ピーク情報

イネ　玄米　コシヒカリ

pos

Peak #3437 MN MID: SE199_S11_M90

m/z: 387.12867, RT: 47.20, 強度: 18922, ログ強度: 0.85, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4

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: 0.071, 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	0.258	3,4-Dihydroxyphenylvaleric acid 4 glucuronide	HMDB: HMDB0240446
C17H22O10	386.12130	0.258	3,5-Dihydroxyphenylvaleric acid glucuronide	HMDB: HMDB0240451
C17H22O10	386.12130	0.258	1-O-Sinapoyl-beta-D-glucose	HMDB: HMDB0041175, HMDB0302379 KEGG: C01175 KNApSAcK: C00013592
C17H22O10	386.12130	0.258	3'-O-beta-Glucopyranosyl plumbagic acid	KNApSAcK: C00036560
C17H22O10	386.12130	0.258	3,4-Dihydroxyphenylvaleric acid 3 glucuronide	HMDB: HMDB0240445
C17H22O10	386.12130	0.258	Hedyotoside	KNApSAcK: C00049175
C17H22O10	386.12130	0.258	4-O-beta-D-Glucosyl-sinapate	HMDB: HMDB0303764 KEGG: C02919 KNApSAcK: C00011172
C28H19P	386.12244	-2.699	Diphenyl-1-pyrenylphosphine	HMDB: HMDB0251454
C22H18ON4S	386.12013	3.274	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: 387.12842

Splash: splash10-0a4i-0092000000-57737d52d7849da1e33f

m/z	Int.	NL	Rel.Int.
207.01	1153	180	1000
369.15	350	18	304
225.06	101	162	87

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.071	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Dihydroflavonol	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
0.059	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kushenol V
0.059	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kushenol W
0.059	[Flavanone]-A(2OH, 1(C-Prenyl))-B(2OH, 1OMe)	Flavanone	Kenusanone D
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: 207.09195

Splash: splash10-004i-0900000000-1875a5086c9fe5fe6f7d

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS2	FS3	共有数
3437	47.20	387.12867	0.0000	0.85	[M+H]+	(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...	ALL 9 KG 2 KN 2 HM 5	MS2 MS3	0.071		4
	47.22	369.11792	-18.0108	2.19	[M-H2O+H]+	(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...	ALL 9 KG 2 KN 2 HM 5	MS2 MS3	0.053		5

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MSnスペクトル情報

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