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diff test-data/winter_pos.msp @ 1:c1b168770b68 draft

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planemo upload for repository https://github.com/computational-metabolomics/metfrag-galaxy commit 5b384bd55e5bb4b0dc1daebd2ef5d3ee0e379b2e-dirty
author tomnl
date Fri, 31 May 2019 04:41:09 -0400
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/winter_pos.msp	Fri May 31 04:41:09 2019 -0400
@@ -0,0 +1,34 @@
+NAME: pos_27_winter_Marpol_27_2.E.3_01_17272:1
+AlignmentID: 1
+RETENTIONTIME: 720.852
+PRECURSORMZ: 149.13513692
+METABOLITENAME: Unknown
+ADDUCTIONNAME: [M+H]+
+NumPeaks: 3
+121.099329887276	182
+149.133267159026	510
+150.14016979533	114
+
+NAME: pos_27_winter_Marpol_27_2.E.3_01_17272:2
+AlignmentID: 2
+RETENTIONTIME: 650.574
+PRECURSORMZ: 151.11569214
+METABOLITENAME: Unknown
+ADDUCTIONNAME: [M+H]+
+NumPeaks: 3
+136.090178471023	168
+151.110697295085	1052
+152.117423567352	136
+
+NAME: pos_27_winter_Marpol_27_2.E.3_01_17272:3
+AlignmentID: 3
+RETENTIONTIME: 42.174
+PRECURSORMZ: 166.09213257
+METABOLITENAME: Unknown
+ADDUCTIONNAME: [M+H]+
+NumPeaks: 5
+121.067062911877	262
+131.049505932606	146
+137.060202192821	531
+149.059561491169	254
+166.08537028381	545