view test-data/winter_pos.tabular @ 2:d040e27b6225 draft

planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 59631850110e60900d03f642c445cc35a36414b5
author tomnl
date Mon, 03 Jun 2019 11:20:55 -0400
parents c1b168770b68
children 5ee936e570a7
line wrap: on
line source

"name"	"sample_name"	"CompoundName"	"ExplPeaks"	"FormulasOfExplPeaks"	"FragmenterScore"	"FragmenterScore_Values"	"IUPACName"	"Identifier"	"InChI"	"InChIKey"	"InChIKey1"	"InChIKey2"	"InChIKey3"	"MaximumTreeDepth"	"MolecularFormula"	"MonoisotopicMass"	"NoExplPeaks"	"NumberPeaksUsed"	"OfflineMetFusionScore"	"SMILES"	"Score"	"XlogP3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"57097772"	"InChI=1S/C11H18/c1-8-6-10-4-3-5-11(7-10)9(8)2/h8,10H,3-7H2,1-2H3"	"NKVGHIFQMODLML-UHFFFAOYSA-N"	"NKVGHIFQMODLML"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4759185449357439"	"CC1CC2CCCC(=C1C)C2"	"1.0"	"3.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123862158"	"InChI=1S/C11H18/c1-9-6-10-4-3-5-11(2,7-9)8-10/h6,9H,3-5,7-8H2,1-2H3"	"ANEPZKZKOCFFGZ-UHFFFAOYSA-N"	"ANEPZKZKOCFFGZ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4759185449357439"	"CC1CC2(CCCC(=C1)C2)C"	"1.0"	"3.6"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"23572814"	"InChI=1S/C11H18/c1-8-7-9(2)11-6-4-3-5-10(8)11/h5,8-9,11H,3-4,6-7H2,1-2H3"	"AWRAHASOTNYZKG-UHFFFAOYSA-N"	"AWRAHASOTNYZKG"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4691432759560821"	"CC1CC(C2=CCCCC12)C"	"0.9857638054836114"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"91464287"	"InChI=1S/C11H18/c1-8-4-3-5-10-9(2)6-7-11(8)10/h5,8-9,11H,3-4,6-7H2,1-2H3"	"KQFVIHGCJIHYBE-UHFFFAOYSA-N"	"KQFVIHGCJIHYBE"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4691432759560821"	"CC1CCC=C2C1CCC2C"	"0.9857638054836114"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"102060976"	"InChI=1S/C11H18/c1-8-3-6-11-9(2)4-5-10(11)7-8/h8-9H,3-7H2,1-2H3/t8-,9?/m0/s1"	"CCWOOSDBXPBLBP-IENPIDJESA-N"	"CCWOOSDBXPBLBP"	"IENPIDJESA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4691432759560821"	"C[C@H]1CCC2=C(C1)CCC2C"	"0.9857638054836114"	"3.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"18654667"	"InChI=1S/C11H18/c1-8-3-5-11-7-10(8)6-4-9(11)2/h3,9-11H,4-7H2,1-2H3/t9?,10-,11?/m0/s1"	"FKYOCEOZBKUYFQ-YVNMAJEFSA-N"	"FKYOCEOZBKUYFQ"	"YVNMAJEFSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.46685772938251796"	"CC1CC[C@H]2CC1CC=C2C"	"0.9809614152471211"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"18955635"	"InChI=1S/C11H18/c1-8-3-5-11-7-10(8)6-4-9(11)2/h3,9-11H,4-7H2,1-2H3"	"FKYOCEOZBKUYFQ-UHFFFAOYSA-N"	"FKYOCEOZBKUYFQ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.46685772938251796"	"CC1CCC2CC1CC=C2C"	"0.9809614152471211"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"13418777"	"InChI=1S/C11H18/c1-8-6-7-10-4-3-5-11(10)9(8)2/h10-11H,3-7H2,1-2H3"	"GYGOFTXACXTBEK-UHFFFAOYSA-N"	"GYGOFTXACXTBEK"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4595568494560203"	"CC1=C(C2CCCC2CC1)C"	"0.9656208070607278"	"3.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"14415238"	"InChI=1S/C11H18/c1-8-6-10-4-3-5-11(10)7-9(8)2/h10-11H,3-7H2,1-2H3"	"UEZPGWBLHGAMDK-UHFFFAOYSA-N"	"UEZPGWBLHGAMDK"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4595568494560203"	"CC1=C(CC2CCCC2C1)C"	"0.9656208070607278"	"3.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"14415239"	"InChI=1S/C11H18/c1-8-6-10-4-3-5-11(10)7-9(8)2/h10-11H,3-7H2,1-2H3/t10-,11+"	"UEZPGWBLHGAMDK-PHIMTYICSA-N"	"UEZPGWBLHGAMDK"	"PHIMTYICSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4595568494560203"	"CC1=C(C[C@@H]2CCC[C@@H]2C1)C"	"0.9656208070607278"	"3.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"53631767"	"InChI=1S/C11H18/c1-8-3-4-10-6-9(2)7-11(10)5-8/h6,8,10-11H,3-5,7H2,1-2H3"	"FQTVIRWKCRLCDM-UHFFFAOYSA-N"	"FQTVIRWKCRLCDM"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4595568494560203"	"CC1CCC2C=C(CC2C1)C"	"0.9656208070607278"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"58890725"	"InChI=1S/C11H18/c1-8-6-7-10-4-3-5-11(10)9(8)2/h10-11H,3-7H2,1-2H3/t10-,11-/m0/s1"	"GYGOFTXACXTBEK-QWRGUYRKSA-N"	"GYGOFTXACXTBEK"	"QWRGUYRKSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4595568494560203"	"CC1=C([C@@H]2CCC[C@H]2CC1)C"	"0.9656208070607278"	"3.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"58890737"	"InChI=1S/C11H18/c1-8-6-7-10-4-3-5-11(10)9(8)2/h10-11H,3-7H2,1-2H3/t10-,11+/m1/s1"	"GYGOFTXACXTBEK-MNOVXSKESA-N"	"GYGOFTXACXTBEK"	"MNOVXSKESA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4595568494560203"	"CC1=C([C@@H]2CCC[C@@H]2CC1)C"	"0.9656208070607278"	"3.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"101484944"	"InChI=1S/C11H18/c1-8-6-10-4-3-5-11(10)7-9(8)2/h10-11H,3-7H2,1-2H3/t10-,11-/m0/s1"	"UEZPGWBLHGAMDK-QWRGUYRKSA-N"	"UEZPGWBLHGAMDK"	"QWRGUYRKSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4595568494560203"	"CC1=C(C[C@@H]2CCC[C@H]2C1)C"	"0.9656208070607278"	"3.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"101488019"	"InChI=1S/C11H18/c1-8-6-10-4-3-5-11(10)7-9(8)2/h10-11H,3-7H2,1-2H3/t10-,11-/m1/s1"	"UEZPGWBLHGAMDK-GHMZBOCLSA-N"	"UEZPGWBLHGAMDK"	"GHMZBOCLSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4595568494560203"	"CC1=C(C[C@H]2CCC[C@@H]2C1)C"	"0.9656208070607278"	"3.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"102000378"	"InChI=1S/C11H18/c1-8-3-4-10-6-9(2)7-11(10)5-8/h6,8,10-11H,3-5,7H2,1-2H3/t8?,10-,11-/m0/s1"	"FQTVIRWKCRLCDM-CSUXEGHOSA-N"	"FQTVIRWKCRLCDM"	"CSUXEGHOSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4595568494560203"	"CC1CC[C@H]2C=C(C[C@@H]2C1)C"	"0.9656208070607278"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"102000379"	"InChI=1S/C11H18/c1-8-3-4-10-6-9(2)7-11(10)5-8/h6,8,10-11H,3-5,7H2,1-2H3/t8?,10-,11-/m1/s1"	"FQTVIRWKCRLCDM-GUJYYOPSSA-N"	"FQTVIRWKCRLCDM"	"GUJYYOPSSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4595568494560203"	"CC1CC[C@@H]2C=C(C[C@H]2C1)C"	"0.9656208070607278"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123467704"	"InChI=1S/C11H18/c1-9-6-8-11(2)7-4-3-5-10(9)11/h6,10H,3-5,7-8H2,1-2H3"	"OIYPBQLQNUCVMZ-UHFFFAOYSA-N"	"OIYPBQLQNUCVMZ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4595568494560203"	"CC1=CCC2(C1CCCC2)C"	"0.9656208070607278"	"3.7"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"584965"	"InChI=1S/C11H18/c1-11-8-4-2-6-10(11)7-3-5-9-11/h6H,2-5,7-9H2,1H3"	"GCLZXEJWFDSXJZ-UHFFFAOYSA-N"	"GCLZXEJWFDSXJZ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4578507787218282"	"CC12CCCCC1=CCCC2"	"0.9620360114011629"	"4.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"12753766"	"InChI=1S/C11H18/c1-9-5-4-7-10-6-2-3-8-11(9)10/h10H,2-8H2,1H3"	"LHWQLWNWNYLHQE-UHFFFAOYSA-N"	"LHWQLWNWNYLHQE"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4578507787218282"	"CC1=C2CCCCC2CCC1"	"0.9620360114011629"	"3.4"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"13530967"	"InChI=1S/C11H18/c1-9-6-7-10-4-2-3-5-11(10)8-9/h9H,2-8H2,1H3"	"FDNGWGRBRRUBHN-UHFFFAOYSA-N"	"FDNGWGRBRRUBHN"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4578507787218282"	"CC1CCC2=C(C1)CCCC2"	"0.9620360114011629"	"3.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"13530968"	"InChI=1S/C11H18/c1-9-5-4-7-10-6-2-3-8-11(9)10/h9H,2-8H2,1H3"	"XZXCIRORFQUUAT-UHFFFAOYSA-N"	"XZXCIRORFQUUAT"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4578507787218282"	"CC1CCCC2=C1CCCC2"	"0.9620360114011629"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"14119870"	"InChI=1S/C11H18/c1-9-5-4-7-10-6-2-3-8-11(9)10/h8-10H,2-7H2,1H3"	"RWVLUKBXMQLXQF-UHFFFAOYSA-N"	"RWVLUKBXMQLXQF"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4578507787218282"	"CC1CCCC2C1=CCCC2"	"0.9620360114011629"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"91585868"	"InChI=1S/C11H18/c1-9-6-7-10-4-2-3-5-11(10)8-9/h4,9,11H,2-3,5-8H2,1H3"	"ZFPGHLMVHAPVAD-UHFFFAOYSA-N"	"ZFPGHLMVHAPVAD"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4578507787218282"	"CC1CCC2=CCCCC2C1"	"0.9620360114011629"	"3.7"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"100929671"	"InChI=1S/C11H18/c1-9-5-4-7-10-6-2-3-8-11(9)10/h8-10H,2-7H2,1H3/t9-,10?/m1/s1"	"RWVLUKBXMQLXQF-YHMJZVADSA-N"	"RWVLUKBXMQLXQF"	"YHMJZVADSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4578507787218282"	"C[C@@H]1CCCC2C1=CCCC2"	"0.9620360114011629"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"101265488"	"InChI=1S/C11H18/c1-11-8-4-2-6-10(11)7-3-5-9-11/h6H,2-5,7-9H2,1H3/t11-/m1/s1"	"GCLZXEJWFDSXJZ-LLVKDONJSA-N"	"GCLZXEJWFDSXJZ"	"LLVKDONJSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4578507787218282"	"C[C@@]12CCCCC1=CCCC2"	"0.9620360114011629"	"4.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"101738491"	"InChI=1S/C11H18/c1-11-8-4-2-6-10(11)7-3-5-9-11/h6H,2-5,7-9H2,1H3/t11-/m0/s1"	"GCLZXEJWFDSXJZ-NSHDSACASA-N"	"GCLZXEJWFDSXJZ"	"NSHDSACASA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4578507787218282"	"C[C@]12CCCCC1=CCCC2"	"0.9620360114011629"	"4.