ピーク情報

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Peak #2631 MN MID: SE199_S41_M90

m/z: 387.12865, RT: 39.58, 強度: 13302, ログ強度: 0.53, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (9 names) 3,4-Dihydroxyphenylvaleric acid 4 glucuronide;3,5-Dihydroxyphenylvaleric acid glucuronide;1-O-Sinapoylglucose;3'-O-beta-Glucopyranosyl plumbagic acid;3,4-Dihydroxyphenylvaleric acid 3 glucuronide;Hedy...

DBごとのヒット数: ALL 9 KG 2 KN 2 HM 5

FlavonoidSearch最大スコア MS2: 0.095, MS3: -

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
C17H22O10	386.12130	0.202	3,4-Dihydroxyphenylvaleric acid 4 glucuronide	HMDB: HMDB0240446
C17H22O10	386.12130	0.202	3,5-Dihydroxyphenylvaleric acid glucuronide	HMDB: HMDB0240451
C17H22O10	386.12130	0.202	1-O-Sinapoyl-beta-D-glucose	HMDB: HMDB0041175, HMDB0302379 KEGG: C01175 KNApSAcK: C00013592
C17H22O10	386.12130	0.202	3'-O-beta-Glucopyranosyl plumbagic acid	KNApSAcK: C00036560
C17H22O10	386.12130	0.202	3,4-Dihydroxyphenylvaleric acid 3 glucuronide	HMDB: HMDB0240445
C17H22O10	386.12130	0.202	Hedyotoside	KNApSAcK: C00049175
C17H22O10	386.12130	0.202	4-O-beta-D-Glucosyl-sinapate	HMDB: HMDB0303764 KEGG: C02919 KNApSAcK: C00011172
C28H19P	386.12244	-2.755	Diphenyl-1-pyrenylphosphine	HMDB: HMDB0251454
C22H18ON4S	386.12013	3.218	N-Methyl-2-[[3-[2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]thio]benzamide	HMDB: HMDB0243646

MSnスペクトル情報

Level: 2, プリカーサーm/z: 387.12881

Splash: splash10-0aor-0195000000-61afe8ecb8ed8b772221

m/z	Int.	NL	Rel.Int.
207.01	1587	180	1000
369.03	861	18	542
167.07	256	220	161
355.22	148	32	93
224.93	122	162	77
357.08	116	30	72
233.06	92	154	58
211.12	82	176	51

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.095	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kushenol V
0.095	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kushenol W
0.095	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kenusanone D
0.053	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none)	2'-Hydroxychalcone	8-Cinnamoyl-3,4-dihydro-5,7-dihydroxy-4-phenylcoumarin
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(none)	Flavanone	Calomelanol J
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Methylbutadienyl))-B(none)	Flavone	Fulvinervin B
0.000	[Flavone]-A(3OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavone	5,6,7,3'-Tetramethoxy-4',5'-methylenedioxyflavone
0.000	[Flavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(3OMe)	Flavone	5,3',4',5'-Tetramethoxy-6,7-methylenedioxyflavone
0.000	[Flavone]-A(4OMe)-B(1([@@]-Methylenedioxy))	Flavone	Linderoflavone B
0.000	[Flavonol (3-OMe)]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH)	Flavonol	Topazolin hydrate
0.000	[Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OMe)	Flavonol	Icaritin
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Melisimplexin
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Meliternin
0.000	[Flavan 3,4-diol (3-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavan 3,4-diol	3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol
0.000	[Flavan 3,4-diol (4-OMe)]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavan 3,4-diol	4,5-Di-O-methyl-8-prenylafzelechin-4beta-ol
0.000	[Isoflavone]-A(1OH)-B(2OH, 1OMe, 1(3-hydroxy-3-methylbutyl))	Isoflavone	Kwakhurin hydrate
0.000	[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(3OMe)	Isoflavone	Irisflorentin
0.000	[Isoflavone]-A(4OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone
0.000	[Isoflavanone-3-ol]-A(1OH)-B(2OH, 1OMe, 1(1,1-Dimethylallyl))	Isoflavanone-3-ol	Secundifloran

Level: 3, プリカーサーm/z: 207.01523

Splash: splash10-004i-0900000000-8eeb995aa2fdf14bfd37