annotate test-data/out_test01.tabular @ 0:023c380900ef draft default tip

Init repository with last massbank_ws_searchspectrum master version

mz	mzmin	mzmax	rt	rtmin	rtmax	into	intb	maxo	sn	sample	isotopes	adduct	pcgroup	massbank(score::name::mz::formula::adduct::id)
303.0485467	303.0479126	303.0501709	273.698	270.334	278.072	247182.3356	246032.8821	80132	351	1	[8][M]+		1	0.722183932245::[Rutin]::610.15338::C27H30O16::[[M+H]+]::TY000246 | 0.718240688151::[Rutin ]::610.15338::C27H30O16::[ [M+H]+]::PB006201 | 0.676089256465::[Rutin]::610.15338::C27H30O16::[ [M+H]+]::FIO00588 | 0.631453810993::[Hyperoside]::464.09548::C21H20O12::[ [M+H]+]::FIO00150 | 0.630268036021::[Isoquercitrin]::464.09548::C21H20O12::[[M+H]+]::TY000218 | 0.629320319716::[Isoquercitrin]::464.09548::C21H20O12::[ [M+H]+]::FIO00160 | 0.628953392993::[Rutin]::610.15338::C27H30O16::[ [M+H]+]::FIO00589 | 0.618103117363::[Quercetin-3-beta-O-galactoside]::464.09548::C21H20O12::[ [M+H]+]::PR020075 | 0.609833904994::[Quercetin-3-O-beta-glucopyranoside]::464.09548::C21H20O12::[ [M+H]+]::PR020078 | 0.593021369395::[Quercetin-3-O-rutinoside]::610.15338::C27H30O16::[ [M+H]+]::PR020080 | 0.591111986992::[Hesperidin]::610.18977::C28H34O15::[ [M+H]+]::FIO00483 | 0.585927069664::[Hesperetin-7-O-neohesperidoside]::610.18977::C28H34O15::[ [M+H]+]::PR020045 | 0.571213973695::[Hirsutrin]::464.09548::C21H20O12::[[M+H]+]::TY000168 | 0.526179514801::[Hesperidin]::610.18977::C28H34O15::[ [M+H]+]::FIO00484 | 0.503808010925::[Hesperetin-7-O-rutinoside]::610.18977::C28H34O15::[ [M+H]+]::PR020046
304.0519266	304.050354	304.0531006	273.362	270.671	278.072	39377.69332	39179.45225	12431	267	1	[8][M+1]+		1	0.722183932245::[Rutin]::610.15338::C27H30O16::[[M+H]+]::TY000246 | 0.718240688151::[Rutin ]::610.15338::C27H30O16::[ [M+H]+]::PB006201 | 0.676089256465::[Rutin]::610.15338::C27H30O16::[ [M+H]+]::FIO00588 | 0.631453810993::[Hyperoside]::464.09548::C21H20O12::[ [M+H]+]::FIO00150 | 0.630268036021::[Isoquercitrin]::464.09548::C21H20O12::[[M+H]+]::TY000218 | 0.629320319716::[Isoquercitrin]::464.09548::C21H20O12::[ [M+H]+]::FIO00160 | 0.628953392993::[Rutin]::610.15338::C27H30O16::[ [M+H]+]::FIO00589 | 0.618103117363::[Quercetin-3-beta-O-galactoside]::464.09548::C21H20O12::[ [M+H]+]::PR020075 | 0.609833904994::[Quercetin-3-O-beta-glucopyranoside]::464.09548::C21H20O12::[ [M+H]+]::PR020078 | 0.593021369395::[Quercetin-3-O-rutinoside]::610.15338::C27H30O16::[ [M+H]+]::PR020080 | 0.591111986992::[Hesperidin]::610.18977::C28H34O15::[ [M+H]+]::FIO00483 | 0.585927069664::[Hesperetin-7-O-neohesperidoside]::610.18977::C28H34O15::[ [M+H]+]::PR020045 | 0.571213973695::[Hirsutrin]::464.09548::C21H20O12::[[M+H]+]::TY000168 | 0.526179514801::[Hesperidin]::610.18977::C28H34O15::[ [M+H]+]::FIO00484 | 0.503808010925::[Hesperetin-7-O-rutinoside]::610.18977::C28H34O15::[ [M+H]+]::PR020046
