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view test-data/out_test01.tabular @ 1:adf9ae010b1c draft

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planemo upload for repository https://github.com/workflow4metabolomics/tool-bank-lipidmaps.git commit 7028ace57a9bbcefccb40cf4c841ef8a92646e06
author fgiacomoni
date Tue, 11 Apr 2017 04:09:58 -0400
parents e8bd49794291
children
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ions	"NeutralMass -Na"	"NeutralMass -NH4 "	"NeutralMass -H"	mz	rt	mzmin	mzmax	rtsec	rtmin	rtmax	npeaks	pr172	isotopes	adduct	pcgroup	LIPIDMAPS(score::name::mz::formula::adduct::id)
p579.5421T0.1	565.5390	552.5210	578.5342	579.5421	0.1	579.5421	579.5421	7.5721	7.5721	7.5721	2	2			412	"No_result_found_on LMDS"
p666.6033T0.1	652.6002	639.5822	665.5955	666.6033	0.1	666.6033	666.6033	4.9551	4.9551	4.9551	2	2			412	"No_result_found_on LMDS"
p680.4732T0.1	666.4701	653.4521	679.4654	680.4732	0.1	680.4732	680.4732	7.5721	7.5721	7.5721	2	2			412	"No_result_found_on LMDS"
p682.5927T0.1	668.5896	655.5716	681.5849	682.5927	0.1	682.5910	682.5944	8.8914	7.5721	10.2107	4	2		"[M+K]+ 643.637"	95	"No_result_found_on LMDS"
p712.6519T0.1	698.6489	685.6309	711.6441	712.6519	0.1	712.6501	712.6537	6.2636	4.9551	7.5721	4	2			412	"No_result_found_on LMDS"
p523.468T0.2	509.4649	496.4469	522.4602	523.4680	0.2	523.4668	523.4691	12.8173	12.8173	12.8173	4	2		"[M+K]+ 484.508 [M+Na]+ 500.482 [M+H]+ 522.464"	180	"No_result_found_on LMDS"
p523.4736T0.2	509.4706	496.4526	522.4658	523.4736	0.2	523.4714	523.4759	12.8173	12.8173	12.8173	6	2		"[M+K]+ 484.508 [M+Na]+ 500.482 [M+H]+ 522.464"	180	"No_result_found_on LMDS"
p668.6109T0.2	654.6078	641.5898	667.6031	668.6109	0.2	668.6109	668.6109	12.8173	12.8173	12.8173	2	2		"[M+K]+ 629.651 [M+Na]+ 645.625 [M+H]+ 667.607"	180	"No_result_found_on LMDS"
p668.6174T0.2	654.6144	641.5964	667.6096	668.6174	0.2	668.6174	668.6174	12.8173	12.8173	12.8173	2	2	[520][M]+	"[M+K]+ 629.651 [M+Na]+ 645.625 [M+H]+ 667.607"	180	"No_result_found_on LMDS"
p669.6197T0.2	655.6167	642.5987	668.6119	669.6197	0.2	669.6181	669.6214	12.8173	12.8173	12.8173	4	2	[520][M+1]+		180	-0.23::(PI_21:0)::(C30H59O12P)::LMGP06050025
p680.485T0.2	666.4819	653.4639	679.4771	680.4850	0.2	680.4833	680.4866	10.2107	10.2107	10.2107	4	2			95	"No_result_found_on LMDS"
p682.6045T0.2	668.6014	655.5834	681.5966	682.6045	0.2	682.6045	682.6045	10.2107	10.2107	10.2107	2	2		"[M+K]+ 643.637"	95	"No_result_found_on LMDS"
p683.5928T0.2	669.5897	656.5718	682.5850	683.5928	0.2	683.5928	683.5928	10.2107	10.2107	10.2107	2	2		"[M+K]+ 644.638 [M+Na]+ 660.612 [M+H]+ 682.594"	95	-0.18::(PI_22:0)::(C31H61O12P)::LMGP06050024
p683.6013T0.2	669.5982	656.5802	682.5934	683.6013	0.2	683.5962	683.6063	10.2107	10.2107	10.2107	8	2	[562][M]+	"[M+K]+ 644.638 [M+Na]+ 660.612 [M+H]+ 682.594"	95	-0.19::(PI_22:0)::(C31H61O12P)::LMGP06050024
p683.6097T0.2	669.6066	656.5886	682.6019	683.6097	0.2	683.6097	683.6097	10.2107	10.2107	10.2107	2	2		"[M+K]+ 644.638 [M+Na]+ 660.612 [M+H]+ 682.594"	95	-0.20::(PI_22:0)::(C31H61O12P)::LMGP06050024
p684.6036T0.2	670.6005	657.5825	683.5958	684.6036	0.2	684.6036	684.6036	10.2107	10.2107	10.2107	2	2	[562][M+1]+		95	"No_result_found_on LMDS"
p700.5688T0.2	686.5658	673.5478	699.5610	700.5688	0.2	700.5671	700.5706	10.2107	10.2107	10.2107	4	2		"[M+K]+ 661.613 [M+Na]+ 677.587 [M+H]+ 699.569"	95	"No_result_found_on LMDS"
p700.5829T0.2	686.5798	673.5618	699.5750	700.5829	0.2	700.5776	700.5881	10.2107	10.2107	10.2107	4	2		"[M+K]+ 661.613 [M+Na]+ 677.587 [M+H]+ 699.569"	95	"No_result_found_on LMDS"
p700.5969T0.2	686.5938	673.5758	699.5890	700.5969	0.2	700.5916	700.6021	10.2107	10.2107	10.2107	8	2		"[M+K]+ 661.639 [M+Na]+ 677.613"	95	"No_result_found_on LMDS"
p700.6074T0.2	686.6043	673.5863	699.5995	700.6074	0.2	700.6056	700.6091	10.2107	10.2107	10.2107	4	2		"[M+K]+ 661.639 [M+Na]+ 677.613"	95	"No_result_found_on LMDS"