 191.7786543 234.8723936 537.5561756 744.5628633 235.7212233 340.1602501 268.5571242 264.5582961 609.0334911 349.958639 375.815473 701.1803154 482.7396437 445.3982442 350.8490641 649.8302225 1191.099107 343.4233271 835.6593866 468.4904291 470.5721474 523.8115266 664.2500959 416.175575 624.7227508 789.3660962 453.7628611 541.4692543 852.0487867 425.483733 788.935546 686.630297 591.7578319 689.9799119 621.6246916 677.0758425 614.4636451 889.4639227 234.827785 417.2902975 540.2046914 741.7242138 634.8094725 921.0741628 608.0976829 410.081877 723.4890608 544.9939928 1037.97279 808.4831769 540.7501837 685.6951988 466.844909 145.0989476 575.6581571 666.3087225 1461.463847 546.7257965 221.9707086 807.9258288 323.4090199 1371.396894 354.9389526 503.0148137 184.6078991 289.2704994 479.2017303 284.6151042 704.6535568 313.2300781 505.2106857 448.4452699 225.2926815 343.0149646 356.1258538 338.2724972 289.244424 372.8928621 340.4432659 752.7221936 530.0602974 521.9522981 611.0714141 344.6527478 394.0961113 441.6025036 276.5354879 255.6719385 1098.306177 388.4935758 315.4748881 250.5645074 648.3416287 742.0295701 292.8020969 786.579719 332.7467517 530.5947373 723.4847354 196.409594 654.7489803 339.8869702 689.0759836 245.6594162 516.8073827 377.2189091 638.0950551 199.0756887 920.5061411 424.9495053 217.9905673 732.411441 393.349375 288.6742333 497.5474439 531.3920228 472.9527276 333.815584 384.4481518 555.8370399 457.1046317 512.4607602 230.1172591 No_result_found_in_bank_inhouse 204.004506 [(M-H)+(NaCl)]- 1844 D-Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-GSVOUGTGSA-N 969 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.9]; fullscan high no curation splash10-0002-0930000000-4192eded7a16720fbdc0 +M204T55 M204.0045T0.91 204.0044756 204.0030689 204.0060338 0.908424748 0.891493431 0.926481948 0 76 0 76 45 70.79898862 26.02508469 0 1 1 0.46740247 0.299933291 1 484.8457935 226.6181213 0.46740247 417.3090585 125.1648794 0.299933291 0.64170241 0.805754248 2.02E-06 166.3177061 795.1337322 628.816026 0.002366241 0.002286493 0.827439128 0.002442979 0.823823737 0.914336373 0.020138886 0.2736313 0.021319837 0.271542492 0.914336373 191.7786543 234.8723936 537.5561756 744.5628633 235.7212233 340.1602501 268.5571242 264.5582961 609.0334911 349.958639 375.815473 701.1803154 482.7396437 445.3982442 350.8490641 649.8302225 1191.099107 343.4233271 835.6593866 468.4904291 470.5721474 523.8115266 664.2500959 416.175575 624.7227508 789.3660962 453.7628611 541.4692543 852.0487867 425.483733 788.935546 686.630297 591.7578319 689.9799119 621.6246916 677.0758425 614.4636451 889.4639227 234.827785 417.2902975 540.2046914 741.7242138 634.8094725 921.0741628 608.0976829 410.081877 723.4890608 544.9939928 1037.97279 808.4831769 540.7501837 685.6951988 466.844909 145.0989476 575.6581571 666.3087225 1461.463847 546.7257965 221.9707086 807.9258288 323.4090199 1371.396894 354.9389526 503.0148137 184.6078991 289.2704994 479.2017303 284.6151042 704.6535568 313.2300781 505.2106857 448.4452699 225.2926815 343.0149646 356.1258538 338.2724972 289.244424 372.8928621 340.4432659 752.7221936 530.0602974 521.9522981 611.0714141 344.6527478 394.0961113 441.6025036 276.5354879 255.6719385 1098.306177 388.4935758 315.4748881 250.5645074 648.3416287 742.0295701 292.8020969 786.579719 332.7467517 530.5947373 723.4847354 196.409594 654.7489803 339.8869702 689.0759836 245.6594162 516.8073827 377.2189091 638.0950551 199.0756887 920.5061411 424.9495053 217.9905673 732.411441 393.349375 288.6742333 497.5474439 531.3920228 472.9527276 333.815584 384.4481518 555.8370399 457.1046317 512.4607602 230.1172591 No_result_found_in_bank_inhouse 204.004506 [(M-H)+(NaCl)]- 1843 Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N 1105 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.19]; fullscan high no curation splash10-0002-0902000000-a1b9a51c5f1d4a2dc21b +M204T55 M204.0045T0.91 204.0044756 204.0030689 204.0060338 0.908424748 0.891493431 0.926481948 0 76 0 76 45 70.79898862 26.02508469 0 1 1 0.46740247 0.299933291 1 484.8457935 226.6181213 0.46740247 417.3090585 125.1648794 0.299933291 0.64170241 0.805754248 2.02E-06 166.3177061 795.1337322 628.816026 0.002366241 0.002286493 0.827439128 0.002442979 0.823823737 0.914336373 0.020138886 0.2736313 0.021319837 0.271542492 0.914336373 191.7786543 234.8723936 537.5561756 744.5628633 235.7212233 340.1602501 268.5571242 264.5582961 609.0334911 349.958639 375.815473 701.1803154 482.7396437 445.3982442 350.8490641 649.8302225 1191.099107 343.4233271 835.6593866 468.4904291 470.5721474 523.8115266 664.2500959 416.175575 624.7227508 789.3660962 453.7628611 541.4692543 852.0487867 425.483733 788.935546 686.630297 591.7578319 689.9799119 621.6246916 677.0758425 614.4636451 889.4639227 234.827785 417.2902975 540.2046914 741.7242138 634.8094725 921.0741628 608.0976829 410.081877 723.4890608 544.9939928 1037.97279 808.4831769 540.7501837 685.6951988 466.844909 145.0989476 575.6581571 666.3087225 1461.463847 546.7257965 221.9707086 807.9258288 323.4090199 1371.396894 354.9389526 503.0148137 184.6078991 289.2704994 479.2017303 284.6151042 704.6535568 313.2300781 505.2106857 448.4452699 225.2926815 343.0149646 356.1258538 338.2724972 289.244424 372.8928621 340.4432659 752.7221936 530.0602974 521.9522981 611.0714141 344.6527478 394.0961113 441.6025036 276.5354879 255.6719385 1098.306177 388.4935758 315.4748881 250.5645074 648.3416287 742.0295701 292.8020969 786.579719 332.7467517 530.5947373 723.4847354 196.409594 654.7489803 339.8869702 689.0759836 245.6594162 516.8073827 377.2189091 638.0950551 199.0756887 920.5061411 424.9495053 217.9905673 732.411441 393.349375 288.6742333 497.5474439 531.3920228 472.9527276 333.815584 384.4481518 555.8370399 457.1046317 512.4607602 230.1172591 No_result_found_in_bank_inhouse 204.004506 [(M-H)+(NaCl)]- 2078 O-Acetyl-L-serine 147.053157773 C5H9NO4 VZXPDPZARILFQX-BYPYZUCNSA-N 1199 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.88]; fullscan high no curation splash10-0udj-0910000000-740eeee47f645afd4730 +M204T55 M204.0045T0.91 204.0044756 204.0030689 204.0060338 0.908424748 0.891493431 0.926481948 0 76 0 76 45 70.79898862 26.02508469 0 1 1 0.46740247 0.299933291 1 484.8457935 226.6181213 0.46740247 417.3090585 125.1648794 0.299933291 0.64170241 0.805754248 2.02E-06 166.3177061 795.1337322 628.816026 0.002366241 0.002286493 0.827439128 0.002442979 0.823823737 0.914336373 0.020138886 0.2736313 0.021319837 0.271542492 0.914336373 191.7786543 234.8723936 537.5561756 744.5628633 235.7212233 340.1602501 268.5571242 264.5582961 609.0334911 349.958639 375.815473 701.1803154 482.7396437 445.3982442 350.8490641 649.8302225 1191.099107 343.4233271 835.6593866 468.4904291 470.5721474 523.8115266 664.2500959 416.175575 624.7227508 789.3660962 453.7628611 541.4692543 852.0487867 425.483733 788.935546 686.630297 591.7578319 689.9799119 621.6246916 677.0758425 614.4636451 889.4639227 234.827785 417.2902975 540.2046914 741.7242138 634.8094725 921.0741628 608.0976829 410.081877 723.4890608 544.9939928 1037.97279 808.4831769 540.7501837 685.6951988 466.844909 145.0989476 575.6581571 666.3087225 1461.463847 546.7257965 221.9707086 807.9258288 323.4090199 1371.396894 354.9389526 503.0148137 184.6078991 289.2704994 479.2017303 284.6151042 704.6535568 313.2300781 505.2106857 448.4452699 225.2926815 343.0149646 356.1258538 338.2724972 289.244424 372.8928621 340.4432659 752.7221936 530.0602974 521.9522981 611.0714141 344.6527478 394.0961113 441.6025036 276.5354879 255.6719385 1098.306177 388.4935758 315.4748881 250.5645074 648.3416287 742.0295701 292.8020969 786.579719 332.7467517 530.5947373 723.4847354 196.409594 654.7489803 339.8869702 689.0759836 245.6594162 516.8073827 377.2189091 638.0950551 199.0756887 920.5061411 424.9495053 217.9905673 732.411441 393.349375 288.6742333 497.5474439 531.3920228 472.9527276 333.815584 384.4481518 555.8370399 457.1046317 512.4607602 230.1172591 No_result_found_in_bank_inhouse 204.004506 [(M-H)+(NaCl)]- 1843 Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N 1580 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.89]; fullscan high no curation splash10-0002-0902000000-a1b9a51c5f1d4a2dc21b +M204T55 M204.0045T0.91 204.0044756 204.0030689 204.0060338 0.908424748 0.891493431 0.926481948 0 76 0 76 45 70.79898862 26.02508469 0 1 1 0.46740247 0.299933291 1 484.8457935 226.6181213 0.46740247 417.3090585 125.1648794 0.299933291 0.64170241 0.805754248 2.02E-06 166.3177061 795.1337322 628.816026 0.002366241 0.002286493 0.827439128 0.002442979 0.823823737 0.914336373 0.020138886 0.2736313 0.021319837 0.271542492 0.914336373 191.7786543 234.8723936 537.5561756 744.5628633 235.7212233 340.1602501 268.5571242 264.5582961 609.0334911 349.958639 375.815473 701.1803154 482.7396437 445.3982442 350.8490641 649.8302225 1191.099107 343.4233271 835.6593866 468.4904291 470.5721474 523.8115266 664.2500959 416.175575 624.7227508 789.3660962 453.7628611 541.4692543 852.0487867 425.483733 788.935546 686.630297 591.7578319 689.9799119 621.6246916 677.0758425 614.4636451 889.4639227 234.827785 417.2902975 540.2046914 741.7242138 634.8094725 921.0741628 608.0976829 410.081877 723.4890608 544.9939928 1037.97279 808.4831769 540.7501837 685.6951988 466.844909 145.0989476 575.6581571 666.3087225 1461.463847 546.7257965 221.9707086 807.9258288 323.4090199 1371.396894 354.9389526 503.0148137 184.6078991 289.2704994 479.2017303 284.6151042 704.6535568 313.2300781 505.2106857 448.4452699 225.2926815 343.0149646 356.1258538 338.2724972 289.244424 372.8928621 340.4432659 752.7221936 530.0602974 521.9522981 611.0714141 344.6527478 394.0961113 441.6025036 276.5354879 255.6719385 1098.306177 388.4935758 315.4748881 250.5645074 648.3416287 742.0295701 292.8020969 786.579719 332.7467517 530.5947373 723.4847354 196.409594 654.7489803 339.8869702 689.0759836 245.6594162 516.8073827 377.2189091 638.0950551 199.0756887 920.5061411 424.9495053 217.9905673 732.411441 393.349375 288.6742333 497.5474439 531.3920228 472.9527276 333.815584 384.4481518 555.8370399 457.1046317 512.4607602 230.1172591 No_result_found_in_bank_inhouse 204.004506 [(M-H)+(NaCl)]- 2078 O-Acetyl-L-serine 147.053157773 C5H9NO4 VZXPDPZARILFQX-BYPYZUCNSA-N 1622 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.29]; fullscan high no curation splash10-0udj-0910000000-740eeee47f645afd4730 +M204T55 M204.0045T0.91 204.0044756 204.0030689 204.0060338 0.908424748 0.891493431 0.926481948 0 76 0 76 45 70.79898862 26.02508469 0 1 1 0.46740247 0.299933291 1 484.8457935 226.6181213 0.46740247 417.3090585 125.1648794 0.299933291 0.64170241 0.805754248 2.02E-06 166.3177061 795.1337322 628.816026 0.002366241 0.002286493 0.827439128 0.002442979 0.823823737 0.914336373 0.020138886 0.2736313 0.021319837 0.271542492 0.914336373 191.7786543 234.8723936 537.5561756 744.5628633 235.7212233 340.1602501 268.5571242 264.5582961 609.0334911 349.958639 375.815473 701.1803154 482.7396437 445.3982442 350.8490641 649.8302225 1191.099107 343.4233271 835.6593866 468.4904291 470.5721474 523.8115266 664.2500959 416.175575 624.7227508 789.3660962 453.7628611 541.4692543 852.0487867 425.483733 788.935546 686.630297 591.7578319 689.9799119 621.6246916 677.0758425 614.4636451 889.4639227 234.827785 417.2902975 540.2046914 741.7242138 634.8094725 921.0741628 608.0976829 410.081877 723.4890608 544.9939928 1037.97279 808.4831769 540.7501837 685.6951988 466.844909 145.0989476 575.6581571 666.3087225 1461.463847 546.7257965 221.9707086 807.9258288 323.4090199 1371.396894 354.9389526 503.0148137 184.6078991 289.2704994 479.2017303 284.6151042 704.6535568 313.2300781 505.2106857 448.4452699 225.2926815 343.0149646 356.1258538 338.2724972 289.244424 372.8928621 340.4432659 752.7221936 530.0602974 521.9522981 611.0714141 344.6527478 394.0961113 441.6025036 276.5354879 255.6719385 1098.306177 388.4935758 315.4748881 250.5645074 648.3416287 742.0295701 292.8020969 786.579719 332.7467517 530.5947373 723.4847354 196.409594 654.7489803 339.8869702 689.0759836 245.6594162 516.8073827 377.2189091 638.0950551 199.0756887 920.5061411 424.9495053 217.9905673 732.411441 393.349375 288.6742333 497.5474439 531.3920228 472.9527276 333.815584 384.4481518 555.8370399 457.1046317 512.4607602 230.1172591 No_result_found_in_bank_inhouse 204.004506 [(M-H)+(NaCl)]- 1203 N-methyl-D-aspartic acid 147.053157773 C5H9NO4 HOKKHZGPKSLGJE-GSVOUGTGSA-N 1806 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.86]; fullscan high no curation splash10-0002-0901000000-129a3b562f5f131bc2ef +M204T55 M204.0045T0.91 204.0044756 204.0030689 204.0060338 0.908424748 0.891493431 0.926481948 0 76 0 76 45 70.79898862 26.02508469 0 1 1 0.46740247 0.299933291 1 484.8457935 226.6181213 0.46740247 417.3090585 125.1648794 0.299933291 0.64170241 0.805754248 2.02E-06 166.3177061 795.1337322 628.816026 0.002366241 0.002286493 0.827439128 0.002442979 0.823823737 0.914336373 0.020138886 0.2736313 0.021319837 0.271542492 0.914336373 191.7786543 234.8723936 537.5561756 744.5628633 235.7212233 340.1602501 268.5571242 264.5582961 609.0334911 349.958639 375.815473 701.1803154 482.7396437 445.3982442 350.8490641 649.8302225 1191.099107 343.4233271 835.6593866 468.4904291 470.5721474 523.8115266 664.2500959 416.175575 624.7227508 789.3660962 453.7628611 541.4692543 852.0487867 425.483733 788.935546 686.630297 591.7578319 689.9799119 621.6246916 677.0758425 614.4636451 889.4639227 234.827785 417.2902975 540.2046914 741.7242138 634.8094725 921.0741628 608.0976829 410.081877 723.4890608 544.9939928 1037.97279 808.4831769 540.7501837 685.6951988 466.844909 145.0989476 575.6581571 666.3087225 1461.463847 546.7257965 221.9707086 807.9258288 323.4090199 1371.396894 354.9389526 503.0148137 184.6078991 289.2704994 479.2017303 284.6151042 704.6535568 313.2300781 505.2106857 448.4452699 225.2926815 343.0149646 356.1258538 338.2724972 289.244424 372.8928621 340.4432659 752.7221936 530.0602974 521.9522981 611.0714141 344.6527478 394.0961113 441.6025036 276.5354879 255.6719385 1098.306177 388.4935758 315.4748881 250.5645074 648.3416287 742.0295701 292.8020969 786.579719 332.7467517 