305.0552454	305.0523376	305.0632324	274.034	271.007	278.072	6932.447143	6916.875306	2489	149	1	[8][M+2]+		1	0.722183932245::[Rutin]::610.15338::C27H30O16::[[M+H]+]::TY000246 | 0.718240688151::[Rutin ]::610.15338::C27H30O16::[ [M+H]+]::PB006201 | 0.676089256465::[Rutin]::610.15338::C27H30O16::[ [M+H]+]::FIO00588 | 0.631453810993::[Hyperoside]::464.09548::C21H20O12::[ [M+H]+]::FIO00150 | 0.630268036021::[Isoquercitrin]::464.09548::C21H20O12::[[M+H]+]::TY000218 | 0.629320319716::[Isoquercitrin]::464.09548::C21H20O12::[ [M+H]+]::FIO00160 | 0.628953392993::[Rutin]::610.15338::C27H30O16::[ [M+H]+]::FIO00589 | 0.618103117363::[Quercetin-3-beta-O-galactoside]::464.09548::C21H20O12::[ [M+H]+]::PR020075 | 0.609833904994::[Quercetin-3-O-beta-glucopyranoside]::464.09548::C21H20O12::[ [M+H]+]::PR020078 | 0.593021369395::[Quercetin-3-O-rutinoside]::610.15338::C27H30O16::[ [M+H]+]::PR020080 | 0.591111986992::[Hesperidin]::610.18977::C28H34O15::[ [M+H]+]::FIO00483 | 0.585927069664::[Hesperetin-7-O-neohesperidoside]::610.18977::C28H34O15::[ [M+H]+]::PR020045 | 0.571213973695::[Hirsutrin]::464.09548::C21H20O12::[[M+H]+]::TY000168 | 0.526179514801::[Hesperidin]::610.18977::C28H34O15::[ [M+H]+]::FIO00484 | 0.503808010925::[Hesperetin-7-O-rutinoside]::610.18977::C28H34O15::[ [M+H]+]::PR020046
325.0531081	325.0501099	325.0581665	273.698	271.007	278.744	16589.13717	16498.21541	4449	72	1	[1][M]+		1	NONE
325.5558227	325.5527039	325.5592346	273.698	270.334	278.744	5385.764	5364.939238	1474	158	1			1	NONE
326.0658445	326.0617065	326.0741272	274.034	271.007	278.408	3192.858682	3180.844071	959	118	1	[1][M+1]+		1	NONE
334.0589389	334.0574951	334.0603943	273.698	270.334	278.744	54965.0688	54850.32436	13751	389	1			1	NONE
334.5601886	334.5524292	334.5627747	273.362	270.334	279.753	16357.10268	16227.57541	4281	166	1			1	NONE
335.0608018	335.0567017	335.0646362	274.034	270.671	278.072	5194.492773	5184.064091	1421	148	1			1	NONE
465.101281	465.0989685	465.1035461	273.698	270.334	278.408	108485.9646	108377.6304	35620	1343	1	[10][M]+	[M+H-C6H10O4]+ 610.147	1	0.722183932245::[Rutin]::610.15338::C27H30O16::[[M+H]+]::TY000246 | 0.718240688151::[Rutin ]::610.15338::C27H30O16::[ [M+H]+]::PB006201 | 0.676089256465::[Rutin]::610.15338::C27H30O16::[ [M+H]+]::FIO00588 | 0.631453810993::[Hyperoside]::464.09548::C21H20O12::[ [M+H]+]::FIO00150 | 0.630268036021::[Isoquercitrin]::464.09548::C21H20O12::[[M+H]+]::TY000218 | 0.629320319716::[Isoquercitrin]::464.09548::C21H20O12::[ [M+H]+]::FIO00160 | 0.628953392993::[Rutin]::610.15338::C27H30O16::[ [M+H]+]::FIO00589 | 0.618103117363::[Quercetin-3-beta-O-galactoside]::464.09548::C21H20O12::[ [M+H]+]::PR020075 | 0.609833904994::[Quercetin-3-O-beta-glucopyranoside]::464.09548::C21H20O12::[ [M+H]+]::PR020078 | 0.593021369395::[Quercetin-3-O-rutinoside]::610.15338::C27H30O16::[ [M+H]+]::PR020080 | 0.591111986992::[Hesperidin]::610.18977::C28H34O15::[ [M+H]+]::FIO00483 | 0.585927069664::[Hesperetin-7-O-neohesperidoside]::610.18977::C28H34O15::[ [M+H]+]::PR020045 | 0.571213973695::[Hirsutrin]::464.09548::C21H20O12::[[M+H]+]::TY000168 | 0.526179514801::[Hesperidin]::610.18977::C28H34O15::[ [M+H]+]::FIO00484 | 0.503808010925::[Hesperetin-7-O-rutinoside]::610.18977::C28H34O15::[ [M+H]+]::PR020046
466.1044404	466.0985107	466.1070862	273.362	270.334	278.072	26116.08643	26072.63829	8449	532	1	[10][M+1]+		1	0.722183932245::[Rutin]::610.15338::C27H30O16::[[M+H]+]::TY000246 | 0.718240688151::[Rutin ]::610.15338::C27H30O16::[ [M+H]+]::PB006201 | 0.676089256465::[Rutin]::610.15338::C27H30O16::[ [M+H]+]::FIO00588 | 0.631453810993::[Hyperoside]::464.09548::C21H20O12::[ [M+H]+]::FIO00150 | 0.630268036021::[Isoquercitrin]::464.09548::C21H20O12::[[M+H]+]::TY000218 | 0.629320319716::[Isoquercitrin]::464.09548::C21H20O12::[ [M+H]+]::FIO00160 | 0.628953392993::[Rutin]::610.15338::C27H30O16::[ [M+H]+]::FIO00589 | 0.618103117363::[Quercetin-3-beta-O-galactoside]::464.09548::C21H20O12::[ [M+H]+]::PR020075 | 0.609833904994::[Quercetin-3-O-beta-glucopyranoside]::464.09548::C21H20O12::[ [M+H]+]::PR020078 | 0.593021369395::[Quercetin-3-O-rutinoside]::610.15338::C27H30O16::[ [M+H]+]::PR020080 | 0.591111986992::[Hesperidin]::610.18977::C28H34O15::[ [M+H]+]::FIO00483 | 0.585927069664::[Hesperetin-7-O-neohesperidoside]::610.18977::C28H34O15::[ [M+H]+]::PR020045 | 0.571213973695::[Hirsutrin]::464.09548::C21H20O12::[[M+H]+]::TY000168 | 0.526179514801::[Hesperidin]::610.18977::C28H34O15::[ [M+H]+]::FIO00484 | 0.503808010925::[Hesperetin-7-O-rutinoside]::610.18977::C28H34O15::[ [M+H]+]::PR020046
467.1065989	467.1006775	467.1124573	274.034	270.671	278.072	5576.989909	5560.706107	2070	174	1	[10][M+2]+		1	0.718240688151::[Rutin ]::610.15338::C27H30O16::[ [M+H]+]::PB006201 | 0.676089256465::[Rutin]::610.15338::C27H30O16::[ [M+H]+]::FIO00588 | 0.631453810993::[Hyperoside]::464.09548::C21H20O12::[ [M+H]+]::FIO00150 | 0.630268036021::[Isoquercitrin]::464.09548::C21H20O12::[[M+H]+]::TY000218 | 0.629320319716::[Isoquercitrin]::464.09548::C21H20O12::[ [M+H]+]::FIO00160 | 0.628953392993::[Rutin]::610.15338::C27H30O16::[ [M+H]+]::FIO00589 | 0.618103117363::[Quercetin-3-beta-O-galactoside]::464.09548::C21H20O12::[ [M+H]+]::PR020075 | 0.609833904994::[Quercetin-3-O-beta-glucopyranoside]::464.09548::C21H20O12::[ [M+H]+]::PR020078 | 0.591111986992::[Hesperidin]::610.18977::C28H34O15::[ [M+H]+]::FIO00483 | 0.571213973695::[Hirsutrin]::464.09548::C21H20O12::[[M+H]+]::TY000168 | 0.526179514801::[Hesperidin]::610.18977::C28H34O15::[ [M+H]+]::FIO00484
503.0443595	503.0398865	503.0495605	274.034	270.671	278.744	2661.062625	2635.329938	919	62	1			1	NONE
