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planemo upload for repository https://github.com/workflow4metabolomics/metaMS commit da591ff5cf75541414a83ec00b824e35a7e486d2-dirty
author workflow4metabolomics
date Mon, 20 Jul 2020 03:37:06 -0400
parents b8d4129dd2a6
children
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"Name"	"DB.idx"	"RI"	"Formula"	"monoMW"	"Class"	"std.rt"	"rt.sd"	"rt"	"alg3"	"alg8"	"alg7"	"alg9"	"alg11"	"alg2"
"Glycine, 3TMS"	4	1302.682	"C11H29NO2Si3"	291.61	"Standard"	13.965	0.0267	13.973	8986693	18739515	23638072	64542302	73997431	3271105
"Pyroglutamic acid, 2TMS"	5	1650.417	"C11H23NO3Si2"	273.477	"Standard"	19.513	0.0247	19.512	52421941	117387451	201537792	172306142	173875991	17771445
"Alanine, 3TMS"	6	1360.504	"C12H31NO2Si3"	305.637	"Manual"	15.323	0.028	15.332	16302374	40418507	56198912	47836465	75099028	5873408
"Aspartic acid, 2TMS"	7	1422.39	"C10H23NO4Si2"	277.465	"Manual"	17.071	0.0359	17.09	5491883	30361752	53297090	31703522	43848521	0
"Tryptamine, 2TMS"	8	2224.531	"C16H28N2Si2"	304.578	"Manual"	19.044	0.036	19.068	24418912	21999992	12482634	19565268	29742266	12344352
"Unknown 1"	NA	NA	NA	NA	"Unknown"	NA	0.0049	10.488	2608558	7958675	10512729	0	0	716439
"Unknown 2"	NA	NA	NA	NA	"Unknown"	NA	0.005	11.428	992454	1414530	0	0	0	350707
"Unknown 3"	NA	NA	NA	NA	"Unknown"	NA	0.0037	13.262	0	47472144	65646101	48115807	0	0
"Unknown 4"	NA	NA	NA	NA	"Unknown"	NA	0.0032	17.879	0	17508248	9099661	16725736	22787828	0
"Unknown 5"	NA	NA	NA	NA	"Unknown"	NA	0.0046	17.181	0	15283058	7754880	13107264	19795467	0
"Unknown 6"	NA	NA	NA	NA	"Unknown"	NA	0.004	13.327	0	5270387	6059689	6659142	0	0