530.5947373 723.4847354 196.409594 654.7489803 339.8869702 689.0759836 245.6594162 516.8073827 377.2189091 638.0950551 199.0756887 920.5061411 424.9495053 217.9905673 732.411441 393.349375 288.6742333 497.5474439 531.3920228 472.9527276 333.815584 384.4481518 555.8370399 457.1046317 512.4607602 230.1172591 No_result_found_in_bank_inhouse 204.004506 [(M-H)+(NaCl)]- 1203 N-methyl-D-aspartic acid 147.053157773 C5H9NO4 HOKKHZGPKSLGJE-GSVOUGTGSA-N 1970 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.9]; fullscan high no curation splash10-0002-0901000000-129a3b562f5f131bc2ef +M204T55 M204.0045T0.91 204.0044756 204.0030689 204.0060338 0.908424748 0.891493431 0.926481948 0 76 0 76 45 70.79898862 26.02508469 0 1 1 0.46740247 0.299933291 1 484.8457935 226.6181213 0.46740247 417.3090585 125.1648794 0.299933291 0.64170241 0.805754248 2.02E-06 166.3177061 795.1337322 628.816026 0.002366241 0.002286493 0.827439128 0.002442979 0.823823737 0.914336373 0.020138886 0.2736313 0.021319837 0.271542492 0.914336373 191.7786543 234.8723936 537.5561756 744.5628633 235.7212233 340.1602501 268.5571242 264.5582961 609.0334911 349.958639 375.815473 701.1803154 482.7396437 445.3982442 350.8490641 649.8302225 1191.099107 343.4233271 835.6593866 468.4904291 470.5721474 523.8115266 664.2500959 416.175575 624.7227508 789.3660962 453.7628611 541.4692543 852.0487867 425.483733 788.935546 686.630297 591.7578319 689.9799119 621.6246916 677.0758425 614.4636451 889.4639227 234.827785 417.2902975 540.2046914 741.7242138 634.8094725 921.0741628 608.0976829 410.081877 723.4890608 544.9939928 1037.97279 808.4831769 540.7501837 685.6951988 466.844909 145.0989476 575.6581571 666.3087225 1461.463847 546.7257965 221.9707086 807.9258288 323.4090199 1371.396894 354.9389526 503.0148137 184.6078991 289.2704994 479.2017303 284.6151042 704.6535568 313.2300781 505.2106857 448.4452699 225.2926815 343.0149646 356.1258538 338.2724972 289.244424 372.8928621 340.4432659 752.7221936 530.0602974 521.9522981 611.0714141 344.6527478 394.0961113 441.6025036 276.5354879 255.6719385 1098.306177 388.4935758 315.4748881 250.5645074 648.3416287 742.0295701 292.8020969 786.579719 332.7467517 530.5947373 723.4847354 196.409594 654.7489803 339.8869702 689.0759836 245.6594162 516.8073827 377.2189091 638.0950551 199.0756887 920.5061411 424.9495053 217.9905673 732.411441 393.349375 288.6742333 497.5474439 531.3920228 472.9527276 333.815584 384.4481518 555.8370399 457.1046317 512.4607602 230.1172591 No_result_found_in_bank_inhouse 204.004506 [(M-H)+(NaCl)]- 2078 O-Acetyl-L-serine 147.053157773 C5H9NO4 VZXPDPZARILFQX-BYPYZUCNSA-N 2152 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.92]; fullscan high no curation splash10-0udj-0910000000-740eeee47f645afd4730 +M204T55 M204.0045T0.91 204.0044756 204.0030689 204.0060338 0.908424748 0.891493431 0.926481948 0 76 0 76 45 70.79898862 26.02508469 0 1 1 0.46740247 0.299933291 1 484.8457935 226.6181213 0.46740247 417.3090585 125.1648794 0.299933291 0.64170241 0.805754248 2.02E-06 166.3177061 795.1337322 628.816026 0.002366241 0.002286493 0.827439128 0.002442979 0.823823737 0.914336373 0.020138886 0.2736313 0.021319837 0.271542492 0.914336373 191.7786543 234.8723936 537.5561756 744.5628633 235.7212233 340.1602501 268.5571242 264.5582961 609.0334911 349.958639 375.815473 701.1803154 482.7396437 445.3982442 350.8490641 649.8302225 1191.099107 343.4233271 835.6593866 468.4904291 470.5721474 523.8115266 664.2500959 416.175575 624.7227508 789.3660962 453.7628611 541.4692543 852.0487867 425.483733 788.935546 686.630297 591.7578319 689.9799119 621.6246916 677.0758425 614.4636451 889.4639227 234.827785 417.2902975 540.2046914 741.7242138 634.8094725 921.0741628 608.0976829 410.081877 723.4890608 544.9939928 1037.97279 808.4831769 540.7501837 685.6951988 466.844909 145.0989476 575.6581571 666.3087225 1461.463847 546.7257965 221.9707086 807.9258288 323.4090199 1371.396894 354.9389526 503.0148137 184.6078991 289.2704994 479.2017303 284.6151042 704.6535568 313.2300781 505.2106857 448.4452699 225.2926815 343.0149646 356.1258538 338.2724972 289.244424 372.8928621 340.4432659 752.7221936 530.0602974 521.9522981 611.0714141 344.6527478 394.0961113 441.6025036 276.5354879 255.6719385 1098.306177 388.4935758 315.4748881 250.5645074 648.3416287 742.0295701 292.8020969 786.579719 332.7467517 530.5947373 723.4847354 196.409594 654.7489803 339.8869702 689.0759836 245.6594162 516.8073827 377.2189091 638.0950551 199.0756887 920.5061411 424.9495053 217.9905673 732.411441 393.349375 288.6742333 497.5474439 531.3920228 472.9527276 333.815584 384.4481518 555.8370399 457.1046317 512.4607602 230.1172591 No_result_found_in_bank_inhouse 204.004506 [(M-H)+(NaCl)]- 1844 D-Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-GSVOUGTGSA-N 2229 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.88]; fullscan high no curation splash10-0002-0930000000-4192eded7a16720fbdc0 +M204T55 M204.0045T0.91 204.0044756 204.0030689 204.0060338 0.908424748 0.891493431 0.926481948 0 76 0 76 45 70.79898862 26.02508469 0 1 1 0.46740247 0.299933291 1 484.8457935 226.6181213 0.46740247 417.3090585 125.1648794 0.299933291 0.64170241 0.805754248 2.02E-06 166.3177061 795.1337322 628.816026 0.002366241 0.002286493 0.827439128 0.002442979 0.823823737 0.914336373 0.020138886 0.2736313 0.021319837 0.271542492 0.914336373 191.7786543 234.8723936 537.5561756 744.5628633 235.7212233 340.1602501 268.5571242 264.5582961 609.0334911 349.958639 375.815473 701.1803154 482.7396437 445.3982442 350.8490641 649.8302225 1191.099107 343.4233271 835.6593866 468.4904291 470.5721474 523.8115266 664.2500959 416.175575 624.7227508 789.3660962 453.7628611 541.4692543 852.0487867 425.483733 788.935546 686.630297 591.7578319 689.9799119 621.6246916 677.0758425 614.4636451 889.4639227 234.827785 417.2902975 540.2046914 741.7242138 634.8094725 921.0741628 608.0976829 410.081877 723.4890608 544.9939928 1037.97279 808.4831769 540.7501837 685.6951988 466.844909 145.0989476 575.6581571 666.3087225 1461.463847 546.7257965 221.9707086 807.9258288 323.4090199 1371.396894 354.9389526 503.0148137 184.6078991 289.2704994 479.2017303 284.6151042 704.6535568 313.2300781 505.2106857 448.4452699 225.2926815 343.0149646 356.1258538 338.2724972 289.244424 372.8928621 340.4432659 752.7221936 530.0602974 521.9522981 611.0714141 344.6527478 394.0961113 441.6025036 276.5354879 255.6719385 1098.306177 388.4935758 315.4748881 250.5645074 648.3416287 742.0295701 292.8020969 786.579719 332.7467517 530.5947373 723.4847354 196.409594 654.7489803 339.8869702 689.0759836 245.6594162 516.8073827 377.2189091 638.0950551 199.0756887 920.5061411 424.9495053 217.9905673 732.411441 393.349375 288.6742333 497.5474439 531.3920228 472.9527276 333.815584 384.4481518 555.8370399 457.1046317 512.4607602 230.1172591 No_result_found_in_bank_inhouse 204.004506 [(M-H)+(NaCl)]- 1843 Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-VKHMYHEASA-N 2275 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.31]; fullscan high no curation splash10-0002-0902000000-a1b9a51c5f1d4a2dc21b +M204T55 M204.0045T0.91 204.0044756 204.0030689 204.0060338 0.908424748 0.891493431 0.926481948 0 76 0 76 45 70.79898862 26.02508469 0 1 1 0.46740247 0.299933291 1 484.8457935 226.6181213 0.46740247 417.3090585 125.1648794 0.299933291 0.64170241 0.805754248 2.02E-06 166.3177061 795.1337322 628.816026 0.002366241 0.002286493 0.827439128 0.002442979 0.823823737 0.914336373 0.020138886 0.2736313 0.021319837 0.271542492 0.914336373 191.7786543 234.8723936 537.5561756 744.5628633 235.7212233 340.1602501 268.5571242 264.5582961 609.0334911 349.958639 375.815473 701.1803154 482.7396437 445.3982442 350.8490641 649.8302225 1191.099107 343.4233271 835.6593866 468.4904291 470.5721474 523.8115266 664.2500959 416.175575 624.7227508 789.3660962 453.7628611 541.4692543 852.0487867 425.483733 788.935546 686.630297 591.7578319 689.9799119 621.6246916 677.0758425 614.4636451 889.4639227 234.827785 417.2902975 540.2046914 741.7242138 634.8094725 921.0741628 608.0976829 410.081877 723.4890608 544.9939928 1037.97279 808.4831769 540.7501837 685.6951988 466.844909 145.0989476 575.6581571 666.3087225 1461.463847 546.7257965 221.9707086 807.9258288 323.4090199 1371.396894 354.9389526 503.0148137 184.6078991 289.2704994 479.2017303 284.6151042 704.6535568 313.2300781 505.2106857 448.4452699 225.2926815 343.0149646 356.1258538 338.2724972 289.244424 372.8928621 340.4432659 752.7221936 530.0602974 521.9522981 611.0714141 344.6527478 394.0961113 441.6025036 276.5354879 255.6719385 1098.306177 388.4935758 315.4748881 250.5645074 648.3416287 742.0295701 292.8020969 786.579719 332.7467517 530.5947373 723.4847354 196.409594 654.7489803 339.8869702 689.0759836 245.6594162 516.8073827 377.2189091 638.0950551 199.0756887 920.5061411 424.9495053 217.9905673 732.411441 393.349375 288.6742333 497.5474439 531.3920228 472.9527276 333.815584 384.4481518 555.8370399 457.1046317 512.4607602 230.1172591 No_result_found_in_bank_inhouse 204.004506 [(M-H)+(NaCl)]- 1844 D-Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-GSVOUGTGSA-N 2638 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.31]; fullscan high no curation splash10-0002-0930000000-4192eded7a16720fbdc0 +M204T55 M204.0045T0.91 204.0044756 204.0030689 204.0060338 0.908424748 0.891493431 0.926481948 0 76 0 76 45 70.79898862 26.02508469 0 1 1 0.46740247 0.299933291 1 484.8457935 226.6181213 0.46740247 417.3090585 125.1648794 0.299933291 0.64170241 0.805754248 2.02E-06 166.3177061 795.1337322 628.816026 0.002366241 0.002286493 0.827439128 0.002442979 0.823823737 0.914336373 0.020138886 0.2736313 0.021319837 0.271542492 0.914336373 191.7786543 234.8723936 537.5561756 744.5628633 235.7212233 340.1602501 268.5571242 264.5582961 609.0334911 349.958639 375.815473 701.1803154 482.7396437 445.3982442 350.8490641 649.8302225 1191.099107 343.4233271 835.6593866 468.4904291 470.5721474 523.8115266 664.2500959 416.175575 624.7227508 789.3660962 453.7628611 541.4692543 852.0487867 425.483733 788.935546 686.630297 591.7578319 689.9799119 621.6246916 677.0758425 614.4636451 889.4639227 234.827785 417.2902975 540.2046914 741.7242138 634.8094725 921.0741628 608.0976829 410.081877 723.4890608 544.9939928 1037.97279 808.4831769 540.7501837 685.6951988 466.844909 145.0989476 575.6581571 666.3087225 1461.463847 546.7257965 221.9707086 807.9258288 323.4090199 1371.396894 354.9389526 503.0148137 184.6078991 289.2704994 479.2017303 284.6151042 704.6535568 313.2300781 505.2106857 448.4452699 225.2926815 343.0149646 356.1258538 338.2724972 289.244424 372.8928621 340.4432659 752.7221936 530.0602974 521.9522981 611.0714141 344.6527478 394.0961113 441.6025036 276.5354879 255.6719385 1098.306177 388.4935758 315.4748881 250.5645074 648.3416287 742.0295701 292.8020969 786.579719 332.7467517 530.5947373 723.4847354 196.409594 654.7489803 339.8869702 689.0759836 245.6594162 516.8073827 377.2189091 638.0950551 199.0756887 920.5061411 424.9495053 217.9905673 732.411441 393.349375 288.6742333 497.5474439 531.3920228 472.9527276 333.815584 384.4481518 555.8370399 457.1046317 512.4607602 230.1172591 No_result_found_in_bank_inhouse 204.004506 [(M-H)+(NaCl)]- 1844 D-Glutamic acid 147.053157773 C5H9NO4 WHUUTDBJXJRKMK-GSVOUGTGSA-N 3050 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.31]; fullscan high no curation splash10-0002-0930000000-4192eded7a16720fbdc0 +M204T55 M204.0045T0.91 204.0044756 204.0030689 204.0060338 0.908424748 0.891493431 0.926481948 0 76 0 76 45 70.79898862 26.02508469 0 1 1 0.46740247 0.299933291 1 484.8457935 226.6181213 0.46740247 417.3090585 125.1648794 0.299933291 0.64170241 0.805754248 2.02E-06 166.3177061 795.1337322 628.816026 0.002366241 0.002286493 0.827439128 0.002442979 0.823823737 0.914336373 0.020138886 0.2736313 0.021319837 0.271542492 0.914336373 191.7786543 234.8723936 537.5561756 744.5628633 235.7212233 340.1602501 268.5571242 264.5582961 609.0334911 349.958639 375.815473 701.1803154 482.7396437 445.3982442 350.8490641 649.8302225 1191.099107 343.4233271 835.6593866 468.4904291 470.5721474 523.8115266 664.2500959 416.175575 624.7227508 789.3660962 453.7628611 541.4692543 852.0487867 425.483733 788.935546 686.630297 591.7578319 689.9799119 621.6246916 677.0758425 614.4636451 889.4639227 234.827785 417.2902975 540.2046914 741.7242138 634.8094725 921.0741628 608.0976829 410.081877 723.4890608 544.9939928 1037.97279 808.4831769 540.7501837 685.6951988 466.844909 145.0989476 575.6581571 666.3087225 1461.463847 546.7257965 221.9707086 807.9258288 323.4090199 1371.396894 354.9389526 503.0148137 184.6078991 289.2704994 479.2017303 284.6151042 704.6535568 313.2300781 505.2106857 448.4452699 225.2926815 343.0149646 356.1258538 338.2724972 289.244424 372.8928621 340.4432659 752.7221936 530.0602974 521.9522981 611.0714141 344.6527478 394.0961113 441.6025036 276.5354879 255.6719385 1098.306177 388.4935758 315.4748881 250.5645074 648.3416287 742.0295701 292.8020969 786.579719 332.7467517 530.5947373 723.4847354 196.409594 654.7489803 339.8869702 689.0759836 245.6594162 516.8073827 377.2189091 638.0950551 199.0756887 920.5061411 424.9495053 217.9905673 732.411441 393.349375 288.6742333 497.5474439 531.3920228 472.9527276 333.815584 384.4481518 555.8370399 457.1046317 512.4607602 230.1172591 No_result_found_in_bank_inhouse 204.004506 [(M-H)+(NaCl)]- 2078 O-Acetyl-L-serine 147.053157773 C5H9NO4 VZXPDPZARILFQX-BYPYZUCNSA-N 3390 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.21]; fullscan high no curation splash10-0udj-0910000000-740eeee47f645afd4730 +M209T52 M208.8452T0.87 208.8452204 208.8438884 208.8454859 0.872852476 0.852276805 0.910213049 0 155 0 155 [M+2Cl]2- 347.739 33 1490.525811 53.34584651 0 1 1 0.245242124 0.230183878 1 18946.3412 4646.440958 0.245242124 17926.14575 4126.309744 0.230183878 0.938598452 0.942878574 5.58E-12 6666.864356 26410.65049 19743.78613 0.664534498 0.667645973 0.932203586 0.665130202 0.931766748 0.895228214 0.858375564 0.838977714 0.854180076 0.837982462 0.895228214 15349.85686 28197.20477 16462.28372 16118.48901 23153.42454 20061.78911 20639.21995 