519.0203434	519.0109863	519.03125	273.698	271.007	278.408	3261.486136	3233.291851	1105	74	1	[2][M]+		1	NONE
520.0216826	520.0151978	520.031189	274.371	271.007	278.072	767.3935714	756.3133696	303	20	1	[2][M+1]+		1	NONE
611.1574452	611.1509399	611.159729	273.362	270.334	278.072	52749.60957	52698.08698	21130	1529	1	[6][M]+	[M+H]+ 610.147	1	0.722183932245::[Rutin]::610.15338::C27H30O16::[[M+H]+]::TY000246 | 0.718240688151::[Rutin ]::610.15338::C27H30O16::[ [M+H]+]::PB006201 | 0.676089256465::[Rutin]::610.15338::C27H30O16::[ [M+H]+]::FIO00588 | 0.628953392993::[Rutin]::610.15338::C27H30O16::[ [M+H]+]::FIO00589 | 0.593021369395::[Quercetin-3-O-rutinoside]::610.15338::C27H30O16::[ [M+H]+]::PR020080 | 0.591111986992::[Hesperidin]::610.18977::C28H34O15::[ [M+H]+]::FIO00483 | 0.585927069664::[Hesperetin-7-O-neohesperidoside]::610.18977::C28H34O15::[ [M+H]+]::PR020045 | 0.503808010925::[Hesperetin-7-O-rutinoside]::610.18977::C28H34O15::[ [M+H]+]::PR020046
612.1618463	612.1569824	612.166626	273.362	270.671	277.735	16140.56724	16129.11427	6402	867	1	[6][M+1]+		1	0.722183932245::[Rutin]::610.15338::C27H30O16::[[M+H]+]::TY000246 | 0.718240688151::[Rutin ]::610.15338::C27H30O16::[ [M+H]+]::PB006201 | 0.676089256465::[Rutin]::610.15338::C27H30O16::[ [M+H]+]::FIO00588 | 0.593021369395::[Quercetin-3-O-rutinoside]::610.15338::C27H30O16::[ [M+H]+]::PR020080 | 0.591111986992::[Hesperidin]::610.18977::C28H34O15::[ [M+H]+]::FIO00483 | 0.585927069664::[Hesperetin-7-O-neohesperidoside]::610.18977::C28H34O15::[ [M+H]+]::PR020045 | 0.503808010925::[Hesperetin-7-O-rutinoside]::610.18977::C28H34O15::[ [M+H]+]::PR020046
613.1621027	613.1480713	613.1749268	273.698	271.007	278.072	3880.703571	3874.311429	1483	291	1	[6][M+2]+		1	0.722183932245::[Rutin]::610.15338::C27H30O16::[[M+H]+]::TY000246 | 0.718240688151::[Rutin ]::610.15338::C27H30O16::[ [M+H]+]::PB006201 | 0.676089256465::[Rutin]::610.15338::C27H30O16::[ [M+H]+]::FIO00588 | 0.593021369395::[Quercetin-3-O-rutinoside]::610.15338::C27H30O16::[ [M+H]+]::PR020080 | 0.591111986992::[Hesperidin]::610.18977::C28H34O15::[ [M+H]+]::FIO00483 | 0.585927069664::[Hesperetin-7-O-neohesperidoside]::610.18977::C28H34O15::[ [M+H]+]::PR020045 | 0.503808010925::[Hesperetin-7-O-rutinoside]::610.18977::C28H34O15::[ [M+H]+]::PR020046
630.6266888	630.6172485	630.6311646	273.698	271.007	278.072	17110.08429	17103.35571	6626	1590	1	[4][M]2+		1	NONE
631.1270815	631.1121216	631.1309814	274.034	270.671	278.072	7219.6755	7213.283727	2839	876	1	[4][M+1]2+		1	NONE
633.1395015	633.1376953	633.1422119	273.698	270.334	278.408	78153.96508	77951.91484	23827	744	1	[9][M]+	[M+Na]+ 610.147	1	0.722183932245::[Rutin]::610.15338::C27H30O16::[[M+H]+]::TY000246
634.1424296	634.1401978	634.1456909	273.698	270.334	278.408	23879.52783	23851.69336	7234	695	1	[9][M+1]+		1	NONE
635.1427623	635.1370239	635.1464844	273.698	270.334	278.408	7234.640417	7226.23	2120	2119	1	[9][M+2]+		1	NONE