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123558079"	"InChI=1S/C11H18/c1-9-6-7-10-4-2-3-5-11(10)8-9/h8-10H,2-7H2,1H3"	"AXFVXTSNBHJJTN-UHFFFAOYSA-N"	"AXFVXTSNBHJJTN"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4578507787218282"	"CC1CCC2CCCCC2=C1"	"0.9620360114011629"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"18711408"	"InChI=1S/C11H18/c1-11(2)7-9-5-3-4-6-10(9)8-11/h3-8H2,1-2H3"	"IIEJHDMZLXWOET-UHFFFAOYSA-N"	"IIEJHDMZLXWOET"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4575255592487867"	"CC1(CC2=C(C1)CCCC2)C"	"0.9613526602762652"	"3.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"91616385"	"InChI=1S/C11H18/c1-11(2)7-6-9-4-3-5-10(11)8-9/h3-4,9-10H,5-8H2,1-2H3"	"NSTGXBPDKNRESQ-UHFFFAOYSA-N"	"NSTGXBPDKNRESQ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4558796516425082"	"CC1(CCC2CC1CC=C2)C"	"0.9578942793751791"	"4.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123219783"	"InChI=1S/C11H18/c1-7-8-3-4-10-9(8)5-6-11(7,10)2/h7-10H,3-6H2,1-2H3"	"NKHIFQONBHZWKE-UHFFFAOYSA-N"	"NKHIFQONBHZWKE"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.45491393152435805"	"CC1C2CCC3C2CCC13C"	"0.9558651083575198"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"59620811"	"InChI=1S/C11H18/c1-8-6-10-5-4-9(8)7-11(10,2)3/h6,9-10H,4-5,7H2,1-3H3"	"QYFIJFZVMCAGRH-UHFFFAOYSA-N"	"QYFIJFZVMCAGRH"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4542353858765964"	"CC1=CC2CCC1CC2(C)C"	"0.9544393483089105"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"23579339"	"InChI=1S/C11H18/c1-11(2)8-4-6-9-5-3-7-10(9)11/h3,5,9-10H,4,6-8H2,1-2H3"	"FMNZUVSYKGBCIA-UHFFFAOYSA-N"	"FMNZUVSYKGBCIA"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4523224252875961"	"CC1(CCCC2C1CC=C2)C"	"0.9504198357066888"	"4.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"23572815"	"InChI=1S/C11H18/c1-8-7-9(2)11-6-4-3-5-10(8)11/h3,5,8-11H,4,6-7H2,1-2H3"	"YEZKPXMRMKNLNA-UHFFFAOYSA-N"	"YEZKPXMRMKNLNA"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4513075372782842"	"CC1CC(C2C1CCC=C2)C"	"0.9482873531209368"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"44558658"	"InChI=1S/C11H18/c1-8-6-7-9(2)11-5-3-4-10(8)11/h3-4,8-11H,5-7H2,1-2H3"	"ZVTXCZKBXJBXAC-UHFFFAOYSA-N"	"ZVTXCZKBXJBXAC"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4513075372782842"	"CC1CCC(C2C1CC=C2)C"	"0.9482873531209368"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"23135729"	"InChI=1S/C11H18/c1-8-9-5-6-11(4,7-9)10(8,2)3/h5-7H2,1-4H3"	"FXJCQTVUCKMJAW-UHFFFAOYSA-N"	"FXJCQTVUCKMJAW"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4510299368435189"	"CC1=C2CCC(C2)(C1(C)C)C"	"0.9477040591146004"	"2.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"57098504"	"InChI=1S/C11H18/c1-8-7-11(4)6-5-9(8)10(11,2)3/h5-7H2,1-4H3"	"VGMNVZAIXSHJKU-UHFFFAOYSA-N"	"VGMNVZAIXSHJKU"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4510299368435189"	"CC1=C2CCC(C1)(C2(C)C)C"	"0.9477040591146004"	"2.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"57279457"	"InChI=1S/C11H18/c1-7(2)11-9-4-5-10(11)8(3)6-9/h7-8,10H,4-6H2,1-3H3"	"AOEGLRMBZHIBLH-UHFFFAOYSA-N"	"AOEGLRMBZHIBLH"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4510299368435189"	"CC1CC2=C(C1CC2)C(C)C"	"0.9477040591146004"	"2.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123336713"	"InChI=1S/C11H18/c1-8-9(2)11(3)6-4-10(8)5-7-11/h10H,4-7H2,1-3H3"	"UQNZUETWJLZABU-UHFFFAOYSA-N"	"UQNZUETWJLZABU"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.45091683070863764"	"CC1=C(C2(CCC1CC2)C)C"	"0.9474664005150674"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"145441"	"InChI=1S/C11H18/c1-8(2)11-7-9-3-5-10(11)6-4-9/h3,5,8-11H,4,6-7H2,1-2H3"	"MWCYZAVQYCJVIJ-UHFFFAOYSA-N"	"MWCYZAVQYCJVIJ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.45005781579491894"	"CC(C)C1CC2CCC1C=C2"	"0.9456614384625072"	"4.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"21122549"	"InChI=1S/C11H18/c1-8(2)11-7-9-3-5-10(11)6-4-9/h3,5,8-11H,4,6-7H2,1-2H3/t9-,10+,11-/m0/s1"	"MWCYZAVQYCJVIJ-AXFHLTTASA-N"	"MWCYZAVQYCJVIJ"	"AXFHLTTASA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.45005781579491894"	"CC(C)[C@@H]1C[C@@H]2CC[C@H]1C=C2"	"0.9456614384625072"	"4.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"21122550"	"InChI=1S/C11H18/c1-8(2)11-7-9-3-5-10(11)6-4-9/h3,5,8-11H,4,6-7H2,1-2H3/t9-,10+,11+/m0/s1"	"MWCYZAVQYCJVIJ-HBNTYKKESA-N"	"MWCYZAVQYCJVIJ"	"HBNTYKKESA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.45005781579491894"	"CC(C)[C@H]1C[C@@H]2CC[C@H]1C=C2"	"0.9456614384625072"	"4.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"131843722"	"InChI=1S/C11H18/c1-8(2)11-7-9-3-5-10(11)6-4-9/h3,5,8-11H,4,6-7H2,1-2H3/t9-,10+,11+/m1/s1"	"MWCYZAVQYCJVIJ-VWYCJHECSA-N"	"MWCYZAVQYCJVIJ"	"VWYCJHECSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.45005781579491894"	"CC(C)[C@@H]1C[C@H]2CC[C@@H]1C=C2"	"0.9456614384625072"	"4.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"12714806"	"InChI=1S/C11H18/c1-9-6-7-10-4-2-3-5-11(10)8-9/h8,10-11H,2-7H2,1H3"	"CEFOPBSQVKVXCZ-UHFFFAOYSA-N"	"CEFOPBSQVKVXCZ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4495263356304397"	"CC1=CC2CCCCC2CC1"	"0.9445446923929649"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"71362160"	"InChI=1S/C11H18/c1-9-6-7-10-4-2-3-5-11(10)8-9/h6,10-11H,2-5,7-8H2,1H3/t10-,11-/m1/s1"	"FJXYOHNLBQBSQQ-GHMZBOCLSA-N"	"FJXYOHNLBQBSQQ"	"GHMZBOCLSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4495263356304397"	"CC1=CC[C@H]2CCCC[C@@H]2C1"	"0.9445446923929649"	"3.7"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"101484942"	"InChI=1S/C11H18/c1-9-6-7-10-4-2-3-5-11(10)8-9/h6,10-11H,2-5,7-8H2,1H3/t10-,11+/m0/s1"	"FJXYOHNLBQBSQQ-WDEREUQCSA-N"	"FJXYOHNLBQBSQQ"	"WDEREUQCSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4495263356304397"	"CC1=CC[C@@H]2CCCC[C@@H]2C1"	"0.9445446923929649"	"3.7"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"71353652"	"InChI=1S/C11H18/c1-8-7-9(2)11-6-4-3-5-10(8)11/h7-8,10-11H,3-6H2,1-2H3"	"JSLAHPSABJESQD-UHFFFAOYSA-N"	"JSLAHPSABJESQD"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.44915587882452057"	"CC1C=C(C2C1CCCC2)C"	"0.9437662885886561"	"3.6"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"22335883"	"InChI=1S/C11H18/c1-8(2)5-11-7-9-3-4-10(11)6-9/h8-9H,3-7H2,1-2H3"	"DLQUHCNGOARSIB-UHFFFAOYSA-N"	"DLQUHCNGOARSIB"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.448926955918928"	"CC(C)CC1=C2CCC(C2)C1"	"0.9432852758018493"	"2.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123796197"	"InChI=1S/C11H18/c1-10(2)7-11-5-8(6-11)3-4-9(10)11/h8-9H,3-7H2,1-2H3"	"WRGJTMPTFIJJHP-UHFFFAOYSA-N"	"WRGJTMPTFIJJHP"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.44704455975908386"	"CC1(CC23C1CCC(C2)C3)C"	"0.9393299851751764"	"4.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"14706526"	"InChI=1S/C11H18/c1-8-9-4-6-10(7-5-9)11(8,2)3/h9-10H,1,4-7H2,2-3H3"	"YLOCUZVUXLPMLZ-UHFFFAOYSA-N"	"YLOCUZVUXLPMLZ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.44641999840160723"	"CC1(C2CCC(C1=C)CC2)C"	"0.9380176569120259"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123481472"	"InChI=1S/C11H18/c1-3-10-8(2)4-5-9-6-7-11(9)10/h7-10H,3-6H2,1-2H3"	"ACRREBNSWSXBPE-UHFFFAOYSA-N"	"ACRREBNSWSXBPE"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.44385759395798785"	"CCC1C(CCC2C1=CC2)C"	"0.9326335329460953"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"54391498"	"InChI=1S/C11H18/c1-8-9(2)11(4)6-5-10(8,3)7-11/h5-7H2,1-4H3"	"VGYSUILKTYLBFE-UHFFFAOYSA-N"	"VGYSUILKTYLBFE"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.44359937782882936"	"CC1=C(C2(CCC1(C2)C)C)C"	"0.9320909692408011"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"100966049"	"InChI=1S/C11H18/c1-11(2)8-5-7-3-4-9(7)10(11)6-8/h7-10H,3-6H2,1-2H3/t7-,8-,9?,10-/m1/s1"	"HHVZHGHRUYAVRF-XKSJUCENSA-N"	"HHVZHGHRUYAVRF"	"XKSJUCENSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.44254310111358425"	"CC1([C@@H]2C[C@H]3CCC3[C@H]1C2)C"	"0.9298715207101966"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"143936"	"InChI=1S/C11H18/c1-11-8-4-2-6-10(11)7-3-5-9-11/h2,6,10H,3-5,7-9H2,1H3"	"RKPODBOKSGTKIR-UHFFFAOYSA-N"	"RKPODBOKSGTKIR"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4424356212136653"	"CC12CCCCC1C=CCC2"	"0.9296456839550152"	"4.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"565931"	"InChI=1S/C11H18/c1-11-8-4-2-6-10(11)7-3-5-9-11/h2,4,10H,3,5-9H2,1H3"	"NZFQZAHKPUYPEP-UHFFFAOYSA-N"	"NZFQZAHKPUYPEP"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4424356212136653"	"CC12CCCCC1CC=CC2"	"0.9296456839550152"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"11954612"	"InChI=1S/C11H18/c1-11-8-4-2-6-10(11)7-3-5-9-11/h2,4,10H,3,5-9H2,1H3/t10-,11+/m1/s1"	"NZFQZAHKPUYPEP-MNOVXSKESA-N"	"NZFQZAHKPUYPEP"	"MNOVXSKESA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4424356212136653"	"C[C@]12CCCC[C@H]1CC=CC2"	"0.9296456839550152"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"12496100"	"InChI=1S/C11H18/c1-11-8-4-2-6-10(11)7-3-5-9-11/h2,4,10H,3,5-9H2,1H3/t10-,11-/m0/s1"	"NZFQZAHKPUYPEP-QWRGUYRKSA-N"	"NZFQZAHKPUYPEP"	"QWRGUYRKSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4424356212136653"	"C[C@]12CCCC[C@@H]1CC=CC2"	"0.9296456839550152"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"12594000"	"InChI=1S/C11H18/c1-11-8-4-2-6-10(11)7-3-5-9-11/h2,6,10H,3-5,7-9H2,1H3/t10-,11-/m0/s1"	"RKPODBOKSGTKIR-QWRGUYRKSA-N"	"RKPODBOKSGTKIR"	"QWRGUYRKSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4424356212136653"	"C[C@]12CCCC[C@@H]1C=CCC2"	"0.9296456839550152"	"4.