14915.09323 21656.13963 9190.642357 12205.06155 21469.39985 22128.8761 24782.84567 27279.93994 17888.24792 19342.21994 17127.22735 19971.77056 19023.91751 19728.57933 18569.29011 18384.31952 20103.31698 20102.98335 21069.21649 27131.37024 19819.82089 20143.61268 16682.88147 18637.69198 20032.06379 20230.33488 19111.71302 20591.81613 13298.09703 8504.937229 26884.98071 19085.14823 17745.17461 11930.26153 21332.98342 16636.12804 23613.47459 16465.49205 27126.47944 18285.58157 26549.08631 21397.46277 19874.66539 17765.3984 17099.11614 19365.62055 22605.11871 21860.57088 20601.48533 8753.745283 12704.07413 8069.268456 14054.46339 17846.60096 18638.88071 10272.20563 22973.5968 19864.31449 21126.8196 19316.20865 20699.8514 25090.51361 17372.43517 19580.96329 20508.17673 7488.230137 21889.61311 17032.26782 19180.36473 19283.80467 18022.81232 13217.75901 22963.39398 8960.140877 19738.97266 17566.73147 25510.81926 20266.72356 9583.789856 27183.40124 24522.78826 23984.89862 20034.98453 16659.03763 24975.84753 20243.67257 10418.77215 7642.678865 20561.05383 20711.15666 9938.54183 19557.9511 27738.32129 19821.74073 18186.17796 18254.35471 19481.82839 20720.87536 23301.78991 19259.49264 29480.4274 16443.33545 17387.53193 789.9432662 17976.24775 9255.56354 13876.77151 24634.96833 19179.86729 6950.465409 22858.58096 19263.77845 17398.27994 23686.6373 19936.19588 19988.62447 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse 210.065094 [(M+Cl)]- 1838 L-citrulline 175.095691291 C6H13N3O3 RHGKLRLOHDJJDR-BYPYZUCNSA-N 1360 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.91]; fullscan high no curation splash10-00di-0921000000-198c8871e5469524eb57 +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse 210.065094 [(M+Cl)]- 1838 L-citrulline 175.095691291 C6H13N3O3 RHGKLRLOHDJJDR-BYPYZUCNSA-N 1715 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.3]; fullscan high no curation splash10-00di-0921000000-198c8871e5469524eb57 +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse 210.065094 [(M+Cl)]- 1838 L-citrulline 175.095691291 C6H13N3O3 RHGKLRLOHDJJDR-BYPYZUCNSA-N 3177 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.32]; fullscan high no curation splash10-00di-0921000000-198c8871e5469524eb57 +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse 210.065094 [(M+Cl)]- 1838 L-citrulline 175.095691291 C6H13N3O3 RHGKLRLOHDJJDR-BYPYZUCNSA-N 3200 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.85]; fullscan high no curation splash10-00di-0921000000-198c8871e5469524eb57 +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse 210.070034 [(M-H)+(HCOOH)]- (13C) 1230 1,5-anhydro-D-glucitol 164.068473484 C6H12O5 MPCAJMNYNOGXPB-SLPGGIOYSA-N 871 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.87]; fullscan high no curation splash10-0a4i-0190000000-362cdf900c10716a477e +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse 210.070034 [(M-H)-(C11H18O9)]- (13C) 1133 maltotriose 504.169034944 C18H32O16 FYGDTMLNYKFZSV-DZOUCCHMSA-N 994 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.67]; fullscan high no curation splash10-052b-0040091000-a575aa104e1246bcb179 +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse 210.070034 [(M-H)+(HCOOH)]- (13C) 1148 L-rhamnose 164.068473484 C6H12O5 SHZGCJCMOBCMKK-JFNONXLTSA-N 1019 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.87]; fullscan high no curation splash10-0bt9-0590000000-eb2fe0eaea15227f664c +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse 210.070034 [(M-H)-(C11H18O9)]- (13C) 1133 maltotriose 504.169034944 C18H32O16 FYGDTMLNYKFZSV-DZOUCCHMSA-N 1253 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.56]; fullscan high no curation splash10-052b-0040091000-a575aa104e1246bcb179 +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse 210.070034 [(M-H)+(HCOOH)]- (13C) 1148 L-rhamnose 164.068473484 C6H12O5 SHZGCJCMOBCMKK-JFNONXLTSA-N 1628 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.75]; fullscan high no curation splash10-0bt9-0590000000-eb2fe0eaea15227f664c +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse 210.070034 [(M-H)+(HCOOH)]- (13C) 1230 1,5-anhydro-D-glucitol 164.068473484 C6H12O5 MPCAJMNYNOGXPB-SLPGGIOYSA-N 1788 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.7]; fullscan high no curation splash10-0a4i-0190000000-362cdf900c10716a477e +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse 210.070034 [(M-H)+(HCOOH)]- (13C) 1148 L-rhamnose 164.068473484 C6H12O5 SHZGCJCMOBCMKK-JFNONXLTSA-N 2455 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.95]; fullscan high no curation splash10-0bt9-0590000000-eb2fe0eaea15227f664c +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse 210.070034 [(M-H)+(HCOOH)]- (13C) 1148 L-rhamnose 164.068473484 C6H12O5 SHZGCJCMOBCMKK-JFNONXLTSA-N 2978 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.95]; fullscan high no curation splash10-0bt9-0590000000-eb2fe0eaea15227f664c +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse 210.070034 [(M-H)+(HCOOH)]- (13C) 1230 1,5-anhydro-D-glucitol 164.068473484 C6H12O5 MPCAJMNYNOGXPB-SLPGGIOYSA-N 3116 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.91]; fullscan high no curation splash10-0a4i-0190000000-362cdf900c10716a477e +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse 210.070034 [(M-H)-(C11H18O9)]- (13C) 1133 maltotriose 504.169034944 C18H32O16 FYGDTMLNYKFZSV-DZOUCCHMSA-N 3259 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.96]; fullscan high no curation splash10-052b-0040091000-a575aa104e1246bcb179 +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse 210.070034 [(M-H)+(HCOOH)]- (13C) 1230 1,5-anhydro-D-glucitol 164.068473484 C6H12O5 MPCAJMNYNOGXPB-SLPGGIOYSA-N 3261 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.78]; fullscan high no curation splash10-0a4i-0190000000-362cdf900c10716a477e +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse 210.070034 [(M-H)+(HCOOH)]- (13C) 1142 L-Fucose 164.068473484 C6H12O5 SHZGCJCMOBCMKK-DHVFOXMCSA-N 3376 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.0]; fullscan high no curation splash10-0a4i-0390000000-a418c1f42033b8223f06 +M210T55 M210.0651T0.91 210.0650949 210.0639076 210.0660325 0.912474118 0.894633703 0.927904862 0 100 0 100 [M+Cl]- 175.095 45 Inf 34.53440104 0 1 1 0.44781779 0.214968173 1 552.4591968 247.4010564 0.44781779 493.5901773 106.1061786 0.214968173 0.480034911 0.905467323 1.19E-09 290.8082115 743.8125292 453.0043177 0.706263168 0.709390522 0.954070595 0.709252557 0.953727557 0.895228214 0.993606802 0.701776405 0.993690738 0.701953625 0.895228214 681.8343047 570.3488824 359.154853 462.7503499 779.288009 173.7361111 533.4433951 428.9194601 592.2330305 385.5879346 618.9249222 750.0491346 226.8297506 237.2787636 157.013052 337.5135839 443.780009 646.3888241 612.7709923 324.0078585 631.8742093 541.3027219 926.9053927 217.9864399 572.0944985 318.5991497 378.2253947 392.416474 466.5709241 921.4181655 549.5488268 262.1094506 482.6769701 437.3323131 575.5803654 1021.088865 220.713638 571.2177526 692.684292 533.5843381 572.5975689 384.0772328 522.1997734 649.9064748 610.9632834 122.3499102 624.8116887 410.2074732 557.7760979 366.2354507 737.7125637 652.2171492 558.3175999 362.3305151 626.4436282 588.6930581 660.7796577 198.0478218 268.1185876 418.0905692 711.7394937 321.8986155 1394.741477 633.2218917 466.5649557 679.1459237 568.2392543 331.9834747 473.8511075 529.0944128 976.4875501 514.5873786 260.8317966 362.3163237 497.2971786 507.7139044 652.5175349 341.8366552 479.8425239 336.9383532 1494.168518 1069.042095 388.0200228 310.9497787 322.8659553 653.784603 248.2852366 361.4373425 498.217222 661.1173957 821.9529453 381.6824818 744.2121551 923.5889008 204.1754403 773.3916025 392.0411857 471.655802 613.7028129 433.3948476 543.1013988 537.3398066 720.9473727 352.5308508 481.6755567 357.5634547 615.0847214 506.6558591 721.3767288 612.8215218 710.6507576 792.359087 952.77402 520.8805438 493.5855178 831.2151905 378.8409577 1104.17478 347.6244425 817.4220773 1111.301639 528.2539618 224.9510038 No_result_found_in_bank_inhouse 210.070034 [(M-H)+(HCOOH)]- (13C) 1142 L-Fucose 164.068473484 C6H12O5 SHZGCJCMOBCMKK-DHVFOXMCSA-N 3708 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.8]; fullscan high no curation splash10-0a4i-0390000000-a418c1f42033b8223f06 +M211T52 M210.8423T0.87 210.8422525 210.8416349 210.8434142 0.872860572 0.85820689 0.902016362 0 160 0 160 [M-H]- 211.848 33 Inf 54.04358157 0 1 1 0.239443258 0.228677924 1 24372.13121 5835.742496 0.239443258 23186.03705 5302.134811 0.228677924 0.955040145 0.941858109 6.75E-12 9104.604827 32733.77054 23629.16572 0.964270498 0.965106406 0.960978827 0.965065515 0.961195795 0.895228214 0.954973042 0.989714906 0.954931558 0.98888698 0.895228214 20400.91704 35454.50778 22158.80979 21021.24062 33261.60248 27888.52477 31416.66305 18783.27465 26865.78874 10309.08323 15051.9707 22718.39127 26502.37193 31618.56972 37710.61048 20272.91645 25308.28312 22534.2095 24482.88712 25975.28935 24838.54086 23310.45798 24909.93831 26056.98787 23222.25515 26200.08814 33855.93615 23301.51774 25206.12413 21896.39952 26218.1865 28578.85605 27177.98058 23317.96077 26839.67234 16091.93672 10686.34959 35443.59372 23032.53493 21355.62712 16589.11257 23788.29141 23057.10766 28056.40977 22092.47859 31025.99386 22282.62457 33107.07225 25534.34025 25238.08113 23444.90157 23553.83165 23942.89917 27675.45809 27756.02477 25491.46129 10756.7521 16319.52072 9324.744672 17803.51817 21232.79488 22894.03813 14601.75824 31304.54047 26152.17704 29138.09737 21983.7871 25883.84356 30741.65053 24213.00254 24811.71877 25376.62252 10101.47254 26458.07484 22513.72221 24560.59189 23583.28485 24774.87903 17122.01972 28685.9832 12157.18907 22226.3944 22229.31224 35588.44713 24423.58201 11540.3436 36261.44375 32921.34292 32882.33747 25167.89437 20770.88379 32664.29781 24033.23159 13480.12764 10222.76939 26721.95951 22663.77515 14055.21673 22166.3347 33918.23188 26439.00162 27457.22358 22679.88274 26558.97338 26446.49819 28958.94399 24728.51333 36311.97769 20543.03869 22224.36817 30729.76404 24374.63205 12121.64662 18336.8077 33358.07867 23716.44166 8998.217861 26851.5855 23790.22124 24041.82929 29867.6697 22908.54917 25696.66008 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M213T52 M212.8393T0.87 212.8392974 212.8376739 212.8400937 0.872848003 0.840138361 0.915111469 0 158 0 158 [M-2H]2- 427.681 33 Inf 52.70314965 0 1 1 0.250234234 0.231639899 1 11810.23055 2955.323994 0.250234234 11149.3554 2582.635555 0.231639899 0.92569228 0.936154253 1.84E-11 4409.54173 17062.10331 12652.56158 0.975939116 0.975977533 0.955954924 0.975955476 0.955848332 0.895228214 0.954571933 0.989714906 0.954462699 0.98888698 0.895228214 10044.43498 17769.3211 10126.94205 10301.4204 15349.57228 12537.08625 15371.13714 7847.694068 12927.14322 5634.043495 7333.992713 11620.92795 13784.72158 15311.07063 16708.42345 9570.945042 11637.34944 11083.88359 12600.10713 11419.68139 11727.33686 11614.81885 12659.2075 10967.09333 12238.77052 12602.18183 16536.58373 12668.81066 10922.24128 10651.2684 12208.93447 13434.14348 11959.39818 12230.19104 12863.49932 7177.63803 4708.75693 19653.02348 11617.17051 10659.15132 7840.036486 11988.80057 11368.84048 13775.30723 11037.69204 17910.79528 11294.13612 15594.18399 14190.1211 12078.93336 11041.01271 10544.95618 11230.75293 14593.27501 12973.77572 12650.72173 5823.590814 7989.360911 4266.246506 7827.594591 11577.72261 11687.99329 6729.010058 15760.85806 11663.56012 13415.44377 11033.91807 11885.9488 16639.31622 11432.12487 12136.23808 13103.45277 4990.47163 11824.49013 11333.34671 12241.42884 12582.19097 11633.60779 7557.741023 14748.45861 6161.049166 11348.25763 11681.16087 16546.7601 12429.99055 5130.026557 15821.13907 14539.24645 15866.24547 11982.18141 10605.78297 15502.09624 12890.57473 6598.494721 5733.918443 11640.34128 12266.61125 7890.044979 9886.0283 15905.26874 11975.67856 10875.116 11762.51364 11582.4967 12329.78806 16804.76925 10903.51982 17252.26738 9519.296436 11878.17801 15560.01653 11550.44844 5851.216347 10022.90475 15668.22891 11408.41327 5657.421844 13719.53104 11841.21369 11590.64887 16057.48516 11338.18193 12782.58186 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M327T880 M327.1818T14.67 327.1817973 327.1795244 327.1853449 14.67099532 14.63062202 14.69347534 0 155 0 155 [126][M+1]- 20 4.96414665 38.75093603 0 1 1 0.157342027 0.13434593 1 729.5190972 114.7840132 0.157342027 723.5378038 97.20435948 0.13434593 0.853846448 0.897353347 2.84E-09 507.3122442 930.8530417 423.5407974 0.479069688 0.480960849 0.917465563 0.481570469 0.916454701 0.896173123 0.701085511 0.823885858 0.70256633 0.82050464 0.896173123 639.9451121 692.9409885 819.607184 680.3407636 765.0015567 886.7134798 651.2489525 711.2009588 976.2578715 610.5476535 773.0320358 588.0333708 747.2763265 512.1245653 694.77543 684.009992 773.3971061 657.6244044 861.7762834 697.486916 566.2729401 762.387887 839.4563167 766.6105081 669.6561249 659.5287568 524.5397888 624.6910706 800.8776975 655.6984992 818.0672994 684.7481978 633.7216882 624.939066 820.0957748 702.9003086 716.0265221 865.5151633 910.8285236 871.9451508 714.6271999 827.7268904 807.3003448 658.0737862 813.3491708 809.7412085 776.9695319 560.912031 587.1971074 644.3954121 742.0489732 848.3803902 551.7301612 783.7129037 662.792033 585.6959428 649.2131335 582.8119738 650.2151888 941.2730022 785.495116 871.8013006 665.0222079 753.2725447 762.1630943 761.8688988 791.9922173 621.2798235 609.7117508 612.5664947 981.1007449 707.7264324 1036.613117 729.4253227 438.3679309 732.6780354 938.4531998 995.1577447 819.5711558 487.716534 834.9199875 695.6102348 935.8362115 755.8750355 730.2233527 663.2146647 628.7876768 855.2564116 750.0493725 630.2535299 773.7693887 722.3954017 671.0846046 727.1324551 658.8221594 867.9998474 792.2531334 698.4681516 592.3296064 715.3545069 618.9606876 724.6253546 645.2671541 784.0696241 655.032123 845.8558358 801.8042047 803.8255244 801.8341492 785.9568681 839.9648824 616.562511 626.18364 662.0069793 649.9730897 572.1985696 556.6073467 819.3857577 650.9589958 633.5375039 663.1456022 874.3908298 