636.1507892	636.1391602	636.1651001	274.371	271.007	278.744	1583.057478	1561.299402	636	47	1	[9][M+3]+		1	NONE
649.1057016	649.1015625	649.1113892	273.362	270.671	277.735	5106.935619	5097.414576	1555	240	1	[3][M]2+	[2M+2K]2+ 610.147	1	NONE
649.6002579	649.5925293	649.6157227	273.698	271.343	277.735	972.9296842	967.2105263	351	77	1	[3][M+1]2+		1	NONE
650.1081035	650.0990601	650.1168213	273.698	271.007	279.417	1549.122	1535.345619	602	64	1	[3][M+2]2+		1	NONE
655.1225036	655.1105957	655.1422119	273.362	270.671	277.399	1257.1268	1250.7352	412	86	1		[M+2Na-H]+ 610.147	1	NONE
717.0893975	717.0775146	717.1069946	273.698	273.362	278.408	453.1308	447.1303628	171	26	1		[M+K+NaCOOH]+ 610.147	1	NONE
135.0459028	135.0454712	135.0463409	280.426	276.725	285.476	97555.81142	97424.69475	30037	822	1	[14][M]+	[M+H-H2O]+ 152.048	2	0.842444634941::[1-ETHYL-2,3-DIMETHYLBENZENE]::134.10955::C10H14::[MS]::JP012276 | 0.834834020699::[1,2-DIETHYLBENZENE]::134.10955::C10H14::[MS]::JP012273 | 0.825082890799::[1,3-DIETHYLBENZENE]::134.10955::C10H14::[MS]::JP012274 | 0.822346316415::[1-ETHYL-3,5-DIMETHYLBENZENE]::134.10955::C10H14::[MS]::JP012279 | 0.812855498092::[1,4-DIETHYLBENZENE]::134.10955::C10H14::[MS]::JP012275 | 0.809347489341::[1-ETHYL-3,4-DIMETHYLBENZENE]::134.10955::C10H14::[MS]::JP012277 | 0.793494288532::[2-METHYL-1-PROPYLBENZENE]::134.10955::C10H14::[MS]::JP012267 | 0.771842678731::[3-METHYL-1-PROPYLBENZENE]::134.10955::C10H14::[MS]::JP012268 | 0.766089270107::[4-METHYL-1-PROPYLBENZENE]::134.10955::C10H14::[MS]::JP012269 | 0.721608041747::[BUTYLBENZENE]::134.10955::C10H14::[MS]::JP012263 | 0.502725943227::[5-METHYL-1,3-DIISOPROPYLBENZENE]::176.15650::C13H20::[MS]::JP012297
136.0490744	136.0469818	136.0510406	280.426	277.061	284.126	9243.038571	9236.31	2771	477	1	[14][M+1]+		2	0.842444634941::[1-ETHYL-2,3-DIMETHYLBENZENE]::134.10955::C10H14::[MS]::JP012276 | 0.834834020699::[1,2-DIETHYLBENZENE]::134.10955::C10H14::[MS]::JP012273 | 0.825082890799::[1,3-DIETHYLBENZENE]::134.10955::C10H14::[MS]::JP012274 | 0.822346316415::[1-ETHYL-3,5-DIMETHYLBENZENE]::134.10955::C10H14::[MS]::JP012279 | 0.812855498092::[1,4-DIETHYLBENZENE]::134.10955::C10H14::[MS]::JP012275 | 0.809347489341::[1-ETHYL-3,4-DIMETHYLBENZENE]::134.10955::C10H14::[MS]::JP012277 | 0.793494288532::[2-METHYL-1-PROPYLBENZENE]::134.10955::C10H14::[MS]::JP012267 | 0.771842678731::[3-METHYL-1-PROPYLBENZENE]::134.10955::C10H14::[MS]::JP012268 | 0.766089270107::[4-METHYL-1-PROPYLBENZENE]::134.10955::C10H14::[MS]::JP012269 | 0.721608041747::[BUTYLBENZENE]::134.10955::C10H14::[MS]::JP012263 | 0.502725943227::[5-METHYL-1,3-DIISOPROPYLBENZENE]::176.15650::C13H20::[MS]::JP012297
153.0565924	153.0544586	153.0579376	280.426	276.725	282.78	4206.543056	4165.861024	1470	39	1		[M+H]+ 152.048	2	NONE