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"12594001"	"InChI=1S/C11H18/c1-11-8-4-2-6-10(11)7-3-5-9-11/h2,6,10H,3-5,7-9H2,1H3/t10-,11+/m1/s1"	"RKPODBOKSGTKIR-MNOVXSKESA-N"	"RKPODBOKSGTKIR"	"MNOVXSKESA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4424356212136653"	"C[C@]12CCCC[C@H]1C=CCC2"	"0.9296456839550152"	"4.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"20112240"	"InChI=1S/C11H18/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2,4,9-11H,3,5-8H2,1H3"	"HSIZGRVUSHXSDO-UHFFFAOYSA-N"	"HSIZGRVUSHXSDO"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4424356212136653"	"CC1CCC2C=CCCC2C1"	"0.9296456839550152"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"21122477"	"InChI=1S/C11H18/c1-11-8-4-2-6-10(11)7-3-5-9-11/h2,6,10H,3-5,7-9H2,1H3/t10-,11+/m0/s1"	"RKPODBOKSGTKIR-WDEREUQCSA-N"	"RKPODBOKSGTKIR"	"WDEREUQCSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4424356212136653"	"C[C@@]12CCCC[C@@H]1C=CCC2"	"0.9296456839550152"	"4.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"45091701"	"InChI=1S/C11H18/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-3,9-11H,4-8H2,1H3/t9-,10+,11-/m1/s1"	"ZJVJRONNYPEBTI-OUAUKWLOSA-N"	"ZJVJRONNYPEBTI"	"OUAUKWLOSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4424356212136653"	"C[C@@H]1CCC[C@H]2[C@@H]1CC=CC2"	"0.9296456839550152"	"4.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"45091721"	"InChI=1S/C11H18/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2,6,9-11H,3-5,7-8H2,1H3/t9-,10+,11+/m1/s1"	"LMIPOBKYEKWVBB-VWYCJHECSA-N"	"LMIPOBKYEKWVBB"	"VWYCJHECSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4424356212136653"	"C[C@@H]1CCC[C@H]2[C@H]1CCC=C2"	"0.9296456839550152"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"92008948"	"InChI=1S/C11H18/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2,6,9-11H,3-5,7-8H2,1H3"	"LMIPOBKYEKWVBB-UHFFFAOYSA-N"	"LMIPOBKYEKWVBB"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4424356212136653"	"CC1CCCC2C1CCC=C2"	"0.9296456839550152"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"101355889"	"InChI=1S/C11H18/c1-11-8-4-2-6-10(11)7-3-5-9-11/h2,6,10H,3-5,7-9H2,1H3/t10?,11-/m1/s1"	"RKPODBOKSGTKIR-RRKGBCIJSA-N"	"RKPODBOKSGTKIR"	"RRKGBCIJSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4424356212136653"	"C[C@@]12CCCCC1C=CCC2"	"0.9296456839550152"	"4.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"101637859"	"InChI=1S/C11H18/c1-11-8-4-2-6-10(11)7-3-5-9-11/h2,4,10H,3,5-9H2,1H3/t10-,11-/m1/s1"	"NZFQZAHKPUYPEP-GHMZBOCLSA-N"	"NZFQZAHKPUYPEP"	"GHMZBOCLSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4424356212136653"	"C[C@@]12CCCC[C@H]1CC=CC2"	"0.9296456839550152"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"101738492"	"InChI=1S/C11H18/c1-11-8-4-2-6-10(11)7-3-5-9-11/h2,6,10H,3-5,7-9H2,1H3/t10-,11-/m1/s1"	"RKPODBOKSGTKIR-GHMZBOCLSA-N"	"RKPODBOKSGTKIR"	"GHMZBOCLSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4424356212136653"	"C[C@@]12CCCC[C@H]1C=CCC2"	"0.9296456839550152"	"4.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"130966595"	"InChI=1S/C11H18/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2,6,9-11H,3-5,7-8H2,1H3/t9-,10+,11+/m0/s1"	"LMIPOBKYEKWVBB-HBNTYKKESA-N"	"LMIPOBKYEKWVBB"	"HBNTYKKESA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4424356212136653"	"C[C@H]1CCC[C@@H]2[C@@H]1CCC=C2"	"0.9296456839550152"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"131885238"	"InChI=1S/C11H18/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-3,9-11H,4-8H2,1H3"	"ZJVJRONNYPEBTI-UHFFFAOYSA-N"	"ZJVJRONNYPEBTI"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4424356212136653"	"CC1CCCC2C1CC=CC2"	"0.9296456839550152"	"4.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"556697"	"InChI=1S/C11H18/c1-7(2)11-8(3)9-4-5-10(11)6-9/h8-11H,1,4-6H2,2-3H3"	"IRPRKIQMQZXQAK-UHFFFAOYSA-N"	"IRPRKIQMQZXQAK"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4421955956463891"	"CC1C2CCC(C2)C1C(=C)C"	"0.9291413422565664"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"18798524"	"InChI=1S/C11H18/c1-9-3-2-4-10-5-7-11(9)8-6-10/h10H,2-8H2,1H3"	"BSIUNRNLGBDITE-UHFFFAOYSA-N"	"BSIUNRNLGBDITE"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4421784747180243"	"CC1=C2CCC(CCC1)CC2"	"0.9291053677635633"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"90869271"	"InChI=1S/C11H18/c1-9-8-10-4-2-3-5-11(9)7-6-10/h5,9-10H,2-4,6-8H2,1H3"	"XLDFKTWSSKJBFY-UHFFFAOYSA-N"	"XLDFKTWSSKJBFY"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4421784747180243"	"CC1CC2CCCC=C1CC2"	"0.9291053677635633"	"3.7"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"122216813"	"InChI=1S/C11H18/c1-8-6-7-10-4-3-5-11(10)9(8)2/h6-11H,3-5H2,1-2H3"	"QHDXLNOQEJKOQI-UHFFFAOYSA-N"	"QHDXLNOQEJKOQI"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4420555564026087"	"CC1C=CC2CCCC2C1C"	"0.9288470918112526"	"4.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123325713"	"InChI=1S/C11H18/c1-8-6-7-9(2)11-5-3-4-10(8)11/h6-11H,3-5H2,1-2H3"	"VNDFLXYVAODUDX-UHFFFAOYSA-N"	"VNDFLXYVAODUDX"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4420555564026087"	"CC1C=CC(C2C1CCC2)C"	"0.9288470918112526"	"4.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"53962441"	"InChI=1S/C11H18/c1-4-8-5-6-9-7-10(8)11(9,2)3/h4,9-10H,5-7H2,1-3H3"	"DWCCJLJPVSWYNL-UHFFFAOYSA-N"	"DWCCJLJPVSWYNL"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.44123147131879353"	"CC=C1CCC2CC1C2(C)C"	"0.9271155243138641"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"71381253"	"InChI=1S/C11H18/c1-4-8-5-6-9-7-10(8)11(9,2)3/h4,9-10H,5-7H2,1-3H3/t9-,10-/m0/s1"	"DWCCJLJPVSWYNL-UWVGGRQHSA-N"	"DWCCJLJPVSWYNL"	"UWVGGRQHSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.44123147131879353"	"CC=C1CC[C@H]2C[C@@H]1C2(C)C"	"0.9271155243138641"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"101268333"	"InChI=1S/C11H18/c1-4-8-5-6-9-7-10(8)11(9,2)3/h4,9-10H,5-7H2,1-3H3/b8-4-/t9-,10-/m0/s1"	"DWCCJLJPVSWYNL-BBYBGLFNSA-N"	"DWCCJLJPVSWYNL"	"BBYBGLFNSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.44123147131879353"	"C/C=C\1/CC[C@H]2C[C@@H]1C2(C)C"	"0.9271155243138641"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"101268334"	"InChI=1S/C11H18/c1-4-8-5-6-9-7-10(8)11(9,2)3/h4,9-10H,5-7H2,1-3H3/b8-4+/t9-,10-/m0/s1"	"DWCCJLJPVSWYNL-DQRKKKBRSA-N"	"DWCCJLJPVSWYNL"	"DQRKKKBRSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.44123147131879353"	"C/C=C/1\CC[C@H]2C[C@@H]1C2(C)C"	"0.9271155243138641"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"102132193"	"InChI=1S/C11H18/c1-4-8-5-6-9-7-10(8)11(9,2)3/h4,9-10H,5-7H2,1-3H3/b8-4+"	"DWCCJLJPVSWYNL-XBXARRHUSA-N"	"DWCCJLJPVSWYNL"	"XBXARRHUSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.44123147131879353"	"C/C=C/1\CCC2CC1C2(C)C"	"0.9271155243138641"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"134888633"	"InChI=1S/C11H18/c1-4-8-5-6-9-7-10(8)11(9,2)3/h4,9-10H,5-7H2,1-3H3/b8-4+/t9-,10-/m1/s1"	"DWCCJLJPVSWYNL-PSVJHUJZSA-N"	"DWCCJLJPVSWYNL"	"PSVJHUJZSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.44123147131879353"	"C/C=C/1\CC[C@@H]2C[C@H]1C2(C)C"	"0.9271155243138641"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123244149"	"InChI=1S/C11H18/c1-8-3-4-10-5-6-11(8)9(2)7-10/h4,8-9,11H,3,5-7H2,1-2H3"	"VTVTVFLJEUYQKG-UHFFFAOYSA-N"	"VTVTVFLJEUYQKG"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.44062040841544964"	"CC1CC=C2CCC1C(C2)C"	"0.925831559001215"	"3.4"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123750976"	"InChI=1S/C11H18/c1-8-3-10-5-9(2)6-11(4-8)7-10/h3,8-9,11H,4-7H2,1-2H3"	"TYLDYRXUSGMCFR-UHFFFAOYSA-N"	"TYLDYRXUSGMCFR"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.440577329939098"	"CC1CC2CC(C=C(C1)C2)C"	"0.9257410425109248"	"3.4"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"90841874"	"InChI=1S/C11H18/c1-10(2)8-4-3-5-11(6-8)7-9(10)11/h8-9H,3-7H2,1-2H3"	"LWFGICBJQBCSGK-UHFFFAOYSA-N"	"LWFGICBJQBCSGK"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4402957199442618"	"CC1(C2CCCC3(C2)C1C3)C"	"0.9251493236173604"	"4.