634.0002756 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M327T1067 M327.233T17.78 327.2330332 327.2310446 327.2338567 17.78115087 17.77448711 17.79692278 0 83 0 83 [128][M]- [M-H]- 328.24 76 67.1129061 31.07183846 0 0 0 0.596281258 0.134851202 1 6997.929998 4172.734504 0.596281258 6672.274924 899.7642919 0.134851202 0.226153682 0.974139811 1.06E-15 4644.556166 8830.852188 4186.296022 0.435247538 0.437791455 0.975899244 0.43998644 0.975003761 0.915966112 0.878882639 0.6180405 0.882245831 0.622770261 0.915966112 9580.93171 2776.836463 4610.485339 10523.7312 1902.327312 4188.976566 5393.886068 8921.072975 3752.83186 11485.22018 6211.17425 8853.055597 5979.05145 2382.767525 3679.416277 4648.933829 3896.158525 6011.440678 3440.145715 7996.543646 6611.719469 3763.737627 2641.890163 6047.531842 9549.225298 11865.65847 9080.859832 3041.950481 4034.618142 23337.51827 6327.294302 12504.40121 5953.140068 5149.494345 2113.139114 5409.001041 4672.68593 4261.342737 2528.120096 4697.211702 4298.050528 3256.197034 5576.598368 4576.597887 6348.742757 5634.645995 3055.938604 6968.002539 16944.96434 6217.254401 5260.466788 2915.124832 2385.441242 9583.972504 7753.981133 4445.425488 10830.95777 16826.20384 10847.15239 17744.97827 7697.839805 7848.269542 5329.107613 10813.68352 6464.889867 19566.33251 6594.00118 5482.411673 4488.067331 4854.811221 3096.03789 3092.091613 4556.084709 10506.94545 8039.440556 4404.393661 5926.301442 4811.91431 13202.92889 7213.081029 4465.394872 5226.541725 7163.784057 6187.422149 2779.90631 6484.323404 10822.32065 10940.00151 4908.047651 3815.027412 12753.43801 2354.696861 7184.299971 3689.133046 23608.50814 5128.978432 17101.87917 6808.215682 13104.68156 6463.810226 3938.122894 5524.376042 21127.66097 12834.56912 5261.399329 6527.509041 2040.400874 6107.528721 6766.109686 7781.126552 8248.456678 4767.152317 4950.153648 12769.99288 8311.075852 7552.653876 8893.002311 3611.398899 21444.72509 6968.882876 2746.606517 5878.644844 6769.348609 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M327T1164 M327.2905T19.4 327.290509 327.2885427 327.2925023 19.40069257 19.23238136 19.42589517 0 281 0 212 677 3.004378365 8.37436205 0.000141515 1 1 0.447863989 0.18446358 1 597.645402 267.6638535 0.447863989 576.4362734 106.3314984 0.18446358 0.411874105 0.886401669 8.21E-09 381.6769085 936.0928914 554.4159829 0.625294838 0.625438614 0.90646818 0.629031279 0.905542086 0.926511606 0.932121346 0.575755977 0.933537508 0.578321875 0.926511606 649.4718017 215.5684962 1246.249505 872.1569338 867.9531457 597.8783048 602.5792826 1113.531702 539.1901352 1122.303293 663.7227181 1214.805531 430.3385229 271.2245171 431.7247369 459.1743437 275.9136578 165.1460088 401.8219507 366.4910552 239.4975315 928.1709107 397.5368862 1013.972806 658.8259762 663.3828503 417.2609568 358.0426078 828.3872806 886.7932638 546.328089 1080.326689 833.4449084 762.0321541 274.6144806 320.9481553 192.8751526 361.9012051 335.5141527 824.029974 507.263194 668.031846 367.6159445 748.5300014 549.5378024 482.2061286 438.0100466 534.4605947 546.8424759 605.1977943 670.0448762 379.3937378 333.7430539 255.4694694 515.6598472 514.5196243 1110.641582 681.1026723 353.3312085 1056.302607 316.3876591 401.1414455 809.7677863 736.1920006 358.9109101 818.8601961 482.9886365 803.6438457 841.1722759 518.2422155 785.1673806 375.5981461 1362.065121 404.6083994 964.5381132 280.7929096 748.8734118 709.5078033 633.6199187 417.8971139 245.6660215 542.2697573 514.7579375 376.6382017 486.0379189 620.2226704 1091.912273 602.7132553 889.2397871 834.325733 509.5524677 639.7445614 825.9623412 591.2870111 608.1811882 675.8072018 860.3822486 749.1724158 410.4159537 597.1583235 317.8302331 325.3701161 1037.310363 462.3352281 507.1213845 1264.816692 578.5213499 422.1378626 426.2365737 556.6127368 526.6755187 294.6356673 580.8102481 1075.319188 607.1588118 677.7321266 422.3490835 627.5205263 756.0582777 613.1365157 193.9030346 460.2757538 512.6277152 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M328T1067 M328.2364T17.78 328.2363929 328.2345032 328.2374721 17.78198951 17.77111255 17.79697547 0 131 0 131 [128][M+1]- 76 51.09798707 31.39737949 0 1 1 0.576814449 0.146606351 1 1696.091293 978.3299651 0.576814449 1668.471874 244.6085732 0.146606351 0.254165531 0.971498322 3.05E-15 1077.004496 2302.095392 1225.090896 0.637809042 0.639419382 0.907981747 0.643704302 0.905542086 0.926511606 0.78391398 0.760612007 0.785080257 0.760108242 0.926511606 2213.158439 701.756711 899.6678623 3124.041072 493.1360688 791.540363 1644.566658 1343.872002 737.7343716 3212.537142 1322.113425 2554.713332 1882.702726 796.9828177 938.3302001 1210.412256 1098.058648 1461.525125 677.6820872 1923.72363 1908.661517 849.5653096 580.4484604 1501.517912 2000.744292 2560.569647 2546.714499 807.0015743 997.0512003 5259.165693 1372.621824 2649.495541 1454.612695 1208.094265 606.56265 1498.708908 1387.195657 1075.045306 437.5322663 992.7452742 949.073199 766.904445 1364.906798 1042.244114 1371.705634 1490.302833 665.5832368 1688.935594 4007.779069 1762.72568 1275.917792 624.6214947 552.9756771 3381.694986 2055.191962 1227.067677 2882.146301 3951.35434 3413.990786 4734.75917 1675.063649 1673.95045 1678.072718 3036.148896 1466.257877 4465.358589 969.6110915 1472.91117 1287.163599 1074.195903 788.7457728 1011.484422 1024.858423 2304.874321 1919.509646 1190.009851 1560.614356 1554.799679 3291.141241 1644.98397 797.585487 1346.293289 1692.747482 1851.443529 421.0669473 1555.97019 2832.635225 2500.73611 1472.619498 880.9898228 2809.008346 441.4602459 1758.495451 1292.405154 5467.196257 1428.48519 3781.853833 1432.680352 2871.091095 1651.565629 1132.771691 1479.501256 4253.283683 3057.877904 1508.606684 1203.938598 439.258667 1481.082343 1758.861255 1137.816251 1794.543629 1125.129352 1817.451083 3659.678561 2300.570743 1722.715577 2048.063384 906.5885846 5175.702049 1907.328945 750.0982283 1762.189888 1450.740283 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M329T1089 M329.2487T18.14 329.2486548 329.2473285 329.2500913 18.14457818 18.13300555 18.15749977 0 78 0 78 864 15.72893421 34.05038836 0 1 1 0.452866745 0.182259198 1 1224.759034 554.6526368 0.452866745 1202.63382 219.1910753 0.182259198 0.402456572 0.942494712 6.00E-12 700.6632477 1613.977308 913.3140602 0.949586024 0.949715288 0.828852751 0.94905084 0.82588821 0.895228214 0.772141184 0.7412684 0.769035704 0.738133871 0.895228214 1935.629705 836.8586035 777.3684474 1990.815671 272.0612817 848.3396403 955.4162578 1816.771043 1028.876684 1644.813912 721.9438676 2238.881191 1595.166436 535.8911133 994.5785595 1662.963326 1089.921008 1678.942239 995.0639747 896.4855767 1233.56712 929.8214966 533.8672718 355.739552 2105.474498 1056.368153 1252.010548 837.5741095 895.2196552 1595.40277 1267.922478 1964.575592 620.3116841 630.1882521 739.7643351 969.0262037 1212.677025 1052.937176 752.1381073 1020.436966 1206.158091 467.1687374 1056.759051 1010.150939 1412.404727 1848.085198 832.2519356 1477.370949 2235.747147 1189.176378 1673.236684 715.7697689 356.2164184 779.3617045 966.3106753 1028.08344 2133.377417 2479.450698 2237.233175 1998.83476 1481.523945 813.7384097 752.8512179 1473.638442 610.1448806 2161.721138 1267.702847 851.739212 927.2761892 1384.697 499.7587912 1200.071706 797.816007 1204.818912 1029.576744 1091.043119 995.2867027 502.6658066 1594.780768 1832.06207 936.9198009 1086.007199 1561.529533 1558.990589 466.7253539 717.2790185 2244.059464 1984.270519 1483.77233 1134.786997 2372.485348 791.1419122 1429.656634 777.4381952 2137.262152 1128.762714 1913.841999 1083.358312 2198.309536 936.3651251 943.7795131 756.0232206 1889.354258 1713.4387 1846.431289 1421.392015 940.6859964 963.5282934 981.5702058 955.9990631 551.5783843 783.5603188 845.4911335 1563.3414 1335.797695 1723.619856 1148.894889 490.2299101 2492.752528 1241.756487 575.8040568 1525.682968 956.7929817 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M331T1127 M331.2642T18.78 331.2641816 331.2625205 331.265859 18.78495938 18.76742008 18.92457888 0 100 0 99 154 21.14810486 26.46747288 0 1 1 0.433884136 0.207270002 1 797.9591758 346.2218275 0.433884136 751.8172458 155.8291618 0.207270002 0.477708182 0.981651003 2.51E-17 447.097541 1099.764554 652.6670129 0.029267144 0.028533386 0.819596024 0.028818926 0.814503953 0.895228214 0.078631834 0.584909599 0.075173279 0.582994349 0.895228214 1202.367825 549.4782237 667.8549876 1150.492118 301.1598109 670.7776927 845.1864642 1300.444397 670.0119694 453.3107484 404.1408337 1879.695667 820.0552094 559.5350293 1212.530836 1522.755356 1132.58872 1288.069474 643.4461178 327.6713194 779.3259376 811.2854009 456.7034153 598.1881105 1873.360643 614.6326607 667.594479 576.1834026 728.8994515 488.8864051 755.5484295 1168.466522 603.2860735 548.2842023 803.6221637 1593.52584 1046.758441 833.3762405 835.5671551 494.7515993 1387.808385 263.3113961 540.8366353 598.7804145 818.733952 1005.024297 899.4176455 1562.015158 2053.813264 1774.630912 845.5307423 438.6133952 539.0210128 324.7695894 481.6895739 785.6908957 1174.72784 1146.969246 1359.345626 1001.002741 494.1885183 581.9368035 537.9571294 258.806452 646.8545736 627.5010541 516.5278307 576.1824699 839.1365941 974.9663462 804.6576722 952.2349949 762.0974586 578.3582106 726.1221741 777.2046289 644.1914056 379.3730715 885.7373442 1276.289802 523.8854526 951.9328967 1070.233735 613.7714935 235.7752045 502.9143307 1074.326048 742.5259207 1069.873032 464.7171203 1006.474089 878.1334604 676.3343215 683.7377929 754.3482748 798.2541839 1201.427004 1245.687636 976.0029317 421.8550499 917.1763092 747.084592 939.1770782 1653.372834 1294.316793 908.5475777 844.3247565 683.8462537 897.7163067 480.4331446 285.6801785 901.6749827 472.889469 828.4544243 551.7634131 1041.979058 693.8582806 653.9433892 849.7254385 712.010973 336.4529718 1219.521699 558.4508784 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M333T55 M332.9469T0.91 332.9468661 332.9452622 332.9488265 0.908436445 0.889752375 0.924566819 0 82 0 82 [M+Cl]- 297.975 [M-2H+Na]- 311.963 45 Inf 17.34270115 0 0 1 0.311678309 0.247573434 1 2951.233929 919.8356004 0.311678309 2699.669163 668.3663661 0.247573434 0.794323593 0.937558143 1.45E-11 1410.427328 4969.139095 3558.711766 0.000262886 0.000172512 0.715391897 0.000162265 0.695696123 0.843428085 0.000858608 0.192210602 0.000643532 0.180220881 0.843428085 2414.4995 3658.18 2197.404154 1762.215323 3065.535207 2241.821363 2692.637537 2060.124814 2425.626333 2264.55836 1869.111232 1974.733365 3439.548182 5350.284965 2972.150705 4030.535197 4364.864122 3183.87852 3411.64088 1963.340436 2075.631132 2151.988806 1869.515321 2172.450666 4343.404123 2307.698571 3965.962978 3139.148791 3963.044837 4085.654933 2624.607869 2899.107026 2649.220024 3142.64228 2290.730199 4576.795592 2612.470352 2367.155957 1929.403693 2169.456247 2432.270701 2424.610213 2190.916247 4139.848638 2320.674385 3063.60864 2694.976705 4351.559411 4830.411994 3678.643202 4002.539476 2054.670203 2331.653919 1749.685366 3715.726905 3645.205528 3589.090979 2677.796215 2331.664454 2615.743762 2306.681692 4222.130171 2580.725697 3578.296314 3744.980719 3280.578394 2579.69159 2076.130202 4318.852045 2527.788335 3734.039945 4488.453762 2087.530223 2981.442747 1661.902301 2549.248335 2215.370665 2114.558574 2346.053209 2461.564122 2536.11433 2599.142108 1652.419976 2093.247809 3578.33018 2970.684572 2131.836992 3548.935294 3929.626905 3756.997154 3403.655764 1320.604747 4225.623659 2507.544507 2330.288493 2223.355781 2869.651121 1480.792062 3270.098157 2888.872989 6570.752462 2085.612528 3666.166458 4026.993895 2492.853452 2040.509991 2658.544612 2414.499605 2848.498086 2247.31113 3645.31119 2310.692989 3251.77652 1841.500888 2393.863797 4345.899471 2381.072513 2920.476182 2110.066946 3780.952503 2547.421123 3241.699609 2564.050115 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M335T47 M335.0448T0.79 335.0448423 335.0438014 335.0457967 0.788876515 0.771699834 0.8062 0 294 0 294 [M-H-CH2]- 350.066 16 Inf 66.14039654 0 1 0 0.251074294 0.153754528 1 1959.791832 492.0533502 0.251074294 1885.41226 289.890673 0.153754528 0.612386582 0.91939603 2.21E-10 1306.437862 2538.675336 1232.237474 0.437606581 0.440967132 0.93840941 0.43998644 0.936212582 0.895228214 0.781148657 0.680067555 0.778449673 0.679778253 0.895228214 1609.602118 1710.936348 1809.966 1551.966214 1784.383258 1780.439015 1143.135237 2107.361335 2198.699159 1343.701799 1152.551508 1585.69995 1858.771794 1821.106712 1708.111467 1272.138143 1367.020187 1774.02536 2881.077405 1593.05979 2108.89737 1920.755236 3158.446409 1450.271962 1994.962007 2403.151937 1259.896991 1616.510784 3016.031437 1655.380352 1859.481722 2591.357638 1849.355524 1727.317951 1822.638902 2739.193085 1737.301905 1943.518229 1527.288929 1755.648004 2140.318282 2158.209196 3054.643452 1999.074225 1879.434022 1399.257795 3154.066073 1618.656897 2075.346016 1627.714172 1840.817858 1500.349744 1791.139239 1577.225307 2790.982573 1480.703777 1991.541208 1830.522983 1541.443479 1892.670368 1559.334393 2817.068235 1707.16984 1640.314319 2254.255155 1457.638672 1864.764685 2100.878784 1610.182254 3305.048245 1904.667065 1792.857901 3268.387487 2155.816961 1988.73055 2106.711581 1560.50559 1099.437138 2730.718442 2180.808245 3064.054417 2097.945065 2272.147012 1796.624409 2277.427669 2049.922085 1252.363975 1568.750663 1733.535397 1961.841924 2050.45619 2171.391975 1811.000031 1366.300848 1931.277077 1215.110365 1268.490903 1951.992872 1374.775491 1419.031963 1667.873649 1506.873256 2515.473377 1548.572117 1901.568343 1698.695196 3420.142296 1556.509512 2313.577659 1467.013641 1940.693348 1826.60398 1790.03302 1402.082676 1766.492344 1932.742573 1701.520077 1706.228213 914.817808 1526.672345 1492.478872 1822.04834 1601.70761 No_result_found_in_bank_inhouse 335.039943 [(M-H)+(HCOOK)]- 1157 2'-deoxyinosine 252.085854884 C10H12N4O4 VGONTNSXDCQUGY-RRKCRQDMSA-N 1378 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.97]; fullscan high no curation splash10-0udi-0092000000-fdaf779889f2e065b68c +M335T47 M335.0448T0.79 335.0448423 335.0438014 335.0457967 