175.0362187	175.0328674	175.0382385	280.426	278.072	283.789	7465.729412	7459.72416	2930	310	1	[13][M]+	[M+Na]+ 152.048	2	0.842444634941::[1-ETHYL-2,3-DIMETHYLBENZENE]::134.10955::C10H14::[MS]::JP012276 | 0.834834020699::[1,2-DIETHYLBENZENE]::134.10955::C10H14::[MS]::JP012273 | 0.825082890799::[1,3-DIETHYLBENZENE]::134.10955::C10H14::[MS]::JP012274 | 0.822346316415::[1-ETHYL-3,5-DIMETHYLBENZENE]::134.10955::C10H14::[MS]::JP012279 | 0.812855498092::[1,4-DIETHYLBENZENE]::134.10955::C10H14::[MS]::JP012275 | 0.809347489341::[1-ETHYL-3,4-DIMETHYLBENZENE]::134.10955::C10H14::[MS]::JP012277 | 0.793494288532::[2-METHYL-1-PROPYLBENZENE]::134.10955::C10H14::[MS]::JP012267 | 0.771842678731::[3-METHYL-1-PROPYLBENZENE]::134.10955::C10H14::[MS]::JP012268 | 0.766089270107::[4-METHYL-1-PROPYLBENZENE]::134.10955::C10H14::[MS]::JP012269 | 0.721608041747::[BUTYLBENZENE]::134.10955::C10H14::[MS]::JP012263 | 0.502725943227::[5-METHYL-1,3-DIISOPROPYLBENZENE]::176.15650::C13H20::[MS]::JP012297
176.0376081	176.0342712	176.0409698	280.089	275.716	281.098	410.713875	408.695625	320	108	1	[13][M+1]+		2	0.834834020699::[1,2-DIETHYLBENZENE]::134.10955::C10H14::[MS]::JP012273 | 0.771842678731::[3-METHYL-1-PROPYLBENZENE]::134.10955::C10H14::[MS]::JP012268 | 0.721608041747::[BUTYLBENZENE]::134.10955::C10H14::[MS]::JP012263 | 0.502725943227::[5-METHYL-1,3-DIISOPROPYLBENZENE]::176.15650::C13H20::[MS]::JP012297
197.0192355	197.0154266	197.0233002	280.762	277.735	284.126	963.0227895	952.3813158	394	30	1		[M+2Na-H]+ 152.048	2	NONE
403.0711753	403.0660706	403.0734253	279.753	278.408	282.78	399.5335385	396.1704615	260	26	1			2	NONE
117.0358602	117.033165	117.0389862	278.072	275.38	281.098	994.5956471	970.9683282	507	24	1			3	NONE
145.0301952	145.0294189	145.0324097	278.072	274.707	282.107	20533.65455	20181.26777	7200	53	1	[12][M]+		3	0.526245917512::[trans-4-Hydroxy-3-methoxycinnamate]::194.05791::C10H10O4::[ [M+H]+]::PR100005
146.0338015	146.0315704	146.0370331	278.072	276.052	281.098	2337.98	2333.2704	849	848	1	[12][M+1]+		3	NONE
149.0608613	149.0575104	149.0633545	278.072	275.043	281.098	3561.349167	3549.48464	1285	90	1		[M+H-C2H2O2]+ 194.055 [M+H-NO2]+ 194.055	3	0.526245917512::[trans-4-Hydroxy-3-methoxycinnamate]::194.05791::C10H10O4::[ [M+H]+]::PR100005
163.0397626	163.0365295	163.042099	277.735	276.052	279.417	718.091	709.4482632	368	25	1		[M+H-CH4O]+ 194.055	3	NONE
177.0539492	177.0531006	177.05513	278.072	274.034	282.444	31098.8344	30490.44511	11319	57	1	[11][M]+	[M+H-H2O]+ 194.055	3	0.526245917512::[trans-4-Hydroxy-3-methoxycinnamate]::194.05791::C10H10O4::[ [M+H]+]::PR100005
178.0578014	178.0528107	178.0614929	278.072	275.043	282.78	3510.916043	3464.439494	1316	54	1	[11][M+1]+		3	NONE
195.0644538	195.0613861	195.0670013	278.072	275.716	280.762	1925.5536	1901.981571	858	35	1		[M+H]+ 194.055	3	0.526245917512::[trans-4-Hydroxy-3-methoxycinnamate]::194.05791::C10H10O4::[ [M+H]+]::PR100005
