ピーク情報

＜茶類＞（発酵茶類）紅茶茶

pos

Peak #838 MN MID: SE120_S160431_M90

m/z: 307.08312, RT: 12.97, 強度: 46594, ログ強度: 1.12, アダクト: [M+2H]2+, 共有数（同様のピークを含むサンプル数）: 115

DB検索結果: Oxidized glutathione

DBごとのヒット数: ALL 1 KG 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.040

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
C20H32O12N6S2	612.15196	-0.451	Glutathione disulfide	HMDB: HMDB0003337 KEGG: C00127

MSnスペクトル情報

Level: 2, プリカーサーm/z: 307.08246

Splash: splash10-056s-0394300000-4407ca1bc80f667eeadd

m/z	Int.	NL	Rel.Int.
298.70	121178	8	1000
129.93	114043	177	941
355.12	110372	-48	910
484.16	69836	-177	576
275.66	61138	31	504
269.66	41965	37	346
242.69	40088	64	330
356.13	15488	-49	127
409.29	14142	-102	116
538.23	13063	-231	107
357.21	9458	-50	78
485.30	8910	-178	73

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavan 3-ol]-A(2OH)-B(3OH)	Flavan 3-ol	Gallocatechin
[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Isolonchocarpin
[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Lonchocarpin
[Aurone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Aurone	3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone
[Flavan 3,4-diol]-A(1OH)-B(3OH)	Flavan 3,4-diol	3,4,7,3',4',5'-Hexahydroxyflavan
[Flavan 3,4-diol]-A(2OH)-B(2OH)	Flavan 3,4-diol	3,4,7,8,3',4'-Hexahydroxyflavan
[Flavan 3,4-diol]-A(2OH)-B(2OH)	Flavan 3,4-diol	Catechin-4-ol
[Pterocarpene]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpene	Neoduleen

Level: 3, プリカーサーm/z: 129.93076

Splash: splash10-001i-9000000000-343b2285b522a7d8c065

m/z	Int.	NL	Rel.Int.
83.83	26196	46	1000

Level: 3, プリカーサーm/z: 298.70261

Splash: splash10-05mo-0090000000-aa794415dc4fa4f2b55d

m/z	Int.	NL	Rel.Int.
290.09	14287	9	1000
266.99	10777	32	754
257.12	7062	42	494
260.97	3351	38	234
129.94	3054	169	213
265.13	2602	34	182
290.71	2074	8	145
258.20	1526	41	106
267.69	1305	31	91
381.12	844	-82	59

