ピーク情報

パセリ　根

pos

Peak #1957 MN MID: SE61_S24_M90

m/z: 307.08306, RT: 20.94, 強度: 6162, ログ強度: 0.29, アダクト: [M+2H]2+, 共有数（同様のピークを含むサンプル数）: 3

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: 0.034, MS3: 0.158

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	-0.634	Glutathione disulfide	HMDB: HMDB0003337 KEGG: C00127

MSnスペクトル情報

Level: 2, プリカーサーm/z: 307.08298

Splash: splash10-056s-0394300000-1311f30cdf14eb7ea1e6

m/z	Int.	NL	Rel.Int.
355.13	9030	-48	1000
298.69	8659	8	958
129.97	7824	177	866
484.22	5124	-177	567
275.69	4508	31	499
269.69	3319	37	367
242.59	2397	64	265
538.29	1209	-231	133
409.13	1175	-102	130
485.29	1161	-178	128
356.23	915	-49	101
243.24	843	64	93
178.98	667	128	73
381.12	543	-74	60
131.12	456	176	50
357.25	455	-50	50
299.61	454	7	50

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: 298.61566

Splash: splash10-05mo-0190000000-d37dcce871e40df2261b

m/z	Int.	NL	Rel.Int.
290.08	1511	9	1000
267.06	975	32	645
257.14	927	41	613
129.94	572	169	378
265.10	274	34	181
261.01	261	38	172
467.20	135	-169	89
267.76	79	31	52

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.043	[Flavonol]-A(2OMe)-B(none)	Flavonol	Galangin 5,7-dimethyl ether
0.042	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	8-O-Methylretusin
0.037	[Isoflavone]-A(1OH)-B(2OMe)	Isoflavone	Cladrin
0.037	[Isoflavone]-A(1OH, 1OMe)-B(1OMe)	Isoflavone	Afrormosin
0.037	[Isoflavone]-A(1OH, 1OMe)-B(1OMe)	Isoflavone	Alfalone
0.037	[Isoflavone]-A(1OH, 1OMe)-B(1OMe)	Isoflavone	5-O-Methylbiochanin A
0.037	[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	[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

Level: 3, プリカーサーm/z: 355.11960

Splash: splash10-08g0-0391000000-5a1872919a4fbfcd360f

m/z	Int.	NL	Rel.Int.
211.09	1293	144	1000
209.04	1030	146	796
235.05	634	120	490
130.08	515	225	398
337.05	448	18	346
298.20	293	57	226
177.12	260	178	200
262.05	187	93	144
131.07	185	224	142
143.09	162	212	125
179.05	154	176	118
338.11	96	17	73