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"133053479"	"InChI=1S/C11H18/c1-9(2)11-6-4-10(3,8-11)5-7-11/h4,6,9H,5,7-8H2,1-3H3/t10-,11-/m1/s1"	"AGVPYQITLXCKBQ-GHMZBOCLSA-N"	"AGVPYQITLXCKBQ"	"GHMZBOCLSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43977092239234805"	"CC(C)[C@]12CC[C@](C1)(C=C2)C"	"0.9240466190526861"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"22960282"	"InChI=1S/C11H18/c1-11(2)9-4-7-3-8(6-9)10(11)5-7/h7-10H,3-6H2,1-2H3"	"OLMVIEDFKFCCQJ-UHFFFAOYSA-N"	"OLMVIEDFKFCCQJ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43908197118444"	"CC1(C2CC3CC(C2)C1C3)C"	"0.9225989948421165"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"90968604"	"InChI=1S/C11H18/c1-3-5-10-9-6-4-7-11(10,2)8-9/h4,7,9-10H,3,5-6,8H2,1-2H3"	"LUCKXBXSIASXOK-UHFFFAOYSA-N"	"LUCKXBXSIASXOK"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43881358459049996"	"CCCC1C2CC=CC1(C2)C"	"0.9220350609572198"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123425"	"InChI=1S/C11H18/c1-8-7-9-5-6-11(8,4)10(9,2)3/h9H,1,5-7H2,2-4H3"	"ZASFWGOMAIPHLN-UHFFFAOYSA-N"	"ZASFWGOMAIPHLN"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43857854964003207"	"CC1(C2CCC1(C(=C)C2)C)C"	"0.9215412055423197"	"3.6"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"1403439"	"InChI=1S/C11H18/c1-8-7-9-5-6-11(8,4)10(9,2)3/h9H,1,5-7H2,2-4H3/t9-,11+/m1/s1"	"ZASFWGOMAIPHLN-KOLCDFICSA-N"	"ZASFWGOMAIPHLN"	"KOLCDFICSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43857854964003207"	"C[C@@]12CC[C@@H](C1(C)C)CC2=C"	"0.9215412055423197"	"3.6"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"1403440"	"InChI=1S/C11H18/c1-8-7-9-5-6-11(8,4)10(9,2)3/h9H,1,5-7H2,2-4H3/t9-,11+/m0/s1"	"ZASFWGOMAIPHLN-GXSJLCMTSA-N"	"ZASFWGOMAIPHLN"	"GXSJLCMTSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43857854964003207"	"C[C@]12CC[C@H](C1(C)C)CC2=C"	"0.9215412055423197"	"3.6"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"11435040"	"InChI=1S/C11H18/c1-8-10(2,3)9-5-6-11(8,4)7-9/h9H,1,5-7H2,2-4H3/t9-,11+/m0/s1"	"IWWRARFUNWPJJJ-GXSJLCMTSA-N"	"IWWRARFUNWPJJJ"	"GXSJLCMTSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43857854964003207"	"C[C@@]12CC[C@@H](C1)C(C2=C)(C)C"	"0.9215412055423197"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"12037804"	"InChI=1S/C11H18/c1-8-10(2,3)9-5-6-11(8,4)7-9/h9H,1,5-7H2,2-4H3/t9-,11+/m1/s1"	"IWWRARFUNWPJJJ-KOLCDFICSA-N"	"IWWRARFUNWPJJJ"	"KOLCDFICSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43857854964003207"	"C[C@]12CC[C@H](C1)C(C2=C)(C)C"	"0.9215412055423197"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"12589879"	"InChI=1S/C11H18/c1-8-7-9-5-6-11(8,4)10(9,2)3/h9H,1,5-7H2,2-4H3/t9-,11-/m1/s1"	"ZASFWGOMAIPHLN-MWLCHTKSSA-N"	"ZASFWGOMAIPHLN"	"MWLCHTKSSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43857854964003207"	"C[C@]12CC[C@@H](C1(C)C)CC2=C"	"0.9215412055423197"	"3.6"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"12589882"	"InChI=1S/C11H18/c1-8-7-9-5-6-11(8,4)10(9,2)3/h9H,1,5-7H2,2-4H3/t9-,11-/m0/s1"	"ZASFWGOMAIPHLN-ONGXEEELSA-N"	"ZASFWGOMAIPHLN"	"ONGXEEELSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43857854964003207"	"C[C@@]12CC[C@H](C1(C)C)CC2=C"	"0.9215412055423197"	"3.6"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"12829237"	"InChI=1S/C11H18/c1-8-10(2,3)9-5-6-11(8,4)7-9/h9H,1,5-7H2,2-4H3"	"IWWRARFUNWPJJJ-UHFFFAOYSA-N"	"IWWRARFUNWPJJJ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43857854964003207"	"CC1(C2CCC(C2)(C1=C)C)C"	"0.9215412055423197"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"18406420"	"InChI=1S/C11H18/c1-8-9-5-6-11(4,7-9)10(8,2)3/h9H,1,5-7H2,2-4H3"	"GZODJAMNDSPVTL-UHFFFAOYSA-N"	"GZODJAMNDSPVTL"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43857854964003207"	"CC1(C(=C)C2CCC1(C2)C)C"	"0.9215412055423197"	"3.7"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"20308133"	"InChI=1S/C11H18/c1-8-7-11(4)6-5-9(8)10(11,2)3/h9H,1,5-7H2,2-4H3"	"QOQQWLXXSDSXBT-UHFFFAOYSA-N"	"QOQQWLXXSDSXBT"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43857854964003207"	"CC1(C2CCC1(CC2=C)C)C"	"0.9215412055423197"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"71355853"	"InChI=1S/C11H18/c1-8-10(2,3)9-5-6-11(8,4)7-9/h9H,1,5-7H2,2-4H3/t9?,11-/m1/s1"	"IWWRARFUNWPJJJ-HCCKASOXSA-N"	"IWWRARFUNWPJJJ"	"HCCKASOXSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43857854964003207"	"C[C@@]12CCC(C1)C(C2=C)(C)C"	"0.9215412055423197"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"124577454"	"InChI=1S/C11H18/c1-8-10(2,3)9-5-6-11(8,4)7-9/h9H,1,5-7H2,2-4H3/t9-,11-/m0/s1"	"IWWRARFUNWPJJJ-ONGXEEELSA-N"	"IWWRARFUNWPJJJ"	"ONGXEEELSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43857854964003207"	"C[C@]12CC[C@@H](C1)C(C2=C)(C)C"	"0.9215412055423197"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"57289790"	"InChI=1S/C11H18/c1-9(2)7-11-5-3-10(8-11)4-6-11/h3,5,9-10H,4,6-8H2,1-2H3"	"OMOXBWBTSLOCDM-UHFFFAOYSA-N"	"OMOXBWBTSLOCDM"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4384480736063349"	"CC(C)CC12CCC(C1)C=C2"	"0.9212670493130961"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"155902"	"InChI=1S/C11H18/c1-8-7-9-5-6-11(8,4)10(9,2)3/h7,9H,5-6H2,1-4H3"	"ZLCRBFJQCPQSGZ-UHFFFAOYSA-N"	"ZLCRBFJQCPQSGZ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4379866988079989"	"CC1=CC2CCC1(C2(C)C)C"	"0.9202976086320267"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"71442839"	"InChI=1S/C11H18/c1-8-7-9-5-6-11(8,4)10(9,2)3/h7,9H,5-6H2,1-4H3/t9-,11+/m1/s1"	"ZLCRBFJQCPQSGZ-KOLCDFICSA-N"	"ZLCRBFJQCPQSGZ"	"KOLCDFICSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4379866988079989"	"CC1=C[C@H]2CC[C@@]1(C2(C)C)C"	"0.9202976086320267"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"13661808"	"InChI=1S/C11H18/c1-4-10-8-5-6-9(7-8)11(10,2)3/h4,8-9H,5-7H2,1-3H3/b10-4+"	"JZWOFBQYGICYBX-ONNFQVAWSA-N"	"JZWOFBQYGICYBX"	"ONNFQVAWSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4376409406245055"	"C/C=C/1\C2CCC(C2)C1(C)C"	"0.9195711015707394"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"97289314"	"InChI=1S/C11H18/c1-4-10-8-5-6-9(7-8)11(10,2)3/h4,8-9H,5-7H2,1-3H3/b10-4+/t8-,9+/m1/s1"	"JZWOFBQYGICYBX-CMQUBOLUSA-N"	"JZWOFBQYGICYBX"	"CMQUBOLUSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4376409406245055"	"C/C=C/1\[C@@H]2CC[C@@H](C2)C1(C)C"	"0.9195711015707394"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"97289315"	"InChI=1S/C11H18/c1-4-10-8-5-6-9(7-8)11(10,2)3/h4,8-9H,5-7H2,1-3H3/b10-4+/t8-,9+/m0/s1"	"JZWOFBQYGICYBX-FJWFXUPDSA-N"	"JZWOFBQYGICYBX"	"FJWFXUPDSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4376409406245055"	"C/C=C/1\[C@H]2CC[C@H](C2)C1(C)C"	"0.9195711015707394"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"98125512"	"InChI=1S/C11H18/c1-4-10-8-5-6-9(7-8)11(10,2)3/h4,8-9H,5-7H2,1-3H3/b10-4+/t8-,9-/m0/s1"	"JZWOFBQYGICYBX-HWGDKWFUSA-N"	"JZWOFBQYGICYBX"	"HWGDKWFUSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4376409406245055"	"C/C=C/1\[C@H]2CC[C@@H](C2)C1(C)C"	"0.9195711015707394"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"98125513"	"InChI=1S/C11H18/c1-4-10-8-5-6-9(7-8)11(10,2)3/h4,8-9H,5-7H2,1-3H3/b10-4+/t8-,9-/m1/s1"	"JZWOFBQYGICYBX-CICSDFTJSA-N"	"JZWOFBQYGICYBX"	"CICSDFTJSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4376409406245055"	"C/C=C/1\[C@@H]2CC[C@H](C2)C1(C)C"	"0.9195711015707394"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"130919043"	"InChI=1S/C11H18/c1-4-10-8-5-6-9(7-8)11(10,2)3/h4,8-9H,5-7H2,1-3H3/t8-,9+/m1/s1"	"JZWOFBQYGICYBX-BDAKNGLRSA-N"	"JZWOFBQYGICYBX"	"BDAKNGLRSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4376409406245055"	"CC=C1[C@@H]2CC[C@@H](C2)C1(C)C"	"0.9195711015707394"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"131862424"	"InChI=1S/C11H18/c1-4-11(3)8(2)9-5-6-10(11)7-9/h9-10H,2,4-7H2,1,3H3"	"VYSXWGYGWKHADY-UHFFFAOYSA-N"	"VYSXWGYGWKHADY"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4371857771968868"	"CCC1(C2CCC(C2)C1=C)C"	"0.9186147122212129"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123361006"	"InChI=1S/C11H18/c1-8-9(2)11(3)7-5-4-6-10(8)11/h10H,4-7H2,1-3H3"	"SWMGROSAUAWBQH-UHFFFAOYSA-N"	"SWMGROSAUAWBQH"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4371331448756897"	"CC1=C(C2(C1CCCC2)C)C"	"0.9185041211930692"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123732554"	"InChI=1S/C11H18/c1-8-9(2)11(3)6-4-5-10(8)7-11/h10H,4-7H2,1-3H3"	"QCEOLKHPOQPGRD-UHFFFAOYSA-N"	"QCEOLKHPOQPGRD"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43710076513047574"	"CC1=C(C2(CCCC1C2)C)C"	"0.9184360848755975"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123708798"	"InChI=1S/C11H18/c1-11(2)9-3-7-4-10(11)6-8(7)5-9/h7-10H,3-6H2,1-2H3"	"YWUNSJUFSKQXQA-UHFFFAOYSA-N"	"YWUNSJUFSKQXQA"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4370592524365973"	"CC1(C2CC3CC1CC3C2)C"	"0.9183488584072865"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"101365488"	"InChI=1S/C11H18/c1-9-5-8-10(2)6-4-7-11(9,10)3/h5H,4,6-8H2,1-3H3/t10-,11+/m1/s1"	"RHKBLFGQUFOWRR-MNOVXSKESA-N"	"RHKBLFGQUFOWRR"	"MNOVXSKESA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4370042647845659"	"CC1=CC[C@@]2([C@]1(CCC2)C)C"	"0.9182333183582244"	"3.7"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"101365489"	"InChI=1S/C11H18/c1-9-5-8-10(2)6-4-7-11(9,10)3/h5H,4,6-8H2,1-3H3/t10-,11+/m0/s1"	"RHKBLFGQUFOWRR-WDEREUQCSA-N"	"RHKBLFGQUFOWRR"	"WDEREUQCSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4370042647845659"	"CC1=CC[C@]2([C@@]1(CCC2)C)C"	"0.9182333183582244"	"3.7"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"90792073"	"InChI=1S/C11H18/c1-8-7-9(2)11-6-4-3-5-10(8)11/h9-11H,1,3-7H2,2H3"	"HKQFSCLQWUWWSE-UHFFFAOYSA-N"	"HKQFSCLQWUWWSE"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43695860326418096"	"CC1CC(=C)C2C1CCCC2"	"0.9181373743760645"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"91398932"	"InChI=1S/C11H18/c1-8-6-7-9(2)11-5-3-4-10(8)11/h9-11H,1,3-7H2,2H3"	"AUZJHJQFSFYCSI-UHFFFAOYSA-N"	"AUZJHJQFSFYCSI"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43695860326418096"	"CC1CCC(=C)C2C1CCC2"	"0.9181373743760645"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123521145"	"InChI=1S/C11H18/c1-8-3-4-10-6-9(2)7-11(10)5-8/h8,10-11H,2-7H2,1H3"	"CCHNHLUVPKKFCK-UHFFFAOYSA-N"	"CCHNHLUVPKKFCK"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43695860326418096"	"CC1CCC2CC(=C)CC2C1"	"0.9181373743760645"	"3.7"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123943483"	"InChI=1S/C11H18/c1-8-4-3-5-10-7-6-9(2)11(8)10/h8,10-11H,2-7H2,1H3"	"BEVGDJPWZXWCMW-UHFFFAOYSA-N"	"BEVGDJPWZXWCMW"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43695860326418096"	"CC1CCCC2C1C(=C)CC2"	"0.9181373743760645"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123961807"	"InChI=1S/C11H18/c1-8-4-3-5-10-9(2)6-7-11(8)10/h8,10-11H,2-7H2,1H3"	"FIQGSAIKVFMCPS-UHFFFAOYSA-N"	"FIQGSAIKVFMCPS"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43695860326418096"	"CC1CCCC2C1CCC2=C"	"0.9181373743760645"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"57224990"	"InChI=1S/C11H18/c1-4-8-5-6-9-7-10(8)11(9,2)3/h4,8-10H,1,5-7H2,2-3H3"	"TUJGXPVUKOXIDV-UHFFFAOYSA-N"	"TUJGXPVUKOXIDV"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43682738779047703"	"CC1(C2CCC(C1C2)C=C)C"	"0.917861664435571"	"4.