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.040	[Flavonol]-A(2OMe)-B(none)	Flavonol	Galangin 5,7-dimethyl ether
0.038	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	8-O-Methylretusin
0.034	[Isoflavone]-A(1OH)-B(2OMe)	Isoflavone	Cladrin
0.034	[Isoflavone]-A(1OH, 1OMe)-B(1OMe)	Isoflavone	Afrormosin
0.034	[Isoflavone]-A(1OH, 1OMe)-B(1OMe)	Isoflavone	Alfalone
0.034	[Isoflavone]-A(1OH, 1OMe)-B(1OMe)	Isoflavone	5-O-Methylbiochanin A
0.034	[Isoflavone]-A(1OMe)-B(1OH, 1OMe)	Isoflavone	Sayanedine
0.000	[Flavone]-A(1OH)-B(2OMe)	Flavone	7-Hydroxy-3',4'-dimethoxyflavone
0.000	[Flavone]-A(1OMe)-B(1OH, 1OMe)	Flavone	Tithonine
0.000	[Flavone]-A(1OH, 1OMe)-B(1OMe)	Flavone	5-Hydroxy-6,2'-dimethoxyflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(1OMe)	Flavone	5-Hydroxy-7,2'-dimethoxyflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(1OMe)	Flavone	Apigenin 5,4'-dimethyl ether
0.000	[Flavone]-A(2OMe)-B(1OH)	Flavone	Apigenin 5,7-dimethyl ether
0.000	[Flavone]-A(1OH, 1OMe)-B(1OMe)	Flavone	Apigenin 7,4'-dimethyl ether
0.000	[Flavone]-A(1OH, 2OMe)-B(none)	Flavone	Baicalein 5,6-dimethyl ether
0.000	[Flavone]-A(1OH, 2OMe)-B(none)	Flavone	Mosloflavone
0.000	[Flavone]-A(1OH, 2OMe)-B(none)	Flavone	Norwogonin 5,8-dimethyl ether
0.000	[Flavone]-A(1OH, 2OMe)-B(none)	Flavone	Moslosooflavone
0.000	[Coumestan]-A(1OH)-B(1OH, 1OMe)	Coumestan	8-Methoxycoumestrol
0.000	[Coumestan]-A(1OH)-B(1OH, 1OMe)	Coumestan	Trifoliol
0.000	[Coumestan]-A(1OH, 1OMe)-B(1OH)	Coumestan	Sativol
0.000	[Chalcone]-A(1OH, 1OMe, 1Formyl)-B(1OH)	Chalcone	Isoneobavachalcone
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1Formyl)-B(1OH)	2'-Hydroxychalcone	Neobavachalcone
0.000	[2'-Hydroxychalcone]-A(1OH, 2OMe, 1Methyl)-B(none)	2'-Hydroxychalcone	Aurentiacin
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 2Methyl)-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-6'-methoxy-3',5'-dimethylchalcone
0.000	[UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone]-A(1OH, 1OMe, 2Methyl)-B(none)	UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone	Ceroptene
0.000	[UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone]-A(1Methoxycarbonylmethyl)-B(none)	UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone	Infectocaryone
0.000	[Flavanone]-A(1OMe, 1Methyl)-B(1OMe)	Flavanone	7,4'-Dimethoxy-6-C-methylflavanone
0.000	[Flavanone]-A(2OMe, 1Methyl)-B(none)	Flavanone	5,7-Dimethoxy-6-C-methylflavanone
0.000	[Flavanone]-A(1OH, 1OMe, 2Methyl)-B(none)	Flavanone	5-Hydroxy-7-methoxy-6,8-di-C-methylflavanone
0.000	[Flavanone]-A(1OH, 1OMe, 2Methyl)-B(none)	Flavanone	6,8-Di-C-methylpinocembrin 5-methyl ether
0.000	[Flavanone]-A(2OH, 1Formyl, 1Methyl)-B(none)	Flavanone	Lawinal
0.000	[Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OH)	Flavone	8-Demethylsideroxylin
0.000	[Flavone]-A(2OH, 2Methyl)-B(1OH)	Flavone	Syzalterin
0.000	[Flavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH)	Flavone	Kanzakiflavone 2
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(none)	Flavonol	Galangin 3,7-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(none)	Flavonol	5,7-Dihydroxy-3-methoxy-8-methylflavone
0.000	[Flavonol]-A(1OH, 1OMe, 1Methyl)-B(none)	Flavonol	3,5-Dihydroxy-7-methoxy-8-methylflavone
0.000	[Flavonol]-A(2OH, 2Methyl)-B(none)	Flavonol	6,8-Dimethylgalangin
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavone	Peltogynin
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavone	Mopanin
0.000	[3-DehydroxyAnthocyanidin]-A(2OH, 1OMe)-B(1OMe)	3-DehydroxyAnthocyanidin	Carajurin
0.000	[Isoflavone]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy))	Isoflavone	2-Hydroxypseudobaptigenin
0.000	[Isoflavone]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy))	Isoflavone	Glyzaglabrin
0.000	[Isoflavone]-A(2OH)-B(1([@@]-Methylenedioxy))	Isoflavone	5-Hydroxypseudobaptigenin
0.000	[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH)	Isoflavone	Irisone B
0.000	[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH)	Isoflavone	Irilone
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavone]-A(1OH)-B(1OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavone	Bowdichione
0.000	[Pterocarpan]-A(1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan	Pterocarpin
0.000	[3-Phenylcoumarin]-A(1OH)-B(1OH, 1([@@]-Methylenedioxy))	3-Phenylcoumarin	7,2'-Dihydroxy-4',5'-methylenedioxy-3-phenylcoumarin
0.000	[4-phenylcoumarin]-A(1OH, 2OMe)-B(none)	4-phenylcoumarin	Kuhlmannin
0.000	[4-phenylcoumarin]-A(2OMe)-B(1OH)	4-phenylcoumarin	4'-Hydroxy-5,7-dimethoxy-4-phenylcoumarin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(1OMe)	4-phenylcoumarin	5-Hydroxy-7,4'-dimethoxy-4-phenylcoumarin
0.000	[CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin]-A(1OMe)-B(2OH)	CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin	4',5'-Dihydroxy-7-methoxy-5,2'-oxido-4-phenylcoumarin