0.788876515 0.771699834 0.8062 0 294 0 294 [M-H-CH2]- 350.066 16 Inf 66.14039654 0 1 0 0.251074294 0.153754528 1 1959.791832 492.0533502 0.251074294 1885.41226 289.890673 0.153754528 0.612386582 0.91939603 2.21E-10 1306.437862 2538.675336 1232.237474 0.437606581 0.440967132 0.93840941 0.43998644 0.936212582 0.895228214 0.781148657 0.680067555 0.778449673 0.679778253 0.895228214 1609.602118 1710.936348 1809.966 1551.966214 1784.383258 1780.439015 1143.135237 2107.361335 2198.699159 1343.701799 1152.551508 1585.69995 1858.771794 1821.106712 1708.111467 1272.138143 1367.020187 1774.02536 2881.077405 1593.05979 2108.89737 1920.755236 3158.446409 1450.271962 1994.962007 2403.151937 1259.896991 1616.510784 3016.031437 1655.380352 1859.481722 2591.357638 1849.355524 1727.317951 1822.638902 2739.193085 1737.301905 1943.518229 1527.288929 1755.648004 2140.318282 2158.209196 3054.643452 1999.074225 1879.434022 1399.257795 3154.066073 1618.656897 2075.346016 1627.714172 1840.817858 1500.349744 1791.139239 1577.225307 2790.982573 1480.703777 1991.541208 1830.522983 1541.443479 1892.670368 1559.334393 2817.068235 1707.16984 1640.314319 2254.255155 1457.638672 1864.764685 2100.878784 1610.182254 3305.048245 1904.667065 1792.857901 3268.387487 2155.816961 1988.73055 2106.711581 1560.50559 1099.437138 2730.718442 2180.808245 3064.054417 2097.945065 2272.147012 1796.624409 2277.427669 2049.922085 1252.363975 1568.750663 1733.535397 1961.841924 2050.45619 2171.391975 1811.000031 1366.300848 1931.277077 1215.110365 1268.490903 1951.992872 1374.775491 1419.031963 1667.873649 1506.873256 2515.473377 1548.572117 1901.568343 1698.695196 3420.142296 1556.509512 2313.577659 1467.013641 1940.693348 1826.60398 1790.03302 1402.082676 1766.492344 1932.742573 1701.520077 1706.228213 914.817808 1526.672345 1492.478872 1822.04834 1601.70761 No_result_found_in_bank_inhouse 335.039943 [(M-H)+(HCOOK)]- 1157 2'-deoxyinosine 252.085854884 C10H12N4O4 VGONTNSXDCQUGY-RRKCRQDMSA-N 1400 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.22]; fullscan high no curation splash10-0udi-0092000000-fdaf779889f2e065b68c +M335T47 M335.0448T0.79 335.0448423 335.0438014 335.0457967 0.788876515 0.771699834 0.8062 0 294 0 294 [M-H-CH2]- 350.066 16 Inf 66.14039654 0 1 0 0.251074294 0.153754528 1 1959.791832 492.0533502 0.251074294 1885.41226 289.890673 0.153754528 0.612386582 0.91939603 2.21E-10 1306.437862 2538.675336 1232.237474 0.437606581 0.440967132 0.93840941 0.43998644 0.936212582 0.895228214 0.781148657 0.680067555 0.778449673 0.679778253 0.895228214 1609.602118 1710.936348 1809.966 1551.966214 1784.383258 1780.439015 1143.135237 2107.361335 2198.699159 1343.701799 1152.551508 1585.69995 1858.771794 1821.106712 1708.111467 1272.138143 1367.020187 1774.02536 2881.077405 1593.05979 2108.89737 1920.755236 3158.446409 1450.271962 1994.962007 2403.151937 1259.896991 1616.510784 3016.031437 1655.380352 1859.481722 2591.357638 1849.355524 1727.317951 1822.638902 2739.193085 1737.301905 1943.518229 1527.288929 1755.648004 2140.318282 2158.209196 3054.643452 1999.074225 1879.434022 1399.257795 3154.066073 1618.656897 2075.346016 1627.714172 1840.817858 1500.349744 1791.139239 1577.225307 2790.982573 1480.703777 1991.541208 1830.522983 1541.443479 1892.670368 1559.334393 2817.068235 1707.16984 1640.314319 2254.255155 1457.638672 1864.764685 2100.878784 1610.182254 3305.048245 1904.667065 1792.857901 3268.387487 2155.816961 1988.73055 2106.711581 1560.50559 1099.437138 2730.718442 2180.808245 3064.054417 2097.945065 2272.147012 1796.624409 2277.427669 2049.922085 1252.363975 1568.750663 1733.535397 1961.841924 2050.45619 2171.391975 1811.000031 1366.300848 1931.277077 1215.110365 1268.490903 1951.992872 1374.775491 1419.031963 1667.873649 1506.873256 2515.473377 1548.572117 1901.568343 1698.695196 3420.142296 1556.509512 2313.577659 1467.013641 1940.693348 1826.60398 1790.03302 1402.082676 1766.492344 1932.742573 1701.520077 1706.228213 914.817808 1526.672345 1492.478872 1822.04834 1601.70761 No_result_found_in_bank_inhouse 335.039943 [(M-H)+(HCOOK)]- 1157 2'-deoxyinosine 252.085854884 C10H12N4O4 VGONTNSXDCQUGY-RRKCRQDMSA-N 1995 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.22]; fullscan high no curation splash10-0udi-0092000000-fdaf779889f2e065b68c +M335T47 M335.0448T0.79 335.0448423 335.0438014 335.0457967 0.788876515 0.771699834 0.8062 0 294 0 294 [M-H-CH2]- 350.066 16 Inf 66.14039654 0 1 0 0.251074294 0.153754528 1 1959.791832 492.0533502 0.251074294 1885.41226 289.890673 0.153754528 0.612386582 0.91939603 2.21E-10 1306.437862 2538.675336 1232.237474 0.437606581 0.440967132 0.93840941 0.43998644 0.936212582 0.895228214 0.781148657 0.680067555 0.778449673 0.679778253 0.895228214 1609.602118 1710.936348 1809.966 1551.966214 1784.383258 1780.439015 1143.135237 2107.361335 2198.699159 1343.701799 1152.551508 1585.69995 1858.771794 1821.106712 1708.111467 1272.138143 1367.020187 1774.02536 2881.077405 1593.05979 2108.89737 1920.755236 3158.446409 1450.271962 1994.962007 2403.151937 1259.896991 1616.510784 3016.031437 1655.380352 1859.481722 2591.357638 1849.355524 1727.317951 1822.638902 2739.193085 1737.301905 1943.518229 1527.288929 1755.648004 2140.318282 2158.209196 3054.643452 1999.074225 1879.434022 1399.257795 3154.066073 1618.656897 2075.346016 1627.714172 1840.817858 1500.349744 1791.139239 1577.225307 2790.982573 1480.703777 1991.541208 1830.522983 1541.443479 1892.670368 1559.334393 2817.068235 1707.16984 1640.314319 2254.255155 1457.638672 1864.764685 2100.878784 1610.182254 3305.048245 1904.667065 1792.857901 3268.387487 2155.816961 1988.73055 2106.711581 1560.50559 1099.437138 2730.718442 2180.808245 3064.054417 2097.945065 2272.147012 1796.624409 2277.427669 2049.922085 1252.363975 1568.750663 1733.535397 1961.841924 2050.45619 2171.391975 1811.000031 1366.300848 1931.277077 1215.110365 1268.490903 1951.992872 1374.775491 1419.031963 1667.873649 1506.873256 2515.473377 1548.572117 1901.568343 1698.695196 3420.142296 1556.509512 2313.577659 1467.013641 1940.693348 1826.60398 1790.03302 1402.082676 1766.492344 1932.742573 1701.520077 1706.228213 914.817808 1526.672345 1492.478872 1822.04834 1601.70761 No_result_found_in_bank_inhouse 335.044877 [(M-H)+3(HCOONa)]- 1259 L-ornithine 132.089877634 C5H12N2O2 AHLPHDHHMVZTML-BYPYZUCNSA-N 1900 null; LC-UNKNOWN-FT; MS; NEGATIVE; 2017-01-01; sigma; [3.74]; fullscan high no curation splash10-0012-0910000000-2e337faa64b94bb5b916 +M335T47 M335.0448T0.79 335.0448423 335.0438014 335.0457967 0.788876515 0.771699834 0.8062 0 294 0 294 [M-H-CH2]- 350.066 16 Inf 66.14039654 0 1 0 0.251074294 0.153754528 1 1959.791832 492.0533502 0.251074294 1885.41226 289.890673 0.153754528 0.612386582 0.91939603 2.21E-10 1306.437862 2538.675336 1232.237474 0.437606581 0.440967132 0.93840941 0.43998644 0.936212582 0.895228214 0.781148657 0.680067555 0.778449673 0.679778253 0.895228214 1609.602118 1710.936348 1809.966 1551.966214 1784.383258 1780.439015 1143.135237 2107.361335 2198.699159 1343.701799 1152.551508 1585.69995 1858.771794 1821.106712 1708.111467 1272.138143 1367.020187 1774.02536 2881.077405 1593.05979 2108.89737 1920.755236 3158.446409 1450.271962 1994.962007 2403.151937 1259.896991 1616.510784 3016.031437 1655.380352 1859.481722 2591.357638 1849.355524 1727.317951 1822.638902 2739.193085 1737.301905 1943.518229 1527.288929 1755.648004 2140.318282 2158.209196 3054.643452 1999.074225 1879.434022 1399.257795 3154.066073 1618.656897 2075.346016 1627.714172 1840.817858 1500.349744 1791.139239 1577.225307 2790.982573 1480.703777 1991.541208 1830.522983 1541.443479 1892.670368 1559.334393 2817.068235 1707.16984 1640.314319 2254.255155 1457.638672 1864.764685 2100.878784 1610.182254 3305.048245 1904.667065 1792.857901 3268.387487 2155.816961 1988.73055 2106.711581 1560.50559 1099.437138 2730.718442 2180.808245 3064.054417 2097.945065 2272.147012 1796.624409 2277.427669 2049.922085 1252.363975 1568.750663 1733.535397 1961.841924 2050.45619 2171.391975 1811.000031 1366.300848 1931.277077 1215.110365 1268.490903 1951.992872 1374.775491 1419.031963 1667.873649 1506.873256 2515.473377 1548.572117 1901.568343 1698.695196 3420.142296 1556.509512 2313.577659 1467.013641 1940.693348 1826.60398 1790.03302 1402.082676 1766.492344 1932.742573 1701.520077 1706.228213 914.817808 1526.672345 1492.478872 1822.04834 1601.70761 No_result_found_in_bank_inhouse 335.044877 [(M-H)+3(HCOONa)]- 1259 L-ornithine 132.089877634 C5H12N2O2 AHLPHDHHMVZTML-BYPYZUCNSA-N 2786 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.85]; fullscan high no curation splash10-0012-0910000000-2e337faa64b94bb5b916 +M335T47 M335.0448T0.79 335.0448423 335.0438014 335.0457967 0.788876515 0.771699834 0.8062 0 294 0 294 [M-H-CH2]- 350.066 16 Inf 66.14039654 0 1 0 0.251074294 0.153754528 1 1959.791832 492.0533502 0.251074294 1885.41226 289.890673 0.153754528 0.612386582 0.91939603 2.21E-10 1306.437862 2538.675336 1232.237474 0.437606581 0.440967132 0.93840941 0.43998644 0.936212582 0.895228214 0.781148657 0.680067555 0.778449673 0.679778253 0.895228214 1609.602118 1710.936348 1809.966 1551.966214 1784.383258 1780.439015 1143.135237 2107.361335 2198.699159 1343.701799 1152.551508 1585.69995 1858.771794 1821.106712 1708.111467 1272.138143 1367.020187 1774.02536 2881.077405 1593.05979 2108.89737 1920.755236 3158.446409 1450.271962 1994.962007 2403.151937 1259.896991 1616.510784 3016.031437 1655.380352 1859.481722 2591.357638 1849.355524 1727.317951 1822.638902 2739.193085 1737.301905 1943.518229 1527.288929 1755.648004 2140.318282 2158.209196 3054.643452 1999.074225 1879.434022 1399.257795 3154.066073 1618.656897 2075.346016 1627.714172 1840.817858 1500.349744 1791.139239 1577.225307 2790.982573 1480.703777 1991.541208 1830.522983 1541.443479 1892.670368 1559.334393 2817.068235 1707.16984 1640.314319 2254.255155 1457.638672 1864.764685 2100.878784 1610.182254 3305.048245 1904.667065 1792.857901 3268.387487 2155.816961 1988.73055 2106.711581 1560.50559 1099.437138 2730.718442 2180.808245 3064.054417 2097.945065 2272.147012 1796.624409 2277.427669 2049.922085 1252.363975 1568.750663 1733.535397 1961.841924 2050.45619 2171.391975 1811.000031 1366.300848 1931.277077 1215.110365 1268.490903 1951.992872 1374.775491 1419.031963 1667.873649 1506.873256 2515.473377 1548.572117 1901.568343 1698.695196 3420.142296 1556.509512 2313.577659 1467.013641 1940.693348 1826.60398 1790.03302 1402.082676 1766.492344 1932.742573 1701.520077 1706.228213 914.817808 1526.672345 1492.478872 1822.04834 1601.70761 No_result_found_in_bank_inhouse 335.044877 [(M-H)+3(HCOONa)]- 1259 L-ornithine 132.089877634 C5H12N2O2 AHLPHDHHMVZTML-BYPYZUCNSA-N 3584 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [0.8]; fullscan high no curation splash10-0012-0910000000-2e337faa64b94bb5b916 +M335T47 M335.0448T0.79 335.0448423 335.0438014 335.0457967 0.788876515 0.771699834 0.8062 0 294 0 294 [M-H-CH2]- 350.066 16 Inf 66.14039654 0 1 0 0.251074294 0.153754528 1 1959.791832 492.0533502 0.251074294 1885.41226 289.890673 0.153754528 0.612386582 0.91939603 2.21E-10 1306.437862 2538.675336 1232.237474 0.437606581 0.440967132 0.93840941 0.43998644 0.936212582 0.895228214 0.781148657 0.680067555 0.778449673 0.679778253 0.895228214 1609.602118 1710.936348 1809.966 1551.966214 1784.383258 1780.439015 1143.135237 2107.361335 2198.699159 1343.701799 1152.551508 1585.69995 1858.771794 1821.106712 1708.111467 1272.138143 1367.020187 1774.02536 2881.077405 1593.05979 2108.89737 1920.755236 3158.446409 1450.271962 1994.962007 2403.151937 1259.896991 1616.510784 3016.031437 1655.380352 1859.481722 2591.357638 1849.355524 1727.317951 1822.638902 2739.193085 1737.301905 1943.518229 1527.288929 1755.648004 2140.318282 2158.209196 3054.643452 1999.074225 1879.434022 1399.257795 3154.066073 1618.656897 2075.346016 1627.714172 1840.817858 1500.349744 1791.139239 1577.225307 2790.982573 1480.703777 1991.541208 1830.522983 1541.443479 1892.670368 1559.334393 2817.068235 1707.16984 1640.314319 2254.255155 1457.638672 1864.764685 2100.878784 1610.182254 3305.048245 1904.667065 1792.857901 3268.387487 2155.816961 1988.73055 2106.711581 1560.50559 1099.437138 2730.718442 2180.808245 3064.054417 2097.945065 2272.147012 1796.624409 2277.427669 2049.922085 1252.363975 1568.750663 1733.535397 1961.841924 2050.45619 2171.391975 1811.000031 1366.300848 1931.277077 1215.110365 1268.490903 1951.992872 1374.775491 1419.031963 1667.873649 1506.873256 2515.473377 1548.572117 1901.568343 1698.695196 3420.142296 1556.509512 2313.577659 1467.013641 1940.693348 1826.60398 1790.03302 1402.082676 1766.492344 1932.742573 1701.520077 1706.228213 914.817808 1526.672345 1492.478872 1822.04834 1601.70761 No_result_found_in_bank_inhouse 335.049406 [(2M-H)]- 410 Uric acid 168.028340008 C5H4N4O3 LEHOTFFKMJEONL-UHFFFAOYSA-N 956 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [0.93]; fullscan high no curation splash10-014i-0913000000-6ef5a7ad2434f9fa869b +M335T47 M335.0448T0.79 335.0448423 335.0438014 335.0457967 0.788876515 0.771699834 0.8062 0 294 0 294 [M-H-CH2]- 350.066 16 Inf 66.14039654 0 1 0 0.251074294 0.153754528 1 1959.791832 492.0533502 0.251074294 1885.41226 289.890673 0.153754528 0.612386582 0.91939603 2.21E-10 1306.437862 2538.675336 1232.237474 0.437606581 0.440967132 0.93840941 0.43998644 0.936212582 0.895228214 0.781148657 0.680067555 0.778449673 0.679778253 0.895228214 1609.602118 1710.936348 1809.966 1551.966214 1784.383258 1780.439015 1143.135237 2107.361335 2198.699159 1343.701799 1152.551508 1585.69995 1858.771794 1821.106712 1708.111467 1272.138143 1367.020187 1774.02536 2881.077405 1593.05979 2108.89737 1920.755236 3158.446409 1450.271962 1994.962007 2403.151937 1259.896991 1616.510784 3016.031437 1655.380352 1859.481722 2591.357638 1849.355524 1727.317951 1822.638902 2739.193085 1737.301905 1943.518229 1527.288929 1755.648004 2140.318282 2158.209196 3054.643452 1999.074225 1879.434022 1399.257795 3154.066073 1618.656897 2075.346016 1627.714172 1840.817858 1500.349744 1791.139239 1577.225307 2790.982573 1480.703777 1991.541208 1830.522983 1541.443479 