ピーク情報

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pos

Peak #4749 MN MID: SE199_S31_M90

m/z: 481.20714, RT: 50.33, 強度: 54866, ログ強度: 1.19, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (18 names) Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate;(-)-EI 1941-1;EI 1941-1;3-carboxy-4-methyl-5-propyl-2-furanpropanoic acid;3-(5-(3-carboxypropyl)-3-methyl-furan-2-yl)-propionic acid;5-(5-(2-carbo...

DBごとのヒット数: ALL 15 KG 1 KN 5 HM 5 LM 4

FlavonoidSearch最大スコア MS2: -, MS3: 0.125

組成式	分子量	誤差(Δppm）	候補化合物名（代表で最短名を記載）	化合物ID
C12H16O5	240.09977	0.668	Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate	HMDB: HMDB0041756
C12H16O5	240.09977	0.668	(-)-EI 1941-1	KNApSAcK: C00014924
C12H16O5	240.09977	0.668	3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid	HMDB: HMDB0061112 LipidMAPS: LMFA01150004
C12H16O5	240.09977	0.668	3-(5-(3-carboxypropyl)-3-methyl-furan-2-yl)-propionic acid	LipidMAPS: LMFA01150049
C12H16O5	240.09977	0.668	5-(5-(2-carboxyethyl)furan-2-yl)pentanoic acid	LipidMAPS: LMFA01150056
C12H16O5	240.09977	0.668	Ethyl 3,4,5-trimethoxybenzoate	HMDB: HMDB0038627
C12H16O5	240.09977	0.668	3-(3,4,5-Trimethoxyphenyl)propanoic acid	HMDB: HMDB0030254
C12H16O5	240.09977	0.668	3-(5-(2-carboxyethyl)-3,4-dimethyl-furan-2-yl)-propionic acid	LipidMAPS: LMFA01150050
C12H16O5	240.09977	0.668	(-)-EI 1941-3	KNApSAcK: C00014941
C12H16O5	240.09977	0.668	(-)-Cycloepoxydon	KNApSAcK: C00016050
C12H16O5	240.09977	0.668	Polygonophenone	KNApSAcK: C00047336
C12H16O5	240.09977	0.668	Pyrenocine E	KNApSAcK: C00016043
C13H12ON4	240.10111	-4.902	2-Hydroxyamino-1-methyl-6-phenylimidazo[4,5-b]pyridine	HMDB: HMDB0255150 KEGG: C20286
C13H12ON4	240.10111	-4.902	4-(2-Amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol	HMDB: HMDB0244493
C13H12ON4	240.10111	-4.902	Imazodan	HMDB: HMDB0253407

MSnスペクトル情報

Level: 2, プリカーサーm/z: 481.20685

Splash: splash10-0006-0090000000-30fbc6d7ef40f85a437f

m/z	Int.	NL	Rel.Int.
241.07	12215	240	1000

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavone]-A(2OH, 1(C-Glu))-B(4OH)	Flavone	Telephioidin

Level: 3, プリカーサーm/z: 241.08121

Splash: splash10-03y0-0900000000-5509574ef5e84e206f59

m/z	Int.	NL	Rel.Int.
162.96	212	78	1000
167.01	91	74	427
135.03	86	106	404
180.98	59	60	278
177.06	55	64	258
153.05	50	88	234
94.86	47	146	222
116.92	33	124	154
138.99	23	102	109
140.99	21	100	99
144.91	19	96	91
100.87	16	140	75
209.11	15	32	71
223.10	14	18	66

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.125	[Flavanone]-A(1OH)-B(none)	Flavanone	7-Hydroxyflavanone
0.100	[Chalcone]-A(none)-B(2OH)	Chalcone	3,4-Dihydroxychalcone
0.083	[2'-Hydroxychalcone]-A(2OH)-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxychalcone
0.040	[2'-Hydroxychalcone]-A(1OH)-B(1OH)	2'-Hydroxychalcone	2,2'-Dihydroxychalcone
0.040	[2'-Hydroxychalcone]-A(1OH)-B(1OH)	2'-Hydroxychalcone	4,2'-Dihydroxychalcone
0.000	[Chalcone]-A(1OH)-B(1OH)	Chalcone	3,3'-Dihydroxychalcone
0.000	[Chalcone]-A(1OH)-B(1OH)	Chalcone	4,4'-Dihydroxychalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	2',beta-Dihydroxychalcone

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果