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"54084264"	"InChI=1S/C11H18/c1-8(2)5-11-7-9-3-4-10(11)6-9/h7-10H,3-6H2,1-2H3"	"MPHKOHVUQVAECC-UHFFFAOYSA-N"	"MPHKOHVUQVAECC"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43682213023672584"	"CC(C)CC1=CC2CCC1C2"	"0.9178506172641441"	"3.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"124023766"	"InChI=1S/C11H18/c1-7-9-4-8-5-10(9,2)6-11(7,8)3/h7-9H,4-6H2,1-3H3"	"FSZVUAGWDNCUEX-UHFFFAOYSA-N"	"FSZVUAGWDNCUEX"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4365040170756606"	"CC1C2CC3C1(CC2(C3)C)C"	"0.9171821979212749"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"90908165"	"InChI=1S/C11H18/c1-11(2)5-8-3-7-4-9(6-11)10(7)8/h7-10H,3-6H2,1-2H3"	"GFGYVRSORRUKCL-UHFFFAOYSA-N"	"GFGYVRSORRUKCL"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43649739222574496"	"CC1(CC2CC3C2C(C3)C1)C"	"0.917168277787281"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"565422"	"InChI=1S/C11H18/c1-8(2)5-11-7-9-3-4-10(11)6-9/h5,9-11H,3-4,6-7H2,1-2H3"	"DTGWDBPLBYGFAN-UHFFFAOYSA-N"	"DTGWDBPLBYGFAN"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43642132886648394"	"CC(=CC1CC2CCC1C2)C"	"0.9170084534642526"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"10012084"	"InChI=1S/C11H18/c1-8(2)11-7-9-5-3-4-6-10(9)11/h9-10H,3-7H2,1-2H3/t9-,10-/m1/s1"	"NFIGFSNOJKLHEF-NXEZZACHSA-N"	"NFIGFSNOJKLHEF"	"NXEZZACHSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4362916943785816"	"CC(=C1C[C@@H]2[C@H]1CCCC2)C"	"0.9167360654909706"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"50936976"	"InChI=1S/C11H18/c1-8(2)11-7-9-5-3-4-6-10(9)11/h9-10H,3-7H2,1-2H3/t9-,10-/m0/s1"	"NFIGFSNOJKLHEF-UWVGGRQHSA-N"	"NFIGFSNOJKLHEF"	"UWVGGRQHSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4362916943785816"	"CC(=C1C[C@H]2[C@@H]1CCCC2)C"	"0.9167360654909706"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"45095794"	"InChI=1S/C11H18/c1-7(2)11-6-9-4-5-10(11)8(9)3/h7,9-11H,3-6H2,1-2H3"	"CJFMFKLLXSBSJG-UHFFFAOYSA-N"	"CJFMFKLLXSBSJG"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4362657805949792"	"CC(C)C1CC2CCC1C2=C"	"0.9166816154514037"	"3.6"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123447247"	"InChI=1S/C11H18/c1-6-4-5-7-9-8(6)10(7)11(9,2)3/h6-10H,4-5H2,1-3H3"	"LXPPDJMHXOJCRF-UHFFFAOYSA-N"	"LXPPDJMHXOJCRF"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4352480205518507"	"CC1CCC2C3C1C2C3(C)C"	"0.9145430981484776"	"3.6"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"14176551"	"InChI=1S/C11H18/c1-9-6-7-10-4-2-3-5-11(10)8-9/h6-7,9-11H,2-5,8H2,1H3"	"ILRPQCHQWVUAPS-UHFFFAOYSA-N"	"ILRPQCHQWVUAPS"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4348844328233121"	"CC1CC2CCCCC2C=C1"	"0.9137791276488878"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"18461935"	"InChI=1S/C11H18/c1-8(2)5-11-7-9-3-4-10(11)6-9/h3,8,10-11H,4-7H2,1-2H3"	"HTMUIKHHQGLHSZ-UHFFFAOYSA-N"	"HTMUIKHHQGLHSZ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4347969753560974"	"CC(C)CC1CC2=CCC1C2"	"0.9135953620273433"	"3.4"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"21677235"	"InChI=1S/C11H18/c1-9(2)10(3)5-7-8(6-10)11(7,9)4/h7-8H,5-6H2,1-4H3"	"AYCKRLFTNRNUOR-UHFFFAOYSA-N"	"AYCKRLFTNRNUOR"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4347121533142022"	"CC1(C2(CC3C1(C3C2)C)C)C"	"0.9134171339612219"	"3.6"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"15252084"	"InChI=1S/C11H18/c1-10-5-4-8-11(9-10)6-2-3-7-11/h9H,2-8H2,1H3"	"IXJXMFZNZVHWIE-UHFFFAOYSA-N"	"IXJXMFZNZVHWIE"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4345613063550073"	"CC1=CC2(CCCC2)CCC1"	"0.9131001743453379"	"4.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"59047318"	"InChI=1S/C11H18/c1-10-5-8-11(9-10)6-3-2-4-7-11/h5H,2-4,6-9H2,1H3"	"IWMMQBRZNKMMHD-UHFFFAOYSA-N"	"IWMMQBRZNKMMHD"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4345613063550073"	"CC1=CCC2(C1)CCCCC2"	"0.9131001743453379"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"21255493"	"InChI=1S/C11H18/c1-9-5-4-7-10-6-2-3-8-11(9)10/h4-5,9-11H,2-3,6-8H2,1H3"	"PYADZADJZZHWHG-UHFFFAOYSA-N"	"PYADZADJZZHWHG"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4343306347653048"	"CC1C=CCC2C1CCCC2"	"0.9126154872236506"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"5370995"	"InChI=1S/C11H18/c1-2-9-7-8-10-5-3-4-6-11(9)10/h2,10-11H,3-8H2,1H3/b9-2+"	"QZBVQKKDXGGRFX-XNWCZRBMSA-N"	"QZBVQKKDXGGRFX"	"XNWCZRBMSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43426249150391744"	"C/C=C/1\CCC2C1CCCC2"	"0.9124723046094985"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"6434522"	"InChI=1S/C11H18/c1-2-9-7-8-10-5-3-4-6-11(9)10/h2,10-11H,3-8H2,1H3/b9-2-/t10-,11-/m0/s1"	"QZBVQKKDXGGRFX-NBHJFIGHSA-N"	"QZBVQKKDXGGRFX"	"NBHJFIGHSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43426249150391744"	"C/C=C\1/CC[C@H]2[C@H]1CCCC2"	"0.9124723046094985"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"21160458"	"InChI=1S/C11H18/c1-2-9-7-8-10-5-3-4-6-11(9)10/h2,10-11H,3-8H2,1H3/b9-2+/t10-,11-/m0/s1"	"QZBVQKKDXGGRFX-JZCKEKTNSA-N"	"QZBVQKKDXGGRFX"	"JZCKEKTNSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43426249150391744"	"C/C=C/1\CC[C@H]2[C@H]1CCCC2"	"0.9124723046094985"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"101637860"	"InChI=1S/C11H18/c1-2-9-7-8-10-5-3-4-6-11(9)10/h2,10-11H,3-8H2,1H3/b9-2+/t10-,11-/m1/s1"	"QZBVQKKDXGGRFX-DZNGSNMXSA-N"	"QZBVQKKDXGGRFX"	"DZNGSNMXSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43426249150391744"	"C/C=C/1\CC[C@@H]2[C@@H]1CCCC2"	"0.9124723046094985"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"21707905"	"InChI=1S/C11H18/c1-8(2)11-7-9-3-5-10(11)6-4-9/h9-11H,1,3-7H2,2H3"	"BTHXUMZAGPOLRF-UHFFFAOYSA-N"	"BTHXUMZAGPOLRF"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43423320216003874"	"CC(=C)C1CC2CCC1CC2"	"0.9124107618430096"	"4.5"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"23572816"	"InChI=1S/C11H18/c1-8-7-9(2)11-6-4-3-5-10(8)11/h3-4,8-11H,5-7H2,1-2H3"	"OJFPGRFNBYZGMT-UHFFFAOYSA-N"	"OJFPGRFNBYZGMT"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4342260694751294"	"CC1CC(C2C1CC=CC2)C"	"0.9123957746461768"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"101941248"	"InChI=1S/C11H18/c1-8-6-10-4-3-5-11(10)7-9(8)2/h3-4,8-11H,5-7H2,1-2H3/t8-,9?,10-,11+/m1/s1"	"PGAVSEQUFJXJMH-UBJLHIIHSA-N"	"PGAVSEQUFJXJMH"	"UBJLHIIHSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4342260694751294"	"C[C@@H]1C[C@H]2C=CC[C@H]2CC1C"	"0.9123957746461768"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123608899"	"InChI=1S/C11H18/c1-8-5-10-3-4-11(6-8)9(2)7-10/h7-8,10-11H,3-6H2,1-2H3"	"DWAAZIAGTBPEBH-UHFFFAOYSA-N"	"DWAAZIAGTBPEBH"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43419690055665255"	"CC1CC2CCC(C1)C(=C2)C"	"0.9123344849175306"	"3.6"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"19960733"	"InChI=1S/C11H18/c1-3-10-8-5-6-9(7-8)11(10)4-2/h8,10H,3-7H2,1-2H3"	"OWSFAONPQIMRHF-UHFFFAOYSA-N"	"OWSFAONPQIMRHF"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4338104465451676"	"CCC1C2CCC(=C1CC)C2"	"0.9115224677864537"	"3.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"121217372"	"InChI=1S/C11H18/c1-9(2)10(3)5-7-11(9,4)8-6-10/h5,7H,6,8H2,1-4H3"	"WBZSPQKUENRRBM-UHFFFAOYSA-N"	"WBZSPQKUENRRBM"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43375808170226743"	"CC1(C2(CCC1(C=C2)C)C)C"	"0.9114124387836814"	"4.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"134881267"	"InChI=1S/C11H18/c1-9(2)10(3)5-7-11(9,4)8-6-10/h5,7H,6,8H2,1-4H3/t10-,11+"	"WBZSPQKUENRRBM-PHIMTYICSA-N"	"WBZSPQKUENRRBM"	"PHIMTYICSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43375808170226743"	"C[C@]12CC[C@](C1(C)C)(C=C2)C"	"0.9114124387836814"	"4.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123308757"	"InChI=1S/C11H18/c1-10(2)4-8-3-9-6-11(9,5-8)7-10/h8-9H,3-7H2,1-2H3"	"AXZGWJTXFZJVSO-UHFFFAOYSA-N"	"AXZGWJTXFZJVSO"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.433495793910921"	"CC1(CC2CC3CC3(C2)C1)C"	"0.910861319702197"	"4.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"22670047"	"InChI=1S/C11H18/c1-10(2,3)11-6-4-9(8-11)5-7-11/h4,6,9H,5,7-8H2,1-3H3"	"HLWRYLIHOIJMSF-UHFFFAOYSA-N"	"HLWRYLIHOIJMSF"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4334026712193074"	"CC(C)(C)C12CCC(C1)C=C2"	"0.9106656503117003"	"4.