1892.670368 1559.334393 2817.068235 1707.16984 1640.314319 2254.255155 1457.638672 1864.764685 2100.878784 1610.182254 3305.048245 1904.667065 1792.857901 3268.387487 2155.816961 1988.73055 2106.711581 1560.50559 1099.437138 2730.718442 2180.808245 3064.054417 2097.945065 2272.147012 1796.624409 2277.427669 2049.922085 1252.363975 1568.750663 1733.535397 1961.841924 2050.45619 2171.391975 1811.000031 1366.300848 1931.277077 1215.110365 1268.490903 1951.992872 1374.775491 1419.031963 1667.873649 1506.873256 2515.473377 1548.572117 1901.568343 1698.695196 3420.142296 1556.509512 2313.577659 1467.013641 1940.693348 1826.60398 1790.03302 1402.082676 1766.492344 1932.742573 1701.520077 1706.228213 914.817808 1526.672345 1492.478872 1822.04834 1601.70761 No_result_found_in_bank_inhouse 335.049406 [(2M-H)]- 410 Uric acid 168.028340008 C5H4N4O3 LEHOTFFKMJEONL-UHFFFAOYSA-N 3590 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.37]; fullscan high no curation splash10-014i-0913000000-6ef5a7ad2434f9fa869b +M335T47 M335.0448T0.79 335.0448423 335.0438014 335.0457967 0.788876515 0.771699834 0.8062 0 294 0 294 [M-H-CH2]- 350.066 16 Inf 66.14039654 0 1 0 0.251074294 0.153754528 1 1959.791832 492.0533502 0.251074294 1885.41226 289.890673 0.153754528 0.612386582 0.91939603 2.21E-10 1306.437862 2538.675336 1232.237474 0.437606581 0.440967132 0.93840941 0.43998644 0.936212582 0.895228214 0.781148657 0.680067555 0.778449673 0.679778253 0.895228214 1609.602118 1710.936348 1809.966 1551.966214 1784.383258 1780.439015 1143.135237 2107.361335 2198.699159 1343.701799 1152.551508 1585.69995 1858.771794 1821.106712 1708.111467 1272.138143 1367.020187 1774.02536 2881.077405 1593.05979 2108.89737 1920.755236 3158.446409 1450.271962 1994.962007 2403.151937 1259.896991 1616.510784 3016.031437 1655.380352 1859.481722 2591.357638 1849.355524 1727.317951 1822.638902 2739.193085 1737.301905 1943.518229 1527.288929 1755.648004 2140.318282 2158.209196 3054.643452 1999.074225 1879.434022 1399.257795 3154.066073 1618.656897 2075.346016 1627.714172 1840.817858 1500.349744 1791.139239 1577.225307 2790.982573 1480.703777 1991.541208 1830.522983 1541.443479 1892.670368 1559.334393 2817.068235 1707.16984 1640.314319 2254.255155 1457.638672 1864.764685 2100.878784 1610.182254 3305.048245 1904.667065 1792.857901 3268.387487 2155.816961 1988.73055 2106.711581 1560.50559 1099.437138 2730.718442 2180.808245 3064.054417 2097.945065 2272.147012 1796.624409 2277.427669 2049.922085 1252.363975 1568.750663 1733.535397 1961.841924 2050.45619 2171.391975 1811.000031 1366.300848 1931.277077 1215.110365 1268.490903 1951.992872 1374.775491 1419.031963 1667.873649 1506.873256 2515.473377 1548.572117 1901.568343 1698.695196 3420.142296 1556.509512 2313.577659 1467.013641 1940.693348 1826.60398 1790.03302 1402.082676 1766.492344 1932.742573 1701.520077 1706.228213 914.817808 1526.672345 1492.478872 1822.04834 1601.70761 No_result_found_in_bank_inhouse 335.049406 [(2M-H)]- 410 Uric acid 168.028340008 C5H4N4O3 LEHOTFFKMJEONL-UHFFFAOYSA-N 3601 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.9]; fullscan high no curation splash10-014i-0913000000-6ef5a7ad2434f9fa869b +M335T47 M335.0448T0.79 335.0448423 335.0438014 335.0457967 0.788876515 0.771699834 0.8062 0 294 0 294 [M-H-CH2]- 350.066 16 Inf 66.14039654 0 1 0 0.251074294 0.153754528 1 1959.791832 492.0533502 0.251074294 1885.41226 289.890673 0.153754528 0.612386582 0.91939603 2.21E-10 1306.437862 2538.675336 1232.237474 0.437606581 0.440967132 0.93840941 0.43998644 0.936212582 0.895228214 0.781148657 0.680067555 0.778449673 0.679778253 0.895228214 1609.602118 1710.936348 1809.966 1551.966214 1784.383258 1780.439015 1143.135237 2107.361335 2198.699159 1343.701799 1152.551508 1585.69995 1858.771794 1821.106712 1708.111467 1272.138143 1367.020187 1774.02536 2881.077405 1593.05979 2108.89737 1920.755236 3158.446409 1450.271962 1994.962007 2403.151937 1259.896991 1616.510784 3016.031437 1655.380352 1859.481722 2591.357638 1849.355524 1727.317951 1822.638902 2739.193085 1737.301905 1943.518229 1527.288929 1755.648004 2140.318282 2158.209196 3054.643452 1999.074225 1879.434022 1399.257795 3154.066073 1618.656897 2075.346016 1627.714172 1840.817858 1500.349744 1791.139239 1577.225307 2790.982573 1480.703777 1991.541208 1830.522983 1541.443479 1892.670368 1559.334393 2817.068235 1707.16984 1640.314319 2254.255155 1457.638672 1864.764685 2100.878784 1610.182254 3305.048245 1904.667065 1792.857901 3268.387487 2155.816961 1988.73055 2106.711581 1560.50559 1099.437138 2730.718442 2180.808245 3064.054417 2097.945065 2272.147012 1796.624409 2277.427669 2049.922085 1252.363975 1568.750663 1733.535397 1961.841924 2050.45619 2171.391975 1811.000031 1366.300848 1931.277077 1215.110365 1268.490903 1951.992872 1374.775491 1419.031963 1667.873649 1506.873256 2515.473377 1548.572117 1901.568343 1698.695196 3420.142296 1556.509512 2313.577659 1467.013641 1940.693348 1826.60398 1790.03302 1402.082676 1766.492344 1932.742573 1701.520077 1706.228213 914.817808 1526.672345 1492.478872 1822.04834 1601.70761 No_result_found_in_bank_inhouse 335.049406 [(2M-H)]- 410 Uric acid 168.028340008 C5H4N4O3 LEHOTFFKMJEONL-UHFFFAOYSA-N 3674 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.1]; fullscan high no curation splash10-014i-0913000000-6ef5a7ad2434f9fa869b +M339T910 M339.2T15.17 339.1999646 339.1988746 339.2010875 15.16873469 15.05212763 15.3293984 0 343 1 339 [135][M]- [M+Cl+NaCOOH]- 236.253 [M+Cl]- 304.23 [M-H-CH2]- 354.22 [M-H-C2H4]- 368.238 7 3.690445629 11.11072787 8.95E-05 1 1 0.058926124 0.050625903 1 9179.829042 540.9317456 0.058926124 9129.397038 462.1839726 0.050625903 0.85914192 0.750815318 2.37E-05 8256.783501 10386.30459 2129.521092 0.228701854 0.2322692 0.932203586 0.231294041 0.931766748 0.895228214 0.569533583 0.676135856 0.573697168 0.674640444 0.895228214 9329.203424 8485.190405 8502.9161 8476.450769 9487.439518 9856.924081 9653.673568 8397.930661 10450.77626 8888.929429 9385.758894 8622.476266 10280.16834 9460.921641 9215.289363 9853.021249 9124.838379 8824.01436 8814.717778 8322.794137 9429.521087 8955.193597 9604.998507 9153.668221 9295.403032 9372.036108 9036.036483 8933.808368 10187.42568 10095.52518 9006.165032 9989.701932 9469.840625 9701.86155 9123.451853 9254.692553 10244.14609 8079.507349 9650.862156 9265.075342 9639.697578 8560.941954 9127.517876 8314.575927 8708.544896 8940.188506 9041.73159 10492.47119 8792.050198 9363.951446 8790.411358 8388.240713 10243.34541 9005.231111 10091.39438 9252.213748 9513.195133 10445.59348 9448.563971 9851.951694 9525.475357 9472.544922 8842.384061 7926.865248 8054.707672 9134.398032 8573.260846 9084.965948 9077.425101 9035.177973 8660.785211 9311.365401 9604.483497 8867.449183 8916.553349 8552.568231 8678.029386 8633.91889 9563.239612 9261.497696 10490.27098 9456.698676 9862.995426 9213.061429 8751.700219 9848.513749 9083.19183 9814.739951 9357.845954 9261.805806 9605.626253 8410.419364 9205.533517 8765.250213 10644.36082 9132.327642 9358.314139 10220.27295 9606.060414 8682.389686 9535.389736 8779.614748 8991.905529 9527.63552 8883.394294 9377.72004 8936.745007 10242.9586 9933.454933 9433.086085 8686.099676 9829.292562 8566.791496 8982.848932 8505.279686 9143.048291 9146.155945 9371.564226 8974.919263 8958.637213 8494.210634 8172.487169 8814.583237 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M339T880 M339.2T14.67 339.1999718 339.1987364 339.2012131 14.66909473 14.64901806 14.7516127 0 339 0 338 [139][M]- [M+Cl]- 304.23 20 7.474257705 25.37562328 4.07E-09 0 0 0.102220461 0.08380184 1 18616.09562 1902.945883 0.102220461 17915.10227 1501.318536 0.08380184 0.819814731 0.926369247 8.43E-11 15213.41686 20226.28481 5012.867948 0.635158467 0.639419382 0.94388693 0.64153341 0.943247809 0.897437208 0.97271443 0.661053309 0.973061143 0.664676869 0.897437208 18133.02891 21151.22813 22537.56025 18916.93224 15323.55626 17092.35309 17036.37221 20397.2613 19695.74434 16188.97905 19281.06258 16474.1752 18524.63716 19030.28666 18863.10271 17455.97114 20088.03218 17921.4637 18243.07426 17870.82208 17944.18565 18418.33168 19521.50239 19654.64368 19832.61827 18569.13457 19284.3407 16764.9342 17510.06006 17843.60843 19658.71944 18587.74091 16227.49692 17177.94392 18821.83131 18214.85514 20716.87767 19640.83588 22328.33821 16512.23746 18014.89003 17098.65642 20737.43562 17263.38178 19033.77051 18725.42181 18173.78645 15054.75069 18721.32416 17312.4438 16338.33863 19412.81562 18567.77599 19204.02684 17762.47504 20044.55747 18402.52732 20169.43219 15416.16305 18393.5125 16994.57622 19354.39648 18619.70255 16424.18392 20575.91865 17198.63898 17858.59482 19510.63371 19090.11228 16885.84823 18191.44805 17921.4637 18069.79848 21342.00578 15762.29875 17427.92349 19101.69974 19422.32571 19393.33807 18293.52994 16310.26937 16509.41496 22522.61581 20147.3049 16709.23223 18101.76012 18318.93534 19008.9789 19667.88034 16407.62644 16994.535 20514.45397 18700.91728 17593.65204 20516.09303 16407.62644 19031.05334 16890.49602 19808.83936 19021.27184 19609.81039 18066.45826 15846.531 17919.73113 18627.55371 20721.79485 22302.52511 20412.83235 20549.69372 15695.7281 17894.41924 16520.38897 16960.15599 17434.66338 19596.58131 15176.74878 16149.64165 20169.43219 17167.07525 17096.42885 19178.62143 18072.25707 17752.64069 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M339T1075_2 M339.233T17.91_2 339.2329666 339.2298641 339.2343566 17.91137004 17.89862444 18.20880923 0 203 0 188 [142][M]- 12 75.6043056 26.08575831 0 0 0 0.687058991 0.233437327 1 209310.0808 143808.3729 0.687058991 195418.4027 45617.94955 0.233437327 0.33976315 0.853989552 1.11E-07 111298.2773 329574.6751 218276.3978 0.997345783 0.997340401 0.828852751 0.997357946 0.82588821 0.927138791 0.663810057 0.993331005 0.665499583 0.993591413 0.927138791 175653.6429 82810.91047 97153.78029 169197.8021 174998.4786 151500.1816 170841.2953 107426.6657 55695.43457 91878.25923 168107.1131 213286.9481 196485.976 131603.2565 259993.4884 98601.89448 88076.19346 195516.5677 98595.46227 97836.21354 186716.1865 398450.8434 391683.2876 393805.1763 419582.8956 436584.7236 355694.3723 202603.6333 449729.6776 660094.8743 242605.5771 529130.9764 332658.527 374256.1912 166548.2244 525001.7481 143406.591 283493.7478 159218.4682 286505.072 442057.3749 459990.9766 282888.0644 314399.3845 343845.0507 423693.6265 327018.0058 362741.7448 550698.7318 472164.7671 339065.7915 924629.1447 359095.7083 487275.9862 412370.9382 401234.0133 397828.9127 432215.4013 401848.1244 431618.4262 266281.5662 233473.4401 397283.3388 485853.8869 359000.2799 422182.2514 306110.8337 310291.1549 332872.2477 162980.2006 90785.88764 164914.8292 106737.7096 273575.5781 156299.4797 164051.1644 149661.0629 287885.5242 294171.6669 395231.8004 91683.47581 261087.3416 192431.7041 175786.63 147395.5626 135950.7144 287678.8861 214632.3966 93468.99053 181467.1281 254370.5927 135900.215 218596.8406 210109.9944 116177.4914 330424.6057 214445.4644 390580.4443 254666.7028 332457.4312 260687.2751 283101.8119 402919.501 528049.7047 555048.6789 432777.2072 332389.5236 332469.1542 676793.0441 376622.9988 214047.1445 409510.0472 310387.387 280634.2189 398763.1517 295096.1607 276998.2617 292329.3404 366699.3284 176693.4351 275740.2854 307899.3895 476724.3156 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA +M340T880 M340.2033T14.67 340.2032591 340.201686 340.2044431 14.66798337 14.445066 14.68689021 0 352 0 329 [139][M+1]- 20 7.601814833 31.58726047 1.01E-12 1 1 0.099900435 0.076923227 1 3904.621504 390.0733853 0.099900435 3991.610407 307.0475551 0.076923227 0.769998926 0.964997443 2.83E-14 3487.301293 5263.013874 1775.712581 0.197489005 0.194626803 0.828852751 0.194713222 0.82588821 0.895228214 0.308320103 0.823885858 0.302944209 0.823644787 0.895228214 4058.504067 4040.209787 4453.159174 3911.081398 3507.266902 3779.522732 4006.027223 4311.788705 4063.040158 4156.048571 3447.924344 3792.998895 4644.1688 3682.549465 3910.664509 3679.34521 4255.037815 4061.020627 4076.180523 3919.988381 3892.555461 4077.231615 4062.834766 3927.368161 3631.845155 3793.964812 4223.33084 4075.651762 3694.19861 3288.602089 3914.632016 4164.143241 3549.038783 3807.851438 4319.249246 3381.59566 3646.505957 3908.337083 3942.291601 3878.007892 3592.819884 3922.885339 4269.859499 4134.301379 3699.875479 3914.361195 3852.915434 3152.061412 3802.083678 3670.139998 3438.14967 3531.310664 3839.53486 4138.506531 3753.578939 3980.441805 3503.814856 3763.40864 4164.572617 3949.045405 4196.567999 4065.069394 4217.42338 3797.42872 3982.564926 4111.846437 3322.842027 3803.110334 3876.585364 4117.964677 4036.027409 3981.729156 3927.26078 4123.594686 3773.310146 3730.351381 3874.485563 4497.41864 4114.094383 3838.452251 3960.676379 3873.72172 3881.033485 4000.223802 4174.84278 3970.545846 4163.964935 4127.427072 3919.144182 3141.600009 3663.697703 3695.063897 3137.758315 3711.731021 3498.207519 3664.15374 3624.598778 4001.277331 3754.301595 3522.457105 3758.144327 3719.193022 3867.539956 3802.113944 3564.478272 4258.880472 4314.446996 4186.171878 4312.213055 3740.243293 3906.219418 4192.628815 3806.527384 3645.548657 3880.612811 3256.730442 3713.034233 3557.364877 2683.662333 3969.249297 4036.851519 4064.811742 3779.114017 No_result_found_in_bank_inhouse No_match_in_bank NA NA NA NA NA NA NA NA NA NA NA NA
