view test-data/outFull_test01.tabular @ 0:94eeed7f737f draft default tip

planemo upload commit 399d2714dd85043f2ed8bdeff05bb1ccd4c5dd29
author fgiacomoni
date Fri, 27 Nov 2020 10:06:35 +0000
parents
children
line wrap: on
line source

namecustom	mz	rt	_MESURED_MONOISOTOPIC_MASS_	_PPM_ERROR_	_COMPUTED_MONOISOTOPIC_MASS_	_ANNOTATION_NAME_	_ANNOTATION_TYPE_	_ANNOTATION_IN_NEG_MODE_	_ANNOTATION_IN_POS_MODE_	_ANNOTATION_FORMULA_
M163.06T0.91_1	163.0600211	0.912616991	163.0600211	0	163.060	617-57-2	NA	NA	NA	NA
M203.0526T0.91	203.0525999	0.911566282	203.0525999	4.9	203.052	2-Naphthylthiolacetate	NA	NA	NA	NA
M441.0748T0.92	441.0747851	0.916097247	441.0747851	0	0	NA	NA	NA	NA	NA
M442.0783T0.92	442.0782549	0.916186495	442.0782549	0	0	NA	NA	NA	NA	NA
M55.0175T0.92	55.01752528	0.91666581	55.01752528	0	0	NA	NA	NA	NA	NA
M261.1445T7.64	261.1445305	7.641431623	261.1445305	3.8	261.144	Leu-Glu	NA	NA	NA	NA
M499.0334T0.92	499.0334405	0.917392648	499.0334405	0	0	NA	NA	NA	NA	NA
M261.0113T0.92	261.0112717	0.916542478	261.0112717	0	0	NA	NA	NA	NA	NA
M223.0925T0.93	223.0924754	0.933717413	223.0924754	0	223.092	"l-glutamic acid glycine"	NA	NA	NA	NA
M130.0862T1.19	130.0862383	1.188770749	130.0862383	0	130.086	cycloleucine	NA	NA	NA	NA
M351.1263T1	351.1263073	1.004764876	351.1263073	0	351.126	"Estrone sulfate"	NA	NA	NA	NA
M295.129T7.97	295.1289569	7.969298229	295.1289569	0	295.129	aspartame	NA	NA	NA	NA
M247.1288T6.16	247.1288408	6.164260224	247.1288408	0	247.129	Ile-Asp	NA	NA	NA	NA
M501.0308T0.92	501.0308336	0.917928386	501.0308336	0	0	NA	NA	NA	NA	NA
M286.132T14.67	286.1320163	14.67302735	286.1320163	0	0	NA	NA	NA	NA	NA
M520.3397T14.67	520.3397216	14.67197174	520.3397216	0	520.34	1-Linoleoylglycerophosphocholine	NA	NA	NA	NA
M118.0863T1.19	118.0862558	1.189372545	118.0862558	0	118.086	L-valine	NA	NA	NA	NA
M187.0577T1	187.0576896	1.004685352	187.0576896	0	0	NA	NA	NA	NA	NA
M132.1018T2.21	132.1018003	2.205312814	132.1018003	0	132.102	L-leucine	NA	NA	NA	NA
M558.2954T14.67	558.2953679	14.67181976	558.2953679	1.8	558.296	PD-140723	NA	NA	NA	NA
M263.0085T0.92	263.0085388	0.91659379	263.0085388	0	263.009	O-Mustard	NA	NA	NA	NA
M540.3166T14.67_2	540.3165587	14.6715756	540.3165587	0	0	NA	NA	NA	NA	NA
M232.1544T7.19	232.1543851	7.186558325	232.1543851	0	232.154	O-Butanoylcarnitine	NA	NA	NA	NA
M546.7962T14.67_1	546.7961664	14.66986086	546.7961664	0	0	NA	NA	NA	NA	NA
M357.2789T14.73	357.2788908	14.72633365	357.2788908	0	357.279	"6,9,12,15,18,21-Tetracosahexaenoic acid"	NA	NA	NA	NA
M508.3776T17.1	508.3776335	17.09772877	508.3776335	3.9	508.376	PC(O-18:1(11Z)/0:0)	NA	NA	NA	NA
M302.6499T15.91	302.6499465	15.90538798	302.6499465	0	0	NA	NA	NA	NA	NA
M663.2685T9.4	663.2685122	9.403765695	663.2685122	0	0	NA	NA	NA	NA	NA
M682.242T9.41	682.2420345	9.405045319	682.2420345	0	0	NA	NA	NA	NA	NA
M467.8124T9.41	467.8124249	9.408233843	467.8124249	0	0	NA	NA	NA	NA	NA
M646.7104T9.72	646.7104123	9.723775829	646.7104123	0	0	NA	NA	NA	NA	NA