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.158	[Isoflavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavanone	Licoisoflavanone
0.091	[Dihydroflavonol]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	Dihydroflavonol	Leaserone
0.083	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Xanthohumol
0.083	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Xanthogalenol
0.080	[Flavanone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	Agrandol
0.080	[Flavanone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	Flavanone	Microfolione
0.080	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	5,4'-Dihydroxy-7-methoxy-6-C-prenylflavanone
0.080	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	Isoxanthohumol(Sophora)
0.080	[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavanone	Mundulea flavanone B
0.053	[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Dihydroflavonol	3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
0.048	[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sigmoidin C
0.048	[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sanggenon F
0.048	[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Sanggenon H
0.048	[Isoflavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavanone	Cyclokievitone
0.045	[Pterocarpan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Pterocarpan	1-Methoxyphaseollidin
0.038	[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OMe)	Flavanone	5,7-Dihydroxy-4'-methoxy-8-C-prenylflavanone
0.037	[Flavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavone	8-C-Prenylluteolin
0.037	[Flavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavone	6-C-Prenylluteolin
0.037	[Flavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Flavone	Artocarpesin
0.037	[Chalcone]-A(2OH)-B(1OH, 1OMe, 1(C-Prenyl))	Chalcone	Licoagrochalcone C
0.037	[Chalcone]-A(1OH, 1(C-Prenyl))-B(2OH, 1OMe)	Chalcone	Licochalcone D
0.036	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavone	5,7,3',4'-Tetrahydroxy-6-prenylisoflavone
0.036	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavone	Gancaonin L
0.036	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavone	Luteone (isoflavone)
0.036	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH)	Isoflavone	2,3-Dehydrokievitone
0.036	[Isoflavone]-A(2OH)-B(2OH, 1(C-Prenyl))	Isoflavone	Licoisoflavone A
0.030	[Flavonol]-A(3OH, 1(C-Prenyl))-B(none)	Flavonol	Platanetin
0.029	[Flavonol]-A(2OH)-B(1OH, 1(C-Prenyl))	Flavonol	Isolicoflavonol
0.029	[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavonol	6-Prenylkaempferol
0.029	[Flavonol]-A(2OH, 1(C-Prenyl))-B(1OH)	Flavonol	Noranhydroicaritin
0.000	[Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Pterocarpan	Edudiol
0.000	[2-Benzyl-2-hydroxydihydrobenzofuran (2,3-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	2-Benzyl-2-hydroxydihydrobenzofuran	Castillene C
0.000	[Chalcone]-A(1OH)-B(1OMe, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))	Chalcone	Licoagrochalcone D
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	2'-Hydroxychalcone	Xanthoangelol D
0.000	[2'-Hydroxychalcone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Xanthoangelol H
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Helichromanochalcone
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	2'-Methoxyhelikrausichalcone
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':2',3']-4'-hydroxy-6'-methoxychalcone
0.000	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(2OH)	2'-Hydroxychalcone	3',4'-Dihydrooxepino-6'-hydroxybutein
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Isodehydrocycloxanthohumol hydrate
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe, 1(C-Prenyl))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	3'-Prenyl-2',6',beta-trihydroxy-4'-methoxychalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Dihydrochalcone	Flemistrictin D
0.000	[Dihydrochalcone beta-ol (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Dihydrochalcone beta-ol	Ponganone IX
0.000	[Flavanone]-A(1OH, 1OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavanone	Tephroleocarpin A
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OH)	Flavanone	5,7,4'-Trihydroxy-6-methyl-8-prenylflavanone
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1Methyl)-B(1OH)	Flavanone	5,7,4'-Trihydroxy-8-methyl-6-prenylflavanone
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH)	Flavanone	Velloeriodictyol
0.000	[Flavanone]-A(1OH, 1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Flavanone	5-Hydroxy-6-methoxy-3',4'-methylenedioxyfurano[2'',3'':7,8]flavanone
0.000	[Flavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	Flavone	Dinklagin C
0.000	[Flavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH)	Flavone	Ephedroidin
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(1OH)	Flavone	Dinklagin B
0.000	[3-substituted Flavone (3-C-Prenyl)]-A(2OH)-B(2OH)	3-substituted Flavone	Albanin A
0.000	[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Dihydroflavonol	Shuterol
0.000	[Dihydroflavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Dihydroflavonol	3,5,4'-Trihydroxy-4'',5'',dihydro-5''-isopropenylfurano[2'',3'':7,8]flavanone
0.000	[Dihydroflavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(none)	Dihydroflavonol	3,5,6-Trimethoxy-[2'',3'':7,8]furanoflavanone
0.000	[Flavan 3-ol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavan 3-ol	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
0.000	[Flavan 4-ol]-A(2OMe, 1(C-Prenyl))-B(none)	Flavan 4-ol	Tephrowatsin A
0.000	[Flavan 3,4-diol]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavan 3,4-diol	Quercetol A
0.000	[CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin]-A(1OH)-B(2OH)	CCS-type derivative / [2,3,4:5,4a,4]-(6-Carboxypyrano)anthocyanidin	5-Carboxypyranocyanidin
0.000	[Isoflavone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(1OH)	Isoflavone	Hydroxywighteone
0.000	[Isoflavone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(1OH)	Isoflavone	Gancaonin C
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(1OH)	Isoflavone	Erythrinin C
0.000	[Isoflavone]-A(2OH)-B(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone C
0.000	[Isoflavone]-A(2OH)-B(2OH, 1(1,1-Dimethylallyl))	Isoflavone	Fremontin
0.000	[Isoflavanone]-A(1([2,3:@@]-Furano))-B(1OH, 1OMe, 1([@@]-Methylenedioxy))	Isoflavanone	Erosenone
0.000	[Isoflavanone]-A(1([2,3:@@]-Furano))-B(3OMe)	Isoflavanone	Nepseudin
0.000	[Isoflavanone]-A(1([2,3:@@]-Furano))-B(3OMe)	Isoflavanone	Ambonone
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH, 1OMe)	Isoflavan	3'-Methoxyglabridin
0.000	[Isoflavan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavan	Neorauflavane
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1OMe, 1(C-Prenyl))	Pterocarpan-6a-ol	Cristacarpin
0.000	[Pterocarpan-6a-ol]-A(1OMe, 1(C-Prenyl))-B(1OH)	Pterocarpan-6a-ol	Glyceollin IV
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(Hydroxyisopropanyl)furano)))-B(1OH)	Pterocarpan-6a-ol	Glyceofuran
0.000	[Rotenoid 12-ol]-A(1([2,3:@@]-Furano))-B(2OMe)	Rotenoid 12-ol	Elliptinol
0.000	[3-Hydroxy-2-phenylbenzofuran (3-OMe)]-A(1OH, 1(C-Prenyl))-B(1OH, 1OMe)	3-Hydroxy-2-phenylbenzofuran	Ambofuranol
0.000	[2-Phenylbenzofuran]-A(2OMe, 1(C-Prenyl))-B(2OH)	2-Phenylbenzofuran	Gancaonin I

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
	20.94	613.15901	306.0759	0.28	[M+H]+	Oxidized glutathione	ALL 1 KG 1	MS2 MS3 x 2		0.100	3
1957	20.94	307.08306	0.0000	0.29	[M+2H]2+	Oxidized glutathione	ALL 1 KG 1	MS2 MS3 x 2	0.034	0.158	3

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果

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