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/outHtml_test01.html Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,292 @@ +<?xml version="1.0" encoding="UTF-8" ?> +<!DOCTYPE html> +<html lang="en"> + <head> + <meta charset="utf-8"> + <meta name="viewport" content="width=device-width, initial-scale=1.0"> + <meta name="description" content=""> + <meta name="author" content="INRA de Clermont-Ferrand, UNH, MetaboHUB-PFEM"> + + <title>W4M bih4pforest queries - All results</title> + + <link rel="stylesheet" href="css.php" media="all"> + <link rel="stylesheet" href="https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/style/simplePagination.css"/> + + <!-- JavaScript --> + <script src="https://ajax.googleapis.com/ajax/libs/jquery/1.7.2/jquery.min.js"></script> + <script src="https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/scripts/jquery.simplePagination.js"></script> + <style> + + body {padding-top: 70px} + div.lm-table-warning {font-size: 1.4em;font-weight: bold;padding-right: 25px;color: #21536a;margin-left: 3px;} + tr.green td {background-color: #eaf2d3; color: black;} + tr.blank td {background-color: #9999CC; color: black;} + table {font-family:\"Trebuchet MS\", Arial, Helvetica, sans-serif;width:100%;border-collapse:collapse;} + table.detail, table.detail tr.parent, table.detail td, table.detail th, table.detail tr.category {border-collapse:collapse;border:1px solid #98bf21;} + table.detail th {font-size: 1.2em;text-align: center;padding-top: 5px;padding-bottom: 10px;background-color: #a7c942;color: #ffffff;} + td.center-align {text-align:center;} + footer {margin: 50px 0;} + + </style> + <script> + function test(pageNumber) + { + var page="#page-id-"+pageNumber; + $('.select').hide() + $(page).show() + + } + </script> + </head> + <body> + <div class="container"> + <div class="lm-table-warning">Results of bank_inhouse/PeakForest queries:</div> + <div class="lm-table-warning">Searching parameters : Molecular specie = negative / delta = 0.005 (Da) / PeakForest Instance = metabohub.pf.org +</div> + <div class="lm-table-warning">[Notes: Exp. = experimental, Frag. = fragment, Cpd. = compound, Sp. = spectra, Res. = resolution]</div> + <div id="detail_table_source" style="display:none"></div> + <p> + <div id="choose"> + </div> + <p> + + <div id="ms_search_0" class="ms-search-table"></div> + <!-- HeadRows--> + <table id="detail_table" class="detail"> + <col style="width:relative_length;"><!-- Mass (m/z)--> + <col style="width:relative_length;"><!-- ENTRY_FRAG_MZ--> + <col style="width:relative_length;"><!-- Delta Mass Mmu--> + <col style="width:relative_length;"><!-- ENTRY_ATTRIBUTION--> + <col style="width:relative_length;"><!-- ENTRY_ENTRY_ID--> + <col style="width:relative_length;"><!-- ENTRY_CPDNAME --> + <col style="width:relative_length;"><!-- ENTRY_CPD_MZ --> + <col style="width:relative_length;"><!-- ENTRY_FORMULA --> + <col style="width:relative_length;"><!-- ENTRY_CHEBI --> + <col style="width:relative_length;"><!-- ENTRY_HMDB --> + <col style="width:relative_length;"><!-- ENTRY_SPECTRA_ID--> + <col style="width:relative_length;"><!-- ENTRY_SP_NAME--> + <col style="width:relative_length;"><!-- ENTRY_SP_TYPE--> + <col style="width:relative_length;"><!-- ENTRY_SP_RESOLUTION--> + <col style="width:relative_length;"><!-- ENTRY_SP_QUALITY--> + <thead> + <th>Exp. m/z (Da)</th> + <th>Matched Frag. m/z (Da)</th> + <th>Delta Mmu</th> + <th>Frag. Attribution</th> + <th>Cpd. ID</th> + <th>Cpd. name</th> + <th>Cpd. MW (Da)</th> + <th>Cpd. formula</th> + <th>ChEBI-ID</th> + <th>HMDB-ID</th> + <th>Sp. ID</th> + <th>Sp. name</th> + <th>Sp. type</th> + <th>Sp. res</th> + <th>Sp. quality</th> + </thead> + + <tbody class="select" id="page-id-1"> + + <tr class="white"> + <td id="1" class="center-align" >122.02</td> + <td class="center-align" colspan="16"></td> + </tr> + + <tr class="white"> + <td class="center-align" colspan="1"></td> + <td class="center-align">122.024753</td> + <td class="center-align">0.0048</td> + <td class="center-align">[(M-H)-(CO2)]-</td> + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFc=352" target="_blank" class="btn">352</a></td> + + <td class="center-align">Quinolinic acid</td> + <td class="center-align">167.021857645</td> + <td class="center-align">C7H5NO4</td> + <td class="center-align"><a href="https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16675" target="_blank" class="btn">CHEBI:16675</a></td> + <td class="center-align"><a href="http://www.hmdb.ca/metabolites/HMDB00232" target="_blank" class="btn">HMDB00232</a></td> + + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFs=901" target="_blank" class="btn">901</a></td> + <td class="center-align">null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.41]; </td> + <td class="center-align">fullscan</td> + <td class="center-align">high</td> + <td class="center-align">no curation</td> + </tr> + + <tr class="white"> + <td class="center-align" colspan="1"></td> + <td class="center-align">122.024753</td> + <td class="center-align">0.0048</td> + <td class="center-align">[(M-H)-(CO2)]-</td> + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFc=352" target="_blank" class="btn">352</a></td> + + <td class="center-align">Quinolinic acid</td> + <td class="center-align">167.021857645</td> + <td class="center-align">C7H5NO4</td> + <td class="center-align"><a href="https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16675" target="_blank" class="btn">CHEBI:16675</a></td> + <td class="center-align"><a href="http://www.hmdb.ca/metabolites/HMDB00232" target="_blank" class="btn">HMDB00232</a></td> + + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFs=1078" target="_blank" class="btn">1078</a></td> + <td class="center-align">null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.05]; </td> + <td class="center-align">fullscan</td> + <td class="center-align">high</td> + <td class="center-align">no curation</td> + </tr> + + <tr class="white"> + <td class="center-align" colspan="1"></td> + <td class="center-align">122.024753</td> + <td class="center-align">0.0048</td> + <td class="center-align">[(M-H)]-</td> + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFc=388" target="_blank" class="btn">388</a></td> + + <td class="center-align">2-Picolinic Acid</td> + <td class="center-align">123.032028405</td> + <td class="center-align">C6H5NO2</td> + <td class="center-align"><a href="https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28747" target="_blank" class="btn">CHEBI:28747</a></td> + <td class="center-align"><a href="http://www.hmdb.ca/metabolites/HMDB02243" target="_blank" class="btn">HMDB02243</a></td> + + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFs=1217" target="_blank" class="btn">1217</a></td> + <td class="center-align">null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.22]; </td> + <td class="center-align">fullscan</td> + <td class="center-align">high</td> + <td class="center-align">no curation</td> + </tr> + + <tr class="white"> + <td class="center-align" colspan="1"></td> + <td class="center-align">122.024753</td> + <td class="center-align">0.0048</td> + <td class="center-align">[(M-H)]-</td> + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFc=285" target="_blank" class="btn">285</a></td> + + <td class="center-align">Nicotinic acid</td> + <td class="center-align">123.032028405</td> + <td class="center-align">C6H5NO2</td> + <td class="center-align"><a href="https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15940" target="_blank" class="btn">CHEBI:15940</a></td> + <td class="center-align"><a href="http://www.hmdb.ca/metabolites/HMDB01488" target="_blank" class="btn">HMDB01488</a></td> + + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFs=1733" target="_blank" class="btn">1733</a></td> + <td class="center-align">null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.93]; </td> + <td class="center-align">fullscan</td> + <td class="center-align">high</td> + <td class="center-align">no curation</td> + </tr> + + <tr class="white"> + <td class="center-align" colspan="1"></td> + <td class="center-align">122.024753</td> + <td class="center-align">0.0048</td> + <td class="center-align">[(M-H)]-</td> + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFc=388" target="_blank" class="btn">388</a></td> + + <td class="center-align">2-Picolinic Acid</td> + <td class="center-align">123.032028405</td> + <td class="center-align">C6H5NO2</td> + <td class="center-align"><a href="https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28747" target="_blank" class="btn">CHEBI:28747</a></td> + <td class="center-align"><a href="http://www.hmdb.ca/metabolites/HMDB02243" target="_blank" class="btn">HMDB02243</a></td> + + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFs=2516" target="_blank" class="btn">2516</a></td> + <td class="center-align">null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.99]; </td> + <td class="center-align">fullscan</td> + <td class="center-align">high</td> + <td class="center-align">no curation</td> + </tr> + + <tr class="white"> + <td class="center-align" colspan="1"></td> + <td class="center-align">122.024753</td> + <td class="center-align">0.0048</td> + <td class="center-align">[(M-H)]-</td> + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFc=285" target="_blank" class="btn">285</a></td> + + <td class="center-align">Nicotinic acid</td> + <td class="center-align">123.032028405</td> + <td class="center-align">C6H5NO2</td> + <td class="center-align"><a href="https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15940" target="_blank" class="btn">CHEBI:15940</a></td> + <td class="center-align"><a href="http://www.hmdb.ca/metabolites/HMDB01488" target="_blank" class="btn">HMDB01488</a></td> + + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFs=2850" target="_blank" class="btn">2850</a></td> + <td class="center-align">null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.08]; </td> + <td class="center-align">fullscan</td> + <td class="center-align">high</td> + <td class="center-align">no curation</td> + </tr> + + <tr class="white"> + <td class="center-align" colspan="1"></td> + <td class="center-align">122.024753</td> + <td class="center-align">0.0048</td> + <td class="center-align">[(M-H)]-</td> + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFc=285" target="_blank" class="btn">285</a></td> + + <td class="center-align">Nicotinic acid</td> + <td class="center-align">123.032028405</td> + <td class="center-align">C6H5NO2</td> + <td class="center-align"><a href="https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15940" target="_blank" class="btn">CHEBI:15940</a></td> + <td class="center-align"><a href="http://www.hmdb.ca/metabolites/HMDB01488" target="_blank" class="btn">HMDB01488</a></td> + + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFs=3139" target="_blank" class="btn">3139</a></td> + <td class="center-align">null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.95]; </td> + <td class="center-align">fullscan</td> + <td class="center-align">high</td> + <td class="center-align">no curation</td> + </tr> + + <tr class="white"> + <td class="center-align" colspan="1"></td> + <td class="center-align">122.024753</td> + <td class="center-align">0.0048</td> + <td class="center-align">[(M-H)]-</td> + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFc=388" target="_blank" class="btn">388</a></td> + + <td class="center-align">2-Picolinic Acid</td> + <td class="center-align">123.032028405</td> + <td class="center-align">C6H5NO2</td> + <td class="center-align"><a href="https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28747" target="_blank" class="btn">CHEBI:28747</a></td> + <td class="center-align"><a href="http://www.hmdb.ca/metabolites/HMDB02243" target="_blank" class="btn">HMDB02243</a></td> + + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFs=3567" target="_blank" class="btn">3567</a></td> + <td class="center-align">null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.13]; </td> + <td class="center-align">fullscan</td> + <td class="center-align">high</td> + <td class="center-align">no curation</td> + </tr> + + + </tbody> + + </table> + </div> + + <div class="container"> + <hr> + <footer> + <div class="row"> + <div class="col-lg-12"> + <p> + <a href="http://jigsaw.w3.org/css-validator/check/referer" target="_blank"> + <img style="border:0;width:88px;height:31px" + src="http://jigsaw.w3.org/css-validator/images/vcss-blue" + alt="Valid CSS!" /> + </a> + </p> + <p>Copyright © INRA, MTH-PFEM F. Giacomoni 2019 - Jquery Pluggin by <a href="http://flaviusmatis.github.com/" target="_blank">Flavius Matis</a></p> + </div> + </div> + </footer> + </div> + <script language="javascript"> + $(function() { + $('#choose').pagination({ + items: 1, + itemsOnPage: 1, + currentPage: 1, + onInit: function () { test(1); }, + cssStyle: 'light-theme', + onPageClick: function(pageNumber){test(pageNumber)} + }).pagination('redraw'); + }); + </script> + </body> +</html> \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/outHtml_test01bis.html Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,272 @@ +<?xml version="1.0" encoding="UTF-8" ?> +<!DOCTYPE html> +<html lang="en"> + <head> + <meta charset="utf-8"> + <meta name="viewport" content="width=device-width, initial-scale=1.0"> + <meta name="description" content=""> + <meta name="author" content="INRA de Clermont-Ferrand, UNH, MetaboHUB-PFEM"> + + <title>W4M bih4pforest queries - All results</title> + + <link rel="stylesheet" href="css.php" media="all"> + <link rel="stylesheet" href="https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/style/simplePagination.css"/> + + <!-- JavaScript --> + <script src="https://ajax.googleapis.com/ajax/libs/jquery/1.7.2/jquery.min.js"></script> + <script src="https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/scripts/jquery.simplePagination.js"></script> + <style> + + body {padding-top: 70px} + div.lm-table-warning {font-size: 1.4em;font-weight: bold;padding-right: 25px;color: #21536a;margin-left: 3px;} + tr.green td {background-color: #eaf2d3; color: black;} + tr.blank td {background-color: #9999CC; color: black;} + table {font-family:\"Trebuchet MS\", Arial, Helvetica, sans-serif;width:100%;border-collapse:collapse;} + table.detail, table.detail tr.parent, table.detail td, table.detail th, table.detail tr.category {border-collapse:collapse;border:1px solid #98bf21;} + table.detail th {font-size: 1.2em;text-align: center;padding-top: 5px;padding-bottom: 10px;background-color: #a7c942;color: #ffffff;} + td.center-align {text-align:center;} + footer {margin: 50px 0;} + + </style> + <script> + function test(pageNumber) + { + var page="#page-id-"+pageNumber; + $('.select').hide() + $(page).show() + + } + </script> + </head> + <body> + <div class="container"> + <div class="lm-table-warning">Results of bank_inhouse/PeakForest queries:</div> + <div class="lm-table-warning">Searching parameters : Molecular specie = negative / delta = 0.005 (Da) / PeakForest Instance = metabohub.pf.org +</div> + <div class="lm-table-warning">[Notes: Exp. = experimental, Frag. = fragment, Cpd. = compound, Sp. = spectra, Res. = resolution]</div> + <div id="detail_table_source" style="display:none"></div> + <p> + <div id="choose"> + </div> + <p> + + <div id="ms_search_0" class="ms-search-table"></div> + <!