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"57599482"	"InChI=1S/C11H18/c1-4-8-7-9-5-6-10(8)11(9,2)3/h7,9-10H,4-6H2,1-3H3"	"WHGLELFIXXDRTA-UHFFFAOYSA-N"	"WHGLELFIXXDRTA"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43339693383549877"	"CCC1=CC2CCC1C2(C)C"	"0.9106535949214036"	"3.4"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"12712158"	"InChI=1S/C11H18/c1-10(2)8-3-4-11(5-6-11)9(10)7-8/h8-9H,3-7H2,1-2H3"	"VZNJQQBCMQRIIO-UHFFFAOYSA-N"	"VZNJQQBCMQRIIO"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4333334331389812"	"CC1(C2CCC3(C1C2)CC3)C"	"0.9105201672641011"	"4.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"12712159"	"InChI=1S/C11H18/c1-10(2)8-3-4-11(5-6-11)9(10)7-8/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1"	"VZNJQQBCMQRIIO-IUCAKERBSA-N"	"VZNJQQBCMQRIIO"	"IUCAKERBSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4333334331389812"	"CC1([C@H]2CCC3([C@H]1C2)CC3)C"	"0.9105201672641011"	"4.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"100966048"	"InChI=1S/C11H18/c1-10(2)8-3-4-11(5-6-11)9(10)7-8/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1"	"VZNJQQBCMQRIIO-BDAKNGLRSA-N"	"VZNJQQBCMQRIIO"	"BDAKNGLRSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4333334331389812"	"CC1([C@@H]2CCC3([C@H]1C2)CC3)C"	"0.9105201672641011"	"4.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"129647220"	"InChI=1S/C11H18/c1-4-11(3)9-5-7-10(11,2)8-6-9/h5,7,9H,4,6,8H2,1-3H3"	"RFDMHKAKQOSRHD-UHFFFAOYSA-N"	"RFDMHKAKQOSRHD"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4330141053973339"	"CCC1(C2CCC1(C=C2)C)C"	"0.9098491958446319"	"4.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"10511014"	"InChI=1S/C11H18/c1-3-4-8-11-9-6-5-7-10(11)2/h3-4,8,10H,5-7,9H2,1-2H3/b4-3+,11-8+"	"PPLHSALLFYWIGU-GJIPYRLRSA-N"	"PPLHSALLFYWIGU"	"GJIPYRLRSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4329889943377801"	"C/C=C/C=C/1\CCCCC1C"	"0.9097964324887572"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"101069780"	"InChI=1S/C11H18/c1-3-4-7-11-8-5-6-10(2)9-11/h3-4,7,10H,5-6,8-9H2,1-2H3/b4-3+,11-7+"	"GEBLNNAELORMGR-KDYKCUIDSA-N"	"GEBLNNAELORMGR"	"KDYKCUIDSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4329889943377801"	"C/C=C/C=C/1\CCCC(C1)C"	"0.9097964324887572"	"3.7"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"21305157"	"InChI=1S/C11H18/c1-2-11-9-5-3-6-10(11)8-4-7-9/h2,9-10H,3-8H2,1H3"	"IYJSUDZFROPSDU-UHFFFAOYSA-N"	"IYJSUDZFROPSDU"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43288075402986326"	"CC=C1C2CCCC1CCC2"	"0.9095689979643651"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123675956"	"InChI=1S/C11H18/c1-2-9-6-10-4-3-5-11(7-9)8-10/h2,10-11H,3-8H2,1H3"	"VRSPKBDAYQOSEZ-UHFFFAOYSA-N"	"VRSPKBDAYQOSEZ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4327501060647929"	"CC=C1CC2CCCC(C2)C1"	"0.909294480472957"	"3.7"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"22717674"	"InChI=1S/C11H18/c1-8-5-6-9-7-11(8,4)10(9,2)3/h5,9H,6-7H2,1-4H3"	"GGLUQQXZJFTPNK-UHFFFAOYSA-N"	"GGLUQQXZJFTPNK"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4327306393717858"	"CC1=CCC2CC1(C2(C)C)C"	"0.9092535770595174"	"3.4"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"59574159"	"InChI=1S/C11H18/c1-7-5-9-6-10(8(7)2)11(9,3)4/h9-10H,5-6H2,1-4H3"	"XTWQWXADGVBZDQ-UHFFFAOYSA-N"	"XTWQWXADGVBZDQ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4327306393717858"	"CC1=C(C2CC(C1)C2(C)C)C"	"0.9092535770595174"	"2.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"135009382"	"InChI=1S/C11H18/c1-7-5-9-6-10(8(7)2)11(9,3)4/h9-10H,5-6H2,1-4H3/t9-,10-/m1/s1"	"XTWQWXADGVBZDQ-NXEZZACHSA-N"	"XTWQWXADGVBZDQ"	"NXEZZACHSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4327306393717858"	"CC1=C([C@H]2C[C@@H](C1)C2(C)C)C"	"0.9092535770595174"	"2.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"53842904"	"InChI=1S/C11H18/c1-11-6-8-2-3-10(11)5-9(4-8)7-11/h8-10H,2-7H2,1H3"	"GKJOUKRCKRKTKQ-UHFFFAOYSA-N"	"GKJOUKRCKRKTKQ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43237844144133813"	"CC12CC3CCC1CC(C3)C2"	"0.9085135388025605"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"85830762"	"InChI=1S/C11H18/c1-11-3-2-9-4-8(6-11)5-10(9)7-11/h8-10H,2-7H2,1H3"	"WXFKOYDAUPCKQG-UHFFFAOYSA-N"	"WXFKOYDAUPCKQG"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43237844144133813"	"CC12CCC3CC(C1)CC3C2"	"0.9085135388025605"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123366803"	"InChI=1S/C11H18/c1-7-4-8-2-3-9-5-10(8)6-11(7)9/h7-11H,2-6H2,1H3"	"LBAJXLFIBPBBRB-UHFFFAOYSA-N"	"LBAJXLFIBPBBRB"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43237844144133813"	"CC1CC2CCC3C1CC2C3"	"0.9085135388025605"	"4.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123203840"	"InChI=1S/C11H18/c1-7(2)6-11-8(3)9-4-5-10(9)11/h7,9-10H,4-6H2,1-3H3"	"MEVDPNNBFUENKI-UHFFFAOYSA-N"	"MEVDPNNBFUENKI"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43222974799075176"	"CC1=C(C2C1CC2)CC(C)C"	"0.9082011041387538"	"2.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"129660029"	"InChI=1S/C11H18/c1-9(2)8-11-6-4-10(3)5-7-11/h6,8,10H,4-5,7H2,1-3H3"	"KGWBRMDWOQJVGX-UHFFFAOYSA-N"	"KGWBRMDWOQJVGX"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4320456468438076"	"CC1CCC(=CC1)C=C(C)C"	"0.9078142708268285"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"572691"	"InChI=1S/C11H18/c1-4-10-8-5-6-9(7-8)11(10,2)3/h4,8-10H,1,5-7H2,2-3H3"	"DTEBVEANSBDEJR-UHFFFAOYSA-N"	"DTEBVEANSBDEJR"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43198439307488656"	"CC1(C2CCC(C2)C1C=C)C"	"0.9076855644135718"	"4.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"45098282"	"InChI=1S/C11H18/c1-4-8-7-9-5-6-10(8)11(9,2)3/h4,8-10H,1,5-7H2,2-3H3"	"UYTWZEIWFZCHFD-UHFFFAOYSA-N"	"UYTWZEIWFZCHFD"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43198439307488656"	"CC1(C2CCC1C(C2)C=C)C"	"0.9076855644135718"	"4.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123871147"	"InChI=1S/C11H18/c1-8(2)11-6-9-4-3-5-10(9)7-11/h8,11H,3-7H2,1-2H3"	"OTLPRBJRSZWPGR-UHFFFAOYSA-N"	"OTLPRBJRSZWPGR"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4319229996239876"	"CC(C)C1CC2=C(C1)CCC2"	"0.9075565645005568"	"2.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"21581750"	"InChI=1S/C11H18/c1-8-4-5-9-6-7-10(8)11(9,2)3/h4,9-10H,5-7H2,1-3H3"	"MXXWZRRXIDXSJD-UHFFFAOYSA-N"	"MXXWZRRXIDXSJD"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4318997865648451"	"CC1=CCC2CCC1C2(C)C"	"0.9075077892229604"	"3.4"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"124033661"	"InChI=1S/C11H18/c1-8-4-5-9-6-7-10(8)11(9,2)3/h4,9-10H,5-7H2,1-3H3/t9-,10-/m1/s1"	"MXXWZRRXIDXSJD-NXEZZACHSA-N"	"MXXWZRRXIDXSJD"	"NXEZZACHSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4318997865648451"	"CC1=CC[C@@H]2CC[C@H]1C2(C)C"	"0.9075077892229604"	"3.4"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"121216239"	"InChI=1S/C11H18/c1-11(2,3)10-7-8-4-5-9(10)6-8/h7-9H,4-6H2,1-3H3"	"MJINADKCFZQRFU-UHFFFAOYSA-N"	"MJINADKCFZQRFU"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43187353883665225"	"CC(C)(C)C1=CC2CCC1C2"	"0.9074526374990527"	"3.6"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"85920017"	"InChI=1S/C11H18/c1-11-5-8-3-2-4-9(6-11)10(8)7-11/h8-10H,2-7H2,1H3"	"NTYJGWNWWAPZKK-UHFFFAOYSA-N"	"NTYJGWNWWAPZKK"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4317781645697979"	"CC12CC3CCCC(C1)C3C2"	"0.9072522370988808"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123710495"	"InChI=1S/C11H18/c1-6-4-7-8-5-11(2,3)10(8)9(6)7/h6-10H,4-5H2,1-3H3"	"VTYUDXCECQQDNY-UHFFFAOYSA-N"	"VTYUDXCECQQDNY"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43157858399201"	"CC1CC2C1C3C2CC3(C)C"	"0.9068328784083829"	"3.6"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"13779964"	"InChI=1S/C11H18/c1-11-5-4-8-6-10(11)3-2-9(8)7-11/h8-10H,2-7H2,1H3"	"XKDSLSZMLGILEP-UHFFFAOYSA-N"	"XKDSLSZMLGILEP"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4315719647597606"	"CC12CCC3CC1CCC3C2"	"0.9068189700782289"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"59448611"	"InChI=1S/C11H18/c1-9-6-7-10-4-2-3-5-11(10)8-9/h1,9-11H,2-8H2"	"NDRSASXXJAUUHC-UHFFFAOYSA-N"	"NDRSASXXJAUUHC"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4315719647597606"	"[CH]C1CCC2CCCCC2C1"	"0.9068189700782289"	"4.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"129715721"	"InChI=1S/C11H18/c1-10(2)5-6-11(3,4)9-7-8(9)10/h5-7H2,1-4H3"	"XJQCLTCNJOCARF-UHFFFAOYSA-N"	"XJQCLTCNJOCARF"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.431382531971022"	"CC1(CCC(C2=C1C2)(C)C)C"	"0.9064209339210874"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"91433313"	"InChI=1S/C11H18/c1-10(2)8-9-11-6-4-3-5-7-11/h4,6-7,10H,3,5,8-9H2,1-2H3"	"GQQRKKIJRAYPDN-UHFFFAOYSA-N"	"GQQRKKIJRAYPDN"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43129976992794455"	"CC(C)CCC1=CCCC=C1"	"0.9062470343242801"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123356494"	"InChI=1S/C11H18/c1-7(2)11-5-8-4-10(3,6-11)9(8)11/h7-9H,4-6H2,1-3H3"	"PSEGLZAJBFCIPQ-UHFFFAOYSA-N"	"PSEGLZAJBFCIPQ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4312779378012237"	"CC(C)C12CC3C1C(C3)(C2)C"	"0.9062011606617528"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"21352048"	"InChI=1S/C11H18/c1-11(2,3)10-6-4-7-8(5-6)9(7)10/h6-10H,4-5H2,1-3H3"	"CWBQOWDOHVOHJR-UHFFFAOYSA-N"	"CWBQOWDOHVOHJR"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.431166920081965"	"CC(C)(C)C1C2CC3C1C3C2"	"0.9059678902409213"	"3.6"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123642272"	"InChI=1S/C11H18/c1-4-7-11(3)8(2)9-5-6-10(9)11/h10H,4-7H2,1-3H3"	"QYLHJDZJRZMHCP-UHFFFAOYSA-N"	"QYLHJDZJRZMHCP"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4311517981676758"	"CCCC1(C2CCC2=C1C)C"	"0.905936116076098"	"3.