M657.6995T9.73_1	657.6994811	9.728430954	657.6994811	0	0	NA	NA	NA	NA	NA
M76.0391T1.2	76.03912315	1.202980924	76.03912315	0	76.039	glycine	NA	NA	NA	NA
M690.2267T9.4	690.2267099	9.401721384	690.2267099	0	0	NA	NA	NA	NA	NA
M665.1818T9.73	665.1818291	9.726980925	665.1818291	0	0	NA	NA	NA	NA	NA
M638.7257T9.73_1	638.7257377	9.726128849	638.7257377	0	0	NA	NA	NA	NA	NA
M120.0655T0.9	120.0654827	0.898810452	120.0654827	0	120.065	L-threonine	NA	NA	NA	NA
M282.6517T15.89	282.651664	15.88516814	282.651664	0	0	NA	NA	NA	NA	NA
M541.3295T15.55	541.3294815	15.55423805	541.3294815	5.5	541.332	Diaethiphenum	NA	NA	NA	NA
M619.7523T9.73_1	619.7522549	9.725702763	619.7522549	0	0	NA	NA	NA	NA	NA
M277.1223T0.99	277.1222795	0.994139884	277.1222795	3.6	277.123	Etintidine	NA	NA	NA	NA
M480.3449T15.59	480.3448707	15.5859208	480.3448707	0	480.345	PC(O-16:1(11Z)/0:0)	NA	NA	NA	NA
M118.0862T0.92	118.0862318	0.916688114	118.0862318	0	118.086	L-valine	NA	NA	NA	NA
M132.1018T2.52	132.101802	2.515621998	132.101802	0	132.102	L-leucine	NA	NA	NA	NA
M482.3605T15.52	482.3604772	15.51560582	482.3604772	0	482.360	1-hexadecyl-sn-glycero-3-phosphocholine	NA	NA	NA	NA
M281.6627T16.66_1	281.6627059	16.65766751	281.6627059	0	0	NA	NA	NA	NA	NA
M205.0573T0.91	205.0573067	0.913112018	205.0573067	0	0	NA	NA	NA	NA	NA
M276.9852T0.92	276.9851713	0.915792625	276.9851713	0	276.985	"3,5-Bis(trifluoromethyl)benzoyl chloride"	NA	NA	NA	NA
M520.3398T14.88	520.3397934	14.8779262	520.3397934	0	520.34	1-Linoleoylglycerophosphocholine	NA	NA	NA	NA
M323.0026T0.95	323.0025784	0.950513735	323.0025784	0	0	NA	NA	NA	NA	NA
M337.1121T9.27	337.1120525	9.268822682	337.1120525	0	0	NA	NA	NA	NA	NA
M438.8017T9.73_1	438.8017061	9.733084287	438.8017061	0	0	NA	NA	NA	NA	NA
M486.191T9.25	486.1910499	9.254694618	486.1910499	0	0	NA	NA	NA	NA	NA
M558.9894T0.92	558.9893584	0.916720651	558.9893584	0	0	NA	NA	NA	NA	NA
M548.8119T15.55_1	548.8119189	15.55415357	548.8119189	0	0	NA	NA	NA	NA	NA
M506.3607T15.94	506.3606561	15.94271835	506.3606561	2.0	506.360	PC(P-18:1(9Z)/0:0)	NA	NA	NA	NA
M565.2258T9.1	565.225847	9.097821323	565.225847	0	0	NA	NA	NA	NA	NA
M72.0805T1.19	72.080525	1.194320605	72.080525	0	0	NA	NA	NA	NA	NA
M321.6673T16.66_1	321.6673244	16.66299159	321.6673244	0	0	NA	NA	NA	NA	NA
M505.1644T9.26	505.1644212	9.260182382	505.1644212	0	505.164	PM-10	NA	NA	NA	NA
M210.0437T8.27	210.0437419	8.266156055	210.0437419	4.8	210.043	"cysteine lactate"	NA	NA	NA	NA
M390.1359T9.11_2	390.1358901	9.113768325	390.1358901	0	0	NA	NA	NA	NA	NA
M137.5972T1.03	137.5971647	1.033860322	137.5971647	0	0	NA	NA	NA	NA	NA
M225.987T0.72	225.9869922	0.719940404	225.9869922	4.4	225.986	3-Bromocinnamamide	NA	NA	NA	NA
M310.1615T16.66_2	310.1615467	16.65966195	310.1615467	0	310.162	Metixene	NA	NA	NA	NA
M570.3554T14.98	570.3553711	14.98019772	570.3553711	0	570.355	1-osbondoyl-glycero-3-phosphocholine	NA	NA	NA	NA
M152.0366T0.73	152.0366063	0.725451016	152.0366063	0	0	NA	NA	NA	NA	NA