-- HeadRows--> + <table id="detail_table" class="detail"> + <col style="width:relative_length;"><!-- Mass (m/z)--> + <col style="width:relative_length;"><!-- ENTRY_FRAG_MZ--> + <col style="width:relative_length;"><!-- Delta Mass Mmu--> + <col style="width:relative_length;"><!-- ENTRY_ATTRIBUTION--> + <col style="width:relative_length;"><!-- ENTRY_ENTRY_ID--> + <col style="width:relative_length;"><!-- ENTRY_CPDNAME --> + <col style="width:relative_length;"><!-- ENTRY_CPD_MZ --> + <col style="width:relative_length;"><!-- ENTRY_FORMULA --> + <col style="width:relative_length;"><!-- ENTRY_SPECTRA_ID--> + <col style="width:relative_length;"><!-- ENTRY_SP_NAME--> + <col style="width:relative_length;"><!-- ENTRY_SP_TYPE--> + <col style="width:relative_length;"><!-- ENTRY_SP_RESOLUTION--> + <col style="width:relative_length;"><!-- ENTRY_SP_QUALITY--> + <thead> + <th>Exp. m/z (Da)</th> + <th>Matched Frag. m/z (Da)</th> + <th>Delta Mmu</th> + <th>Frag. Attribution</th> + <th>Cpd. ID</th> + <th>Cpd. name</th> + <th>Cpd. MW (Da)</th> + <th>Cpd. formula</th> + <th>Sp. ID</th> + <th>Sp. name</th> + <th>Sp. type</th> + <th>Sp. res</th> + <th>Sp. quality</th> + </thead> + + <tbody class="select" id="page-id-1"> + + <tr class="white"> + <td id="1" class="center-align" >122.02</td> + <td class="center-align" colspan="14"></td> + </tr> + + <tr class="white"> + <td class="center-align" colspan="1"></td> + <td class="center-align">122.024753</td> + <td class="center-align">0.0048</td> + <td class="center-align">[(M-H)-(CO2)]-</td> + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFc=352" target="_blank" class="btn">352</a></td> + + <td class="center-align">Quinolinic acid</td> + <td class="center-align">167.021857645</td> + <td class="center-align">C7H5NO4</td> + + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFs=901" target="_blank" class="btn">901</a></td> + <td class="center-align">null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.41]; </td> + <td class="center-align">fullscan</td> + <td class="center-align">high</td> + <td class="center-align">no curation</td> + </tr> + + <tr class="white"> + <td class="center-align" colspan="1"></td> + <td class="center-align">122.024753</td> + <td class="center-align">0.0048</td> + <td class="center-align">[(M-H)-(CO2)]-</td> + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFc=352" target="_blank" class="btn">352</a></td> + + <td class="center-align">Quinolinic acid</td> + <td class="center-align">167.021857645</td> + <td class="center-align">C7H5NO4</td> + + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFs=1078" target="_blank" class="btn">1078</a></td> + <td class="center-align">null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.05]; </td> + <td class="center-align">fullscan</td> + <td class="center-align">high</td> + <td class="center-align">no curation</td> + </tr> + + <tr class="white"> + <td class="center-align" colspan="1"></td> + <td class="center-align">122.024753</td> + <td class="center-align">0.0048</td> + <td class="center-align">[(M-H)]-</td> + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFc=388" target="_blank" class="btn">388</a></td> + + <td class="center-align">2-Picolinic Acid</td> + <td class="center-align">123.032028405</td> + <td class="center-align">C6H5NO2</td> + + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFs=1217" target="_blank" class="btn">1217</a></td> + <td class="center-align">null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.22]; </td> + <td class="center-align">fullscan</td> + <td class="center-align">high</td> + <td class="center-align">no curation</td> + </tr> + + <tr class="white"> + <td class="center-align" colspan="1"></td> + <td class="center-align">122.024753</td> + <td class="center-align">0.0048</td> + <td class="center-align">[(M-H)]-</td> + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFc=285" target="_blank" class="btn">285</a></td> + + <td class="center-align">Nicotinic acid</td> + <td class="center-align">123.032028405</td> + <td class="center-align">C6H5NO2</td> + + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFs=1733" target="_blank" class="btn">1733</a></td> + <td class="center-align">null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.93]; </td> + <td class="center-align">fullscan</td> + <td class="center-align">high</td> + <td class="center-align">no curation</td> + </tr> + + <tr class="white"> + <td class="center-align" colspan="1"></td> + <td class="center-align">122.024753</td> + <td class="center-align">0.0048</td> + <td class="center-align">[(M-H)]-</td> + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFc=388" target="_blank" class="btn">388</a></td> + + <td class="center-align">2-Picolinic Acid</td> + <td class="center-align">123.032028405</td> + <td class="center-align">C6H5NO2</td> + + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFs=2516" target="_blank" class="btn">2516</a></td> + <td class="center-align">null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.99]; </td> + <td class="center-align">fullscan</td> + <td class="center-align">high</td> + <td class="center-align">no curation</td> + </tr> + + <tr class="white"> + <td class="center-align" colspan="1"></td> + <td class="center-align">122.024753</td> + <td class="center-align">0.0048</td> + <td class="center-align">[(M-H)]-</td> + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFc=285" target="_blank" class="btn">285</a></td> + + <td class="center-align">Nicotinic acid</td> + <td class="center-align">123.032028405</td> + <td class="center-align">C6H5NO2</td> + + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFs=2850" target="_blank" class="btn">2850</a></td> + <td class="center-align">null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.08]; </td> + <td class="center-align">fullscan</td> + <td class="center-align">high</td> + <td class="center-align">no curation</td> + </tr> + + <tr class="white"> + <td class="center-align" colspan="1"></td> + <td class="center-align">122.024753</td> + <td class="center-align">0.0048</td> + <td class="center-align">[(M-H)]-</td> + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFc=285" target="_blank" class="btn">285</a></td> + + <td class="center-align">Nicotinic acid</td> + <td class="center-align">123.032028405</td> + <td class="center-align">C6H5NO2</td> + + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFs=3139" target="_blank" class="btn">3139</a></td> + <td class="center-align">null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.95]; </td> + <td class="center-align">fullscan</td> + <td class="center-align">high</td> + <td class="center-align">no curation</td> + </tr> + + <tr class="white"> + <td class="center-align" colspan="1"></td> + <td class="center-align">122.024753</td> + <td class="center-align">0.0048</td> + <td class="center-align">[(M-H)]-</td> + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFc=388" target="_blank" class="btn">388</a></td> + + <td class="center-align">2-Picolinic Acid</td> + <td class="center-align">123.032028405</td> + <td class="center-align">C6H5NO2</td> + + <td class="center-align"><a href="https://metabohub.peakforest.org/webapp/home?PFs=3567" target="_blank" class="btn">3567</a></td> + <td class="center-align">null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.13]; </td> + <td class="center-align">fullscan</td> + <td class="center-align">high</td> + <td class="center-align">no curation</td> + </tr> + + + </tbody> + + </table> + </div> + + <div class="container"> + <hr> + <footer> + <div class="row"> + <div class="col-lg-12"> + <p> + <a href="http://jigsaw.w3.org/css-validator/check/referer" target="_blank"> + <img style="border:0;width:88px;height:31px" + src="http://jigsaw.w3.org/css-validator/images/vcss-blue" + alt="Valid CSS!" /> + </a> + </p> + <p>Copyright © INRA, MTH-PFEM F. Giacomoni 2019 - Jquery Pluggin by <a href="http://flaviusmatis.github.com/" target="_blank">Flavius Matis</a></p> + </div> + </div> + </footer> + </div> + <script language="javascript"> + $(function() { + $('#choose').pagination({ + items: 1, + itemsOnPage: 1, + currentPage: 1, + onInit: function () { test(1); }, + cssStyle: 'light-theme', + onPageClick: function(pageNumber){test(pageNumber)} + }).pagination('redraw'); + }); + </script> + </body> +</html> \ No newline at end of file
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/outXls_test01.tabular Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,9 @@ +ExpMz FragMz DeltaInMmu Attribution CpdID CpdName CpdMonoMass CpdFormula CpdInChIKey SpectrumID SpName SpType SpRes SpQuality SpSplash +122.02 122.024753 0.0048 [(M-H)-(CO2)]- 352 Quinolinic acid 167.021857645 C7H5NO4 GJAWHXHKYYXBSV-UHFFFAOYSA-N 901 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.41]; fullscan high no curation splash10-014i-0902000000-07151c674a954d7cbbb6 +122.02 122.024753 0.0048 [(M-H)-(CO2)]- 352 Quinolinic acid 167.021857645 C7H5NO4 GJAWHXHKYYXBSV-UHFFFAOYSA-N 1078 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.05]; fullscan high no curation splash10-014i-0902000000-07151c674a954d7cbbb6 +122.02 122.024753 0.0048 [(M-H)]- 388 2-Picolinic Acid 123.032028405 C6H5NO2 SIOXPEMLGUPBBT-UHFFFAOYSA-N 1217 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.22]; fullscan high no curation splash10-00di-0921000000-1c9eb9cb410719cb63fb +122.02 122.024753 0.0048 [(M-H)]- 285 Nicotinic acid 123.032028405 C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N 1733 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.93]; fullscan high no curation splash10-00di-0920000000-7862bf35ee21daa5ec77 +122.02 122.024753 0.0048 [(M-H)]- 388 2-Picolinic Acid 123.032028405 C6H5NO2 SIOXPEMLGUPBBT-UHFFFAOYSA-N 2516 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.99]; fullscan high no curation splash10-00di-0921000000-1c9eb9cb410719cb63fb +122.02 122.024753 0.0048 [(M-H)]- 285 Nicotinic acid 123.032028405 C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N 2850 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.08]; fullscan high no curation splash10-00di-0920000000-7862bf35ee21daa5ec77 +122.02 122.024753 0.0048 [(M-H)]- 285 Nicotinic acid 123.032028405 C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N 3139 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.95]; fullscan high no curation splash10-00di-0920000000-7862bf35ee21daa5ec77 +122.02 122.024753 0.0048 [(M-H)]- 388 2-Picolinic Acid 123.032028405 C6H5NO2 SIOXPEMLGUPBBT-UHFFFAOYSA-N 3567 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.13]; fullscan high no curation splash10-00di-0921000000-1c9eb9cb410719cb63fb
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/outXls_test01bis.tabular Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,9 @@ +ExpMz FragMz DeltaInMmu Attribution CpdID CpdName CpdMonoMass CpdFormula CpdInChIKey SpectrumID SpName SpType SpRes SpQuality SpSplash +122.02 122.024753 0.0048 [(M-H)-(CO2)]- 352 Quinolinic acid 167.021857645 C7H5NO4 GJAWHXHKYYXBSV-UHFFFAOYSA-N 901 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.41]; fullscan high no curation splash10-014i-0902000000-07151c674a954d7cbbb6 +122.02 122.024753 0.0048 [(M-H)-(CO2)]- 352 Quinolinic acid 167.021857645 C7H5NO4 GJAWHXHKYYXBSV-UHFFFAOYSA-N 1078 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.05]; fullscan high no curation splash10-014i-0902000000-07151c674a954d7cbbb6 +122.02 122.024753 0.0048 [(M-H)]- 388 2-Picolinic Acid 123.032028405 C6H5NO2 SIOXPEMLGUPBBT-UHFFFAOYSA-N 1217 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.22]; fullscan high no curation splash10-00di-0921000000-1c9eb9cb410719cb63fb +122.02 122.024753 0.0048 [(M-H)]- 285 Nicotinic acid 123.032028405 C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N 1733 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.93]; fullscan high no curation splash10-00di-0920000000-7862bf35ee21daa5ec77 +122.02 122.024753 0.0048 [(M-H)]- 388 2-Picolinic Acid 123.032028405 C6H5NO2 SIOXPEMLGUPBBT-UHFFFAOYSA-N 2516 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [1.99]; fullscan high no curation splash10-00di-0921000000-1c9eb9cb410719cb63fb +122.02 122.024753 0.0048 [(M-H)]- 285 Nicotinic acid 123.032028405 C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N 2850 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C18; [1.08]; fullscan high no curation splash10-00di-0920000000-7862bf35ee21daa5ec77 +122.02 122.024753 0.0048 [(M-H)]- 285 Nicotinic acid 123.032028405 C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N 3139 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Discovery HS F5 PFPP; [2.95]; fullscan high no curation splash10-00di-0920000000-7862bf35ee21daa5ec77 +122.02 122.024753 0.0048 [(M-H)]- 388 2-Picolinic Acid 123.032028405 C6H5NO2 SIOXPEMLGUPBBT-UHFFFAOYSA-N 3567 null; LC-UNKNOWN-NA; MS; NEGATIVE; 2017-01-01; Hypersil GOLD C8; [1.13]; fullscan high no curation splash10-00di-0921000000-1c9eb9cb410719cb63fb
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/out_test01.tabular Tue Mar 19 04:18:33 2019 -0400 @@ -0,0 +1,12 @@ +MASS_Submit DELTA_mass(0.05Da) MASS_Result id mz +154.0499 0 154.0499 584 154.0499 +154.0499 0.0123 154.0622 1845 154.0622 +152.0352 0.0055 152.0297 1212 152.0297 +152.0352 0.003252804903 152.031947195097 1444 152.031947195097 +152.0352 0 152.0352 584 152.0352 +152.0352 0.012 152.0472 1941 152.0472 +152.0352 0.0185 152.0537 1851 152.0537 +152.0352 0.0212 152.0564 1114 152.0564 +152.0352 0.0355 152.0707 1841 152.0707 +123.45 no results found +124.96 no results found \ No newline at end of file