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123993820"	"InChI=1S/C11H18/c1-7-5-6-9-8(2)10(7)11(9,3)4/h8-10H,1,5-6H2,2-4H3"	"MTNCBGHEDOSDPC-UHFFFAOYSA-N"	"MTNCBGHEDOSDPC"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4310623800596034"	"CC1C2CCC(=C)C1C2(C)C"	"0.9057482307561754"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123407134"	"InChI=1S/C11H18/c1-3-4-7-9-5-8-6(2)10(8)11(7)9/h6-11H,3-5H2,1-2H3"	"VTXCLKFXMXFCTF-UHFFFAOYSA-N"	"VTXCLKFXMXFCTF"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43098292182920955"	"CCCC1C2C1C3C(C3C2)C"	"0.9055812731302552"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"101408852"	"InChI=1S/C11H18/c1-9-6-4-5-7-11(9)8-10(11,2)3/h1,4-8H2,2-3H3/t11-/m0/s1"	"CFTDZEKAKZQHRS-NSHDSACASA-N"	"CFTDZEKAKZQHRS"	"NSHDSACASA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4309329341649931"	"CC1(C[C@]12CCCCC2=C)C"	"0.9054762390551002"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123293638"	"InChI=1S/C11H18/c1-9-4-6-11(7-5-9)8-10(11,2)3/h1,4-8H2,2-3H3"	"JYLQIDCCPRDPNE-UHFFFAOYSA-N"	"JYLQIDCCPRDPNE"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4309329341649931"	"CC1(CC12CCC(=C)CC2)C"	"0.9054762390551002"	"3.7"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"134935166"	"InChI=1S/C11H18/c1-9-6-4-5-7-11(9)8-10(11,2)3/h1,4-8H2,2-3H3"	"CFTDZEKAKZQHRS-UHFFFAOYSA-N"	"CFTDZEKAKZQHRS"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4309329341649931"	"CC1(CC12CCCCC2=C)C"	"0.9054762390551002"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"59977682"	"InChI=1S/C11H18/c1-3-7-6(2)10-8-4-5-9(8)11(7)10/h6-11H,3-5H2,1-2H3"	"GHNXNPHGZQVKND-UHFFFAOYSA-N"	"GHNXNPHGZQVKND"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4309260282433546"	"CCC1C(C2C1C3C2CC3)C"	"0.9054617283332298"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"14191815"	"InChI=1S/C11H18/c1-7-5-9-6-10(8(7)2)11(9,3)4/h7,9-10H,2,5-6H2,1,3-4H3/t7?,9-,10-/m0/s1"	"DHOPOWMHAWJFCC-IVNRZZHDSA-N"	"DHOPOWMHAWJFCC"	"IVNRZZHDSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4309180998839822"	"CC1C[C@H]2C[C@@H](C1=C)C2(C)C"	"0.9054450692652932"	"3.4"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"58892120"	"InChI=1S/C11H18/c1-7-5-9-6-10(8(7)2)11(9,3)4/h7,9-10H,2,5-6H2,1,3-4H3/t7-,9+,10+/m1/s1"	"DHOPOWMHAWJFCC-JEZHCXPESA-N"	"DHOPOWMHAWJFCC"	"JEZHCXPESA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4309180998839822"	"C[C@@H]1C[C@H]2C[C@@H](C1=C)C2(C)C"	"0.9054450692652932"	"3.4"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"90692804"	"InChI=1S/C11H18/c1-7-5-9-6-10(8(7)2)11(9,3)4/h7,9-10H,2,5-6H2,1,3-4H3/t7?,9-,10-/m1/s1"	"DHOPOWMHAWJFCC-RWBYNWAKSA-N"	"DHOPOWMHAWJFCC"	"RWBYNWAKSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4309180998839822"	"CC1C[C@@H]2C[C@H](C1=C)C2(C)C"	"0.9054450692652932"	"3.4"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"91575711"	"InChI=1S/C11H18/c1-7-5-9-6-10(8(7)2)11(9,3)4/h7,9-10H,2,5-6H2,1,3-4H3/t7-,9-,10-/m1/s1"	"DHOPOWMHAWJFCC-SZEHBUNVSA-N"	"DHOPOWMHAWJFCC"	"SZEHBUNVSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4309180998839822"	"C[C@@H]1C[C@@H]2C[C@H](C1=C)C2(C)C"	"0.9054450692652932"	"3.4"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"101072623"	"InChI=1S/C11H18/c1-7-5-9-6-10(8(7)2)11(9,3)4/h7,9-10H,2,5-6H2,1,3-4H3/t7-,9-,10-/m0/s1"	"DHOPOWMHAWJFCC-HGNGGELXSA-N"	"DHOPOWMHAWJFCC"	"HGNGGELXSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4309180998839822"	"C[C@H]1C[C@H]2C[C@@H](C1=C)C2(C)C"	"0.9054450692652932"	"3.4"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"550088"	"InChI=1S/C11H18/c1-5-10-9(2)7-6-8-11(10,3)4/h5,10H,1-2,6-8H2,3-4H3"	"YRBXRKRLOGXJAN-UHFFFAOYSA-N"	"YRBXRKRLOGXJAN"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4307405585015915"	"CC1(CCCC(=C)C1C=C)C"	"0.905072019330005"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123378491"	"InChI=1S/C11H18/c1-8-4-5-9-6-7-10(8)11(9,2)3/h9-10H,1,4-7H2,2-3H3"	"IZMLWSUALMBADQ-UHFFFAOYSA-N"	"IZMLWSUALMBADQ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43059095699791866"	"CC1(C2CCC1C(=C)CC2)C"	"0.9047576766651421"	"3.6"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123808569"	"InChI=1S/C11H18/c1-8-9-5-4-6-10(7-9)11(8,2)3/h9-10H,1,4-7H2,2-3H3"	"SMQNACHUZWRGIX-UHFFFAOYSA-N"	"SMQNACHUZWRGIX"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43059095699791866"	"CC1(C2CCCC(C2)C1=C)C"	"0.9047576766651421"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"135046245"	"InChI=1S/C11H18/c1-8-4-5-9-6-7-10(8)11(9,2)3/h9-10H,1,4-7H2,2-3H3/t9-,10-/m1/s1"	"IZMLWSUALMBADQ-NXEZZACHSA-N"	"IZMLWSUALMBADQ"	"NXEZZACHSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43059095699791866"	"CC1([C@H]2CC[C@@H]1C(=C)CC2)C"	"0.9047576766651421"	"3.6"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"57564923"	"InChI=1S/C11H18/c1-11(2)6-7-5-10(11)9-4-3-8(7)9/h7-10H,3-6H2,1-2H3"	"FTZTUVXMIBZSNK-UHFFFAOYSA-N"	"FTZTUVXMIBZSNK"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4304733373833127"	"CC1(CC2CC1C3C2CC3)C"	"0.9045105343424535"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123226300"	"InChI=1S/C11H18/c1-6-8-4-3-5-9-7(2)10(6)11(8)9/h6-11H,3-5H2,1-2H3"	"NWKJATZRYMAKCH-UHFFFAOYSA-N"	"NWKJATZRYMAKCH"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4304674361149101"	"CC1C2CCCC3C2C1C3C"	"0.9044981345978641"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123509812"	"InChI=1S/C11H18/c1-9(2)10-3-5-11(6-4-10)7-8-11/h3,9H,4-8H2,1-2H3"	"DMMXCAQTGXULNI-UHFFFAOYSA-N"	"DMMXCAQTGXULNI"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.430403035336706"	"CC(C)C1=CCC2(CC1)CC2"	"0.90436281568901"	"3.6"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123696233"	"InChI=1S/C11H18/c1-9(2)10-3-5-11(6-4-10)7-8-11/h3-8H2,1-2H3"	"HWLLKRRBLKDJHA-UHFFFAOYSA-N"	"HWLLKRRBLKDJHA"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.430403035336706"	"CC(=C1CCC2(CC1)CC2)C"	"0.90436281568901"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123875202"	"InChI=1S/C11H18/c1-9(2)10-4-3-5-11(8-10)6-7-11/h8-9H,3-7H2,1-2H3"	"FVDYJGBLJUWPOB-UHFFFAOYSA-N"	"FVDYJGBLJUWPOB"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.430403035336706"	"CC(C)C1=CC2(CCC1)CC2"	"0.90436281568901"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"91009475"	"InChI=1S/C11H18/c1-7-3-9-6-11(5-7)8(2)4-10(9)11/h7-10H,3-6H2,1-2H3"	"HEZWWNWRCKEZDO-UHFFFAOYSA-N"	"HEZWWNWRCKEZDO"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43039355032147064"	"CC1CC2CC3(C1)C2CC3C"	"0.9043428857759266"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123781808"	"InChI=1S/C11H18/c1-7-3-10-9-4-8(5-9)6-11(7,10)2/h7-10H,3-6H2,1-2H3"	"WZGNCBVQYFLGLO-UHFFFAOYSA-N"	"WZGNCBVQYFLGLO"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.43039355032147064"	"CC1CC2C1(CC3CC2C3)C"	"0.9043428857759266"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"56990468"	"InChI=1S/C11H18/c1-7-5-9-6-10(7)11(3,4)8(9)2/h7,10H,5-6H2,1-4H3"	"HZHQTVXZOWKLQU-UHFFFAOYSA-N"	"HZHQTVXZOWKLQU"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4301280057120618"	"CC1CC2=C(C(C1C2)(C)C)C"	"0.9037849234686482"	"2.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"22495031"	"InChI=1S/C11H18/c1-3-11(4-2)9-5-6-10(11)8-7-9/h5-6,9-10H,3-4,7-8H2,1-2H3"	"LKKBIMGGAFUJOM-UHFFFAOYSA-N"	"LKKBIMGGAFUJOM"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.429874465504166"	"CCC1(C2CCC1C=C2)CC"	"0.9032521848086534"	"4.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"60070330"	"InChI=1S/C11H18/c1-3-10-6-9-4-5-11(7-9)8(10)2/h9,11H,3-7H2,1-2H3"	"HNEZTSFDMWDQBU-UHFFFAOYSA-N"	"HNEZTSFDMWDQBU"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42946080914244555"	"CCC1=C(C2CCC(C2)C1)C"	"0.9023830101019265"	"3.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"91601295"	"InChI=1S/C11H18/c1-7-8(2)11-5-3-4-9(7)10(11)6-11/h7-10H,3-6H2,1-2H3"	"GKAHLSWRTLZLHZ-UHFFFAOYSA-N"	"GKAHLSWRTLZLHZ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42932999798016186"	"CC1C(C23CCCC1C2C3)C"	"0.9021081497005496"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123990590"	"InChI=1S/C11H18/c1-7-3-9-4-10-6-11(10,5-9)8(7)2/h7-10H,3-6H2,1-2H3"	"GUEIUOBDOAJTDM-UHFFFAOYSA-N"	"GUEIUOBDOAJTDM"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42930749573186405"	"CC1CC2CC3CC3(C2)C1C"	"0.9020608679786305"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"124020357"	"InChI=1S/C11H18/c1-8-3-5-10-6-4-9(2)11(10)7-8/h8,10-11H,2-7H2,1H3"	"BSFNOPYZQBZJAQ-UHFFFAOYSA-N"	"BSFNOPYZQBZJAQ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4286361622717222"	"CC1CCC2CCC(=C)C2C1"	"0.9006502621779415"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"12599191"	"InChI=1S/C11H18/c1-3-4-8-11-9-6-5-7-10(11)2/h5-7,11H,3-4,8-9H2,1-2H3"	"KHHHBPCDUARBIT-UHFFFAOYSA-N"	"KHHHBPCDUARBIT"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4286106898846887"	"CCCCC1CC=CC=C1C"	"0.9005967396008019"	"4.