M542.3328T15.55_2	542.3327789	15.55478817	542.3327789	0	0	NA	NA	NA	NA	NA
M116.0706T0.98	116.0705554	0.9848725	116.0705554	0	116.071	L-prolinium	NA	NA	NA	NA
M105.0039T0.73_1	105.0038616	0.73215505	105.0038616	0	0	NA	NA	NA	NA	NA
M128.0195T0.73_2	128.0194748	0.729305706	128.0194748	0	0	NA	NA	NA	NA	NA
M110.0085T0.73_2	110.0085433	0.728925333	110.0085433	0	0	NA	NA	NA	NA	NA
M522.3554T15.56	522.3554426	15.5630593	522.3554426	0	522.355	LysoPC(18:1(11Z))	NA	NA	NA	NA
M524.3711T16.66	524.371144	16.65514946	524.371144	0	524.371	"Platelet activating factor"	NA	NA	NA	NA
M556.9921T0.92	556.9920524	0.916955588	556.9920524	0	0	NA	NA	NA	NA	NA
M310.2015T10.61	310.2014857	10.61435039	310.2014857	0	310.201	Metipranolol	NA	NA	NA	NA
M170.0661T0.72_2	170.066114	0.724315422	170.066114	0	0	NA	NA	NA	NA	NA
M290.6683T16.66_2	290.6682628	16.6615692	290.6682628	0	0	NA	NA	NA	NA	NA
M313.1603T16.66_2	313.1603103	16.66008074	313.1603103	0	0	NA	NA	NA	NA	NA
M62.5241T0.73_1	62.5241145	0.73232796	62.5241145	0	0	NA	NA	NA	NA	NA
M267.0427T8.26	267.0427295	8.26229812	267.0427295	0	0	NA	NA	NA	NA	NA
M389.8019T9.11_1	389.8019187	9.112956985	389.8019187	0	0	NA	NA	NA	NA	NA
M553.8318T16.66_1	553.8317957	16.66084814	553.8317957	0	0	NA	NA	NA	NA	NA
M568.3397T14.65	568.3396938	14.65477094	568.3396938	1.8	568.339	"lysoPC 22:6"	NA	NA	NA	NA
M551.8313T16.66_1	551.8313241	16.66042173	551.8313241	0	0	NA	NA	NA	NA	NA
M62.0235T0.73_3	62.02349536	0.731972496	62.02349536	0	0	NA	NA	NA	NA	NA
M268.1544T7.98	268.1544071	7.982259846	268.1544071	0	268.154	Diethofencarb	NA	NA	NA	NA
M82.0137T0.73_2	82.01370683	0.731192004	82.01370683	0	0	NA	NA	NA	NA	NA
M66.0185T0.73	66.01854141	0.73167329	66.01854141	0	0	NA	NA	NA	NA	NA
M291.1409T15.55_2	291.140918	15.55435739	291.140918	0	291.14	"Toluylene blue"	NA	NA	NA	NA
M429.1696T9.35	429.1696046	9.352239803	429.1696046	0	0	NA	NA	NA	NA	NA
M290.1431T15.56_2	290.1431152	15.55509376	290.1431152	3.4	290.142	Chloropyramine	NA	NA	NA	NA
M290.6396T15.55_1	290.6396364	15.55471556	290.6396364	0	0	NA	NA	NA	NA	NA
M228.9558T0.82	228.9558107	0.817588977	228.9558107	0	228.956	146847-76-9	NA	NA	NA	NA
M550.8282T16.66_1	550.8281876	16.66001451	550.8281876	0	0	NA	NA	NA	NA	NA
M311.6638T16.66_1	311.6638456	16.65968704	311.6638456	0	0	NA	NA	NA	NA	NA
M102.5529T0.73_1	102.5529262	0.727739191	102.5529262	0	0	NA	NA	NA	NA	NA
M330.2463T13.4	330.2462958	13.39950997	330.2462958	0	0	NA	NA	NA	NA	NA
M55.0539T1.19	55.05392711	1.192797342	55.05392711	0	55.054	1,3-BUTADIENE	NA	NA	NA	NA
M224.9902T0.72	224.9902413	0.721571604	224.9902413	0	0	NA	NA	NA	NA	NA
M504.3085T15.12	504.3085371	15.1162676	504.3085371	2.0	504.308	LysoPE(0:0/20:3(11Z,14Z,17Z))	NA	NA	NA	NA
M73.5315T0.73_1	73.53153592	0.72986669	73.53153592	0	0	NA	NA	NA	NA	NA
M552.3317T16.66_2	552.3316931	16.66077074	552.3316931	0	0	NA	NA	NA	NA	NA
M311.1625T16.37	311.1625016	16.37256941	311.1625016	3.2	311.164	Avobenzone	NA	NA	NA	NA
M320.168T16.66	320.1680163	16.66220714	320.1680163	0	0	NA	NA	NA	NA	NA