ピーク情報

イチョウ　葉

pos

Peak #1046 MN MID: SE205_S01_M90

m/z: 385.13401, RT: 12.60, 強度: 38263, ログ強度: 1.04, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (7 names) Isopropyl tartaric acid;L-quinate;Valiolone;2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone;5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone;D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone;6,8-Bis...

DBごとのヒット数: ALL 5 KG 3 HM 2

FlavonoidSearch最大スコア MS2: -, 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
C7H12O6	192.06339	-0.114	Isopropyl tartaric acid	HMDB: HMDB0302348
C7H12O6	192.06339	-0.114	Quinate	HMDB: HMDB0003072, [-1]HMDB0304404 KEGG: C00296 KNApSAcK: C00001201, C00034185
C7H12O6	192.06339	-0.114	Valiolone	KEGG: C12113, C17694, C17691, C21282
C7H12O6	192.06339	-0.114	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone	KEGG: C01295
C8H16OS2	192.06426	-4.639	6,8-Bis(sulfanyl)octanal	HMDB: HMDB0258126

MSnスペクトル情報

Level: 2, プリカーサーm/z: 385.13373

Splash: splash10-0006-0900000000-4241b5619de22ee1aba8

m/z	Int.	NL	Rel.Int.
192.98	5755	192	1000
146.92	532	238	92
156.90	413	228	71

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl))	Isoflavone	Piscerythrone
[Isoflavone]-A(2OH)-B(2OH, 1OMe, 1(C-Prenyl))	Isoflavone	Piscidone
[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	Gancaonin P 3'-methyl ether
[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	8-Prenylquercetin 4'-methyl ether
[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Dihydroflavonol	Eriotrinol
[Dihydroflavonol]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Dihydroflavonol	3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
[Flavanone]-A(2OH)-B(2OMe, 1(C-Prenyl))	Flavanone	5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone
[CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone]-A(1OH, 1OMe)-B(1OH)	CCS-type derivative / [2',3]-(Epoxy-1-hydroxyisopropanylethano)flavone	Oxyisocyclointegrin
[Flavonol (3-OMe)]-A(2OH)-B(2OH, 1(C-Prenyl))	Flavonol	Uralene
[Flavonol (3-OMe)]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavonol	5,7,3',4'-Tetrahydroxy-3-methoxy-6-prenylflavone
[Flavonol (3-OMe)]-A(2OH)-B(2OH, 1(C-Prenyl))	Flavonol	5,7,3',4'-Tetrahydroxy-3-methoxy-5'-prenylflavone
[Flavonol]-A(1OH, 1([2,3:@@]-(4,6,6-Dimethyldihydropyrano)))-B(2OH)	Flavonol	4'',5''-Dihydro-3,5,3',4'-tetrahydroxy-4'',6'',6''-trimethylpyrano[2,3:7,8]flavone
[Isoflavone]-A(2OH, Hydroxyprenyl)-B(1OH, 1OMe)	Isoflavone	Gancaonin D
[Isoflavanone]-A(1OH, 1OMe)-B(1OH, 1OMe, 1(1,1-Dimethylallyl))	Isoflavanone	Echinoisosophoranone
[Isoflavanone-3-ol]-A(2OH)-B(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavanone-3-ol	Sophoronol
[Coumestan]-A(1OH)-B(1OH, 1OMe, 1(3-hydroxy-3-methylbutyl))	Coumestan	Mirificoumestan hydrate
[3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6-Hydroxymethyl-6-methyldihydropyrano)))-B(2OH)	3-Phenylcoumarin	Licopyranocoumarin

Level: 3, プリカーサーm/z: 193.01758

Splash: splash10-052b-0900000000-5331a87f23dfe152223e

m/z	Int.	NL	Rel.Int.
146.94	1188	46	1000
156.94	852	36	716
175.08	184	18	154
164.76	174	28	146

関連ピーク情報

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
1046	12.60	385.13401	0.0000	1.04	[2M+H]+	(7 names) Isopropyl tartaric acid; L-quinate; Valiolone; 2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone; 5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone; D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone; 6,8-Bis...	ALL 5 KG 3 HM 2	MS2 MS3			4
	12.72	367.12335	-18.0107	0.59	[2M-H2O+H]+, [M+H]+	(7 names) Isopropyl tartaric acid; L-quinate; Valiolone; 2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone; 5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone; D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone; 6,8-Bis...	ALL 5 KG 3 HM 2	MS2 MS3	0.111	0.077	1
	12.55	349.11275	-36.0213	0.49	[2M-2(H2O)+H]+	(7 names) Isopropyl tartaric acid; L-quinate; Valiolone; 2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone; 5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone; D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone; 6,8-Bis...	ALL 5 KG 3 HM 2				1