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"14789700"	"InChI=1S/C11H18/c1-3-4-8-11-9-6-5-7-10(11)2/h5-6,9-10H,3-4,7-8H2,1-2H3"	"OIOQFPAPSFGVQY-UHFFFAOYSA-N"	"OIOQFPAPSFGVQY"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4286106898846887"	"CCCCC1=CC=CCC1C"	"0.9005967396008019"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"23207498"	"InChI=1S/C11H18/c1-3-10(2)9-11-7-5-4-6-8-11/h4-5,7,10H,3,6,8-9H2,1-2H3"	"GHDSIUZAPGRCBR-UHFFFAOYSA-N"	"GHDSIUZAPGRCBR"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4286106898846887"	"CCC(C)CC1=CC=CCC1"	"0.9005967396008019"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"123765479"	"InChI=1S/C11H18/c1-3-6-11-8-5-7-10(4-2)9-11/h5,7-8,11H,3-4,6,9H2,1-2H3"	"RSEKBOMJFUQZCI-UHFFFAOYSA-N"	"RSEKBOMJFUQZCI"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4286106898846887"	"CCCC1CC(=CC=C1)CC"	"0.9005967396008019"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"125507495"	"InChI=1S/C11H18/c1-3-4-8-11-9-6-5-7-10(11)2/h5-6,9-10H,3-4,7-8H2,1-2H3/t10-/m0/s1"	"OIOQFPAPSFGVQY-JTQLQIEISA-N"	"OIOQFPAPSFGVQY"	"JTQLQIEISA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4286106898846887"	"CCCCC1=CC=CC[C@@H]1C"	"0.9005967396008019"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"125507496"	"InChI=1S/C11H18/c1-3-4-8-11-9-6-5-7-10(11)2/h5-6,9-10H,3-4,7-8H2,1-2H3/t10-/m1/s1"	"OIOQFPAPSFGVQY-SNVBAGLBSA-N"	"OIOQFPAPSFGVQY"	"SNVBAGLBSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4286106898846887"	"CCCCC1=CC=CC[C@H]1C"	"0.9005967396008019"	"3.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"23532644"	"InChI=1S/C11H18/c1-9-5-6-10-3-2-4-11(7-9)8-10/h5,10-11H,2-4,6-8H2,1H3"	"GUKDLNHDNXYLFX-UHFFFAOYSA-N"	"GUKDLNHDNXYLFX"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4285640175287663"	"CC1=CCC2CCCC(C2)C1"	"0.9004986716511095"	"3.7"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"59718050"	"InChI=1S/C11H18/c1-9-5-6-10-3-2-4-11(7-9)8-10/h7,10-11H,2-6,8H2,1H3"	"XVOOEXAUFUHHAI-UHFFFAOYSA-N"	"XVOOEXAUFUHHAI"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4285640175287663"	"CC1=CC2CCCC(C2)CC1"	"0.9004986716511095"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"57465957"	"InChI=1S/C11H18/c1-3-10-7-9-4-5-11(10)8(2)6-9/h4-5,8-11H,3,6-7H2,1-2H3"	"GXBGJEJMEDDSGC-UHFFFAOYSA-N"	"GXBGJEJMEDDSGC"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42849786976115634"	"CCC1CC2CC(C1C=C2)C"	"0.9003596819682871"	"4.0"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"53787568"	"InChI=1S/C11H18/c1-8-6-9(2)11(4-5-11)10(3)7-8/h8,10H,2,4-7H2,1,3H3/t8-,10-/m1/s1"	"DZPMHWVRKRPDPY-PSASIEDQSA-N"	"DZPMHWVRKRPDPY"	"PSASIEDQSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4284786326772819"	"C[C@H]1C[C@H](C2(CC2)C(=C)C1)C"	"0.9003192610095345"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"53787569"	"InChI=1S/C11H18/c1-8-6-9(2)11(4-5-11)10(3)7-8/h8,10H,2,4-7H2,1,3H3/t8-,10+/m1/s1"	"DZPMHWVRKRPDPY-SCZZXKLOSA-N"	"DZPMHWVRKRPDPY"	"SCZZXKLOSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4284786326772819"	"C[C@H]1C[C@@H](C2(CC2)C(=C)C1)C"	"0.9003192610095345"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"71333351"	"InChI=1S/C11H18/c1-4-5-11-7-6-9(2)10(3)8-11/h4-5,11H,6-8H2,1-3H3"	"WZJIECIBPQXTRP-UHFFFAOYSA-N"	"WZJIECIBPQXTRP"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42847087595358063"	"CC=CC1CCC(=C(C1)C)C"	"0.9003029625824532"	"2.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"91171322"	"InChI=1S/C11H18/c1-4-5-11-8-9(2)6-7-10(11)3/h4-5,9H,6-8H2,1-3H3"	"WXFMEYOTAOCAMU-UHFFFAOYSA-N"	"WXFMEYOTAOCAMU"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42847087595358063"	"CC=CC1=C(CCC(C1)C)C"	"0.9003029625824532"	"3.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"121217794"	"InChI=1S/C11H18/c1-4-5-11-7-6-9(2)10(3)8-11/h4-5,11H,6-8H2,1-3H3/b5-4+"	"WZJIECIBPQXTRP-SNAWJCMRSA-N"	"WZJIECIBPQXTRP"	"SNAWJCMRSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42847087595358063"	"C/C=C/C1CCC(=C(C1)C)C"	"0.9003029625824532"	"2.9"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"20829159"	"InChI=1S/C11H18/c1-4-11(3)8(2)9-5-6-10(11)7-9/h4,8-10H,1,5-7H2,2-3H3"	"RQCJXHMELFJMNP-UHFFFAOYSA-N"	"RQCJXHMELFJMNP"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42841595883364386"	"CC1C2CCC(C2)C1(C)C=C"	"0.9001875707354215"	"4.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"18318751"	"InChI=1S/C11H18/c1-2-3-4-10-7-9-5-6-11(10)8-9/h9H,2-8H2,1H3"	"PLBGXHGUKNIBMN-UHFFFAOYSA-N"	"PLBGXHGUKNIBMN"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42840995576743024"	"CCCCC1=C2CCC(C2)C1"	"0.9001749570932814"	"3.2"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"21584947"	"InChI=1S/C11H18/c1-2-3-4-10-7-9-5-6-11(10)8-9/h5,10-11H,2-4,6-8H2,1H3"	"VXTQJJBIFDHBDJ-UHFFFAOYSA-N"	"VXTQJJBIFDHBDJ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42840995576743024"	"CCCCC1CC2=CCC1C2"	"0.9001749570932814"	"3.6"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"23160178"	"InChI=1S/C11H18/c1-2-3-4-10-7-9-5-6-11(10)8-9/h6,9-10H,2-5,7-8H2,1H3"	"CWQOMYDXKPUWBQ-UHFFFAOYSA-N"	"CWQOMYDXKPUWBQ"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42840995576743024"	"CCCCC1CC2CC=C1C2"	"0.9001749570932814"	"3.7"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"91162348"	"InChI=1S/C11H18/c1-2-3-4-10-7-9-5-6-11(10)8-9/h7,10-11H,2-6,8H2,1H3"	"JTQMHNFZLPHURA-UHFFFAOYSA-N"	"JTQMHNFZLPHURA"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42840995576743024"	"CCCCC1C=C2CCC1C2"	"0.9001749570932814"	"3.7"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"91207147"	"InChI=1S/C11H18/c1-2-3-6-11-7-4-10(9-11)5-8-11/h4H,2-3,5-9H2,1H3"	"CEZDIUNJZNSHDO-UHFFFAOYSA-N"	"CEZDIUNJZNSHDO"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42840995576743024"	"CCCCC12CCC(=CC1)C2"	"0.9001749570932814"	"3.8"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"53943896"	"InChI=1S/C11H18/c1-3-10-8-5-6-9(7-8)11(10)4-2/h8-9H,3-7H2,1-2H3"	"IZSYQYCYPASJAV-UHFFFAOYSA-N"	"IZSYQYCYPASJAV"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.4283800285696297"	"CCC1=C(C2CCC1C2)CC"	"0.9001120740681945"	"3.1"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"10909743"	"InChI=1S/C11H18/c1-4-8-5-6-9-7-10(8)11(9,2)3/h5,9-10H,4,6-7H2,1-3H3/t9-,10-/m1/s1"	"ZWQAIGAZCBVYRW-NXEZZACHSA-N"	"ZWQAIGAZCBVYRW"	"NXEZZACHSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42834230928981987"	"CCC1=CC[C@@H]2C[C@H]1C2(C)C"	"0.9000328183211529"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"13346626"	"InChI=1S/C11H18/c1-4-8-5-6-9-7-10(8)11(9,2)3/h5,9-10H,4,6-7H2,1-3H3"	"ZWQAIGAZCBVYRW-UHFFFAOYSA-N"	"ZWQAIGAZCBVYRW"	"UHFFFAOYSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42834230928981987"	"CCC1=CCC2CC1C2(C)C"	"0.9000328183211529"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"13346627"	"InChI=1S/C11H18/c1-4-8-5-6-9-7-10(8)11(9,2)3/h5,9-10H,4,6-7H2,1-3H3/t9-,10+/m0/s1"	"ZWQAIGAZCBVYRW-VHSXEESVSA-N"	"ZWQAIGAZCBVYRW"	"VHSXEESVSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42834230928981987"	"CCC1=CC[C@H]2C[C@H]1C2(C)C"	"0.9000328183211529"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"18649415"	"InChI=1S/C11H18/c1-4-8-5-6-9-7-10(8)11(9,2)3/h5,9-10H,4,6-7H2,1-3H3/t9-,10-/m0/s1"	"ZWQAIGAZCBVYRW-UWVGGRQHSA-N"	"ZWQAIGAZCBVYRW"	"UWVGGRQHSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42834230928981987"	"CCC1=CC[C@H]2C[C@@H]1C2(C)C"	"0.9000328183211529"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"18736429"	"InChI=1S/C11H18/c1-4-8-5-6-9-7-10(8)11(9,2)3/h5,9-10H,4,6-7H2,1-3H3/t9?,10-/m0/s1"	"ZWQAIGAZCBVYRW-AXDSSHIGSA-N"	"ZWQAIGAZCBVYRW"	"AXDSSHIGSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42834230928981987"	"CCC1=CCC2C[C@@H]1C2(C)C"	"0.9000328183211529"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:1"	"1_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"71355544"	"InChI=1S/C11H18/c1-4-8-5-6-9-7-10(8)11(9,2)3/h5,9-10H,4,6-7H2,1-3H3/t9?,10-/m1/s1"	"ZWQAIGAZCBVYRW-QVDQXJPCSA-N"	"ZWQAIGAZCBVYRW"	"QVDQXJPCSA"	""	"2"	"C11H18"	"150.141"	"0"	"1"	"0.42834230928981987"	"CCC1=CCC2C[C@H]1C2(C)C"	"0.9000328183211529"	"3.3"
"pos_27_winter_Marpol_27_2.E.3_01_17272:3"	"3_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"58388582"	"InChI=1S/C7H12BN2O2/c1-7(2)5(6(11)10-7)3-8-12-4-9/h4-5,9H,3H2,1-2H3,(H,10,11)/t5-/m0/s1"	"XIHJCRXAGNALRG-YFKPBYRVSA-N"	"XIHJCRXAGNALRG"	"YFKPBYRVSA"	""	"2"	"C7H12BN2O2"	"167.099"	"0"	"4"	"1.5470427531052695"	"[B](C[C@H]1C(=O)NC1(C)C)OC=N"	"1.0"	"NA"
"pos_27_winter_Marpol_27_2.E.3_01_17272:3"	"3_metfrag_result"	""	"NA"	"NA"	"0.0"	"NA"	"NA"	"58388594"	"InChI=1S/C7H12BN2O2/c1-7(2)5(6(12)10-7)3-9-8-4-11/h4-5,9H,3H2,1-2H3,(H,10,12)/t5-/m0/s1"	"PWRLPWKSXSARSR-YFKPBYRVSA-N"	"PWRLPWKSXSARSR"	"YFKPBYRVSA"	""	"2"	"C7H12BN2O2"	"167.099"	"0"	"4"	"1.498351308532521"	"[B](C=O)NC[C@H]1C(=O)NC1(C)C"	"0.9685261157295016"	"NA"