196.0700972	196.0676727	196.0720062	278.072	277.061	281.435	279.2630769	271.3225846	204	13	1		[M+K]+ 157.103	3	NONE
217.047301	217.044632	217.0532379	277.735	275.38	279.417	1703.950417	1700.249833	886	885	1		[M+Na]+ 194.055	3	NONE
233.0121036	233.0091858	233.0163269	278.072	274.707	282.107	3540.9	3531.509848	1481	132	1		[M+K]+ 194.055	3	NONE
251.0221026	251.0169678	251.0265961	278.072	273.698	281.435	3523.02613	3499.142348	1254	70	1		[M+Na+K]2+ 440.098	3	NONE
269.0328959	269.0281982	269.0385742	278.072	276.052	281.771	2372.712176	2351.730706	1008	67	1		[M+H-CH4O]+ 300.045	3	NONE
279.0200882	279.0171509	279.0247803	278.408	275.043	280.762	740.7787059	734.4572941	454	41	1		[M+K+HCOOH]+ 194.055	3	NONE
297.0306054	297.0255432	297.038147	278.072	275.38	280.426	1108.1016	1103.392	385	384	1			3	NONE
301.0504305	301.0436401	301.0579834	277.735	274.371	281.435	486.0704762	468.779315	240	12	1		[M+H]+ 300.045 [M+H-C7H6O2]+ 422.084	3	NONE
308.0261572	308.0209351	308.034668	278.072	275.716	282.444	751.5176	741.6344	323	27	1			3	NONE
315.0378642	315.0346375	315.0412598	277.735	276.389	279.753	570.8708	568.516	324	323	1		[M+H-H14O7]+ 440.098	3	NONE
371.2623675	371.2585754	371.2679749	277.399	275.38	279.417	1014.632667	1010.932083	456	455	1		[M+H-C3H4]+ 410.275	3	NONE
422.0847921	422.0766602	422.0930786	277.399	275.716	279.081	817.022	813.9935	617	129	1			3	NONE
425.0339018	425.0305176	425.0410461	277.735	276.052	279.417	398.7525	388.7106316	267	13	1			3	NONE
427.0703433	427.0647888	427.0771484	278.072	274.707	282.107	1897.090909	1889.026807	1024	98	1	[7][M]+	[2M+K]+ 194.055	3	NONE
428.071429	428.0612793	428.0791016	278.072	273.362	280.762	553.6545455	544.381348	310	27	1	[7][M+1]+		3	NONE
443.0411698	443.0319519	443.0491333	278.072	273.362	280.089	842.8931	834.6301017	384	31	1			3	NONE
445.074958	445.0639954	445.0813599	277.735	274.707	281.098	1661.996368	1649.526711	758	53	1	[5][M]+	[M+Na]+ 422.084	3	NONE
446.0817674	446.0753784	446.0857849	277.735	276.725	280.426	352.6043636	348.2589676	238	23	1	[5][M+1]+		3	NONE
449.2321066	449.2252808	449.2385864	277.735	275.716	282.107	1741.715684	1720.915388	631	37	1		[M+K]+ 410.275	3	NONE
463.0878154	463.078186	463.0952759	278.072	274.707	283.116	819.0366	814.7170295	408	71	1		[M+Na]+ 440.098	3	NONE
472.296343	472.2885132	472.3045959	277.399	275.716	280.089	369.0139231	363.6954096	249	23	1		[3M+H]+ 157.103	3	NONE
480.3076532	480.2977295	480.315033	277.399	276.052	280.762	412.125	404.4284586	208	19	1			3	NONE
607.1399722	607.1333618	607.1530151	278.072	274.034	282.107	284.236875	281.321625	211	34	1			3	NONE
621.1283748	621.1159668	621.1455688	278.072	276.389	279.753	434.6288	431.6012	258	43	1		[3M+K]+ 194.055	3	NONE
21.1283748	21.1159668	21.1455688	78.072	76.389	79.753	34.6288	31.6012	258	43	1		[X]+ 94.055	4	NONE