ピーク情報

リーフレタスグリーン

pos

Peak #1390 MN MID: SE198_S12_M90

m/z: 332.13381, RT: 20.44, 強度: 140619, ログ強度: 1.65, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 6

DB検索結果: (4 names) 5'-O-beta-D-Glucosylpyridoxine;(2R,3R,4S,5S,6R)-6-[[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxymethyl]oxane-2,3,4,5-tetrol;Zinolol;4H-1,2,4-Triazole, 3-(trans-1-(4-chlorophenyl)-3-fluoroc...

DBごとのヒット数: ALL 4 KG 1 KN 1 HM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.111

安定同位体ラベル実験で見積もられた原子数:

N: 1

S: 0

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
C14H21O8N	331.12672	-0.542	5'-O-beta-D-Glucosylpyridoxine	HMDB: HMDB0246884 KEGG: C03996
C14H21O8N	331.12672	-0.542	(2R,3R,4S,5S,6R)-6-[[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxymethyl]oxane-2,3,4,5-tetrol	HMDB: HMDB0242588
C14H21O8N	331.12672	-0.542	Zinolol	KNApSAcK: C00032550
C18H19N3ClF	331.12515	4.177	4H-1,2,4-Triazole, 3-(trans-1-(4-chlorophenyl)-3-fluorocyclobutyl)-4,5-dicyclopropyl-	HMDB: HMDB0259552

MSnスペクトル情報

Level: 2, プリカーサーm/z: 332.13351

Splash: splash10-03di-0109000000-1ddc084cbab7ca342939

m/z	Int.	NL	Rel.Int.
314.21	242039	18	1000
315.15	46302	17	191
170.07	20990	162	86
152.04	17193	180	71

Level: 3, プリカーサーm/z: 314.20258

Splash: splash10-0zg0-0900000000-9c974977b3b043574874

m/z	Int.	NL	Rel.Int.
151.96	17051	162	1000
107.94	15801	206	926
135.97	15150	178	888
134.02	2738	180	160
296.23	1341	18	78
154.02	1091	160	63

Level: 3, プリカーサーm/z: 315.15820

Splash: splash10-0k9i-0900000000-34d194bc20ea0c758926

m/z	Int.	NL	Rel.Int.
107.95	6082	207	1000
151.95	5797	163	953
135.97	5225	179	859
153.03	3672	162	603
136.99	3516	178	578
108.95	3379	206	555
134.02	899	181	147
135.12	810	180	133
297.17	551	18	90

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.111	[Flavanone]-A(2OMe)-B(1OMe)	Flavanone	Naringenin trimethyl ether
0.087	[Flavonol]-A(1OH, 1OMe)-B(1OMe)	Flavonol	3,7-Dihydroxy-5,4'-dimethoxyflavone
0.087	[Flavonol]-A(1OH, 1OMe)-B(1OMe)	Flavonol	Kaempferol 7,4'-dimethyl ether
0.074	[Isoflavone]-A(2OH)-B(2OMe)	Isoflavone	Pratensein 3'-O-methyl ether
0.074	[Isoflavone]-A(2OH)-B(2OMe)	Isoflavone	2'-Methoxybiochanin A
0.074	[Isoflavone]-A(2OMe)-B(2OH)	Isoflavone	5,7-Dimethixyorobol
0.074	[Isoflavone]-A(2OMe)-B(2OH)	Isoflavone	2',4'-Dihydroxy-5,7-dimethoxyisoflavone
0.074	[Isoflavone]-A(1OH)-B(1OH, 2OMe)	Isoflavone	7,2'-Dihydroxy-3',4'-dimethoxyisoflavone
0.071	[Pterocarpan]-A(2OMe)-B(1OMe)	Pterocarpan	2-Methoxyhomopterocarpin
0.071	[Pterocarpan]-A(2OMe)-B(1OMe)	Pterocarpan	4-Methoxyhomopterocarpin
0.059	[2'-Hydroxychalcone]-A(1OH)-B(3OMe)	2'-Hydroxychalcone	Crotaoprostrin
0.059	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OMe)	2'-Hydroxychalcone	2'-Hydroxy-2,4',6'-trimethoxychalcone
0.059	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OMe)	2'-Hydroxychalcone	Flavokawin A
0.059	[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(none)	2'-Hydroxychalcone	Helilandin B
0.059	[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(none)	2'-Hydroxychalcone	2'-Hydroxy-3',4',6'-trimethoxychalcone
0.053	[Chalcone]-A(1OH, 2OMe)-B(1OMe)	Chalcone	4'-Hydroxy-2',4,6'-trimethoxychalcone
0.053	[Chalcone]-A(none)-B(1OH, 3OMe)	Chalcone	Tepanone
0.053	[Flavanone]-A(1OMe)-B(2OMe)	Flavanone	6,3',4'-Trimethoxyflavanone
0.053	[Flavanone]-A(3OMe)-B(none)	Flavanone	5,7,8-Trimethoxyflavanone
0.036	[Isoflavone]-A(2OH, 1OMe)-B(1OMe)	Isoflavone	Dipteryxin
0.036	[Isoflavone]-A(2OH, 1OMe)-B(1OMe)	Isoflavone	5,7-Dihydroxy-6,2'-dimethoxyisoflavone
0.036	[Isoflavone]-A(2OH, 1OMe)-B(1OMe)	Isoflavone	Irisolidone
0.036	[Isoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	Odoratin
0.036	[Isoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	7,2'-Dihydroxy-6,4'-dimethoxyisoflavone
0.036	[Isoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	3'-Hydroxy-8-O-methylretusin
0.036	[Isoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	7,3'-Dimethixyorobol
0.036	[Isoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	5,3'-Dihydroxy-7,4'-dimethoxyisoflavone
0.036	[Isoflavone]-A(1OH, 2OMe)-B(1OH)	Isoflavone	Muningin
0.036	[Isoflavone]-A(1OH, 2OMe)-B(1OH)	Isoflavone	7-O-Methyltectorigenin
0.036	[Isoflavone]-A(1OH, 2OMe)-B(1OH)	Isoflavone	5,2'-Dihydroxy-7,8-dimethoxyisoflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavone	Abrectorin
0.000	[Flavone]-A(2OH, 1OMe)-B(1OMe)	Flavone	6,8-Dihydroxy-7,4'-dimethoxyflavone
0.000	[Flavone]-A(2OH)-B(2OMe)	Flavone	Luteolin 3',4'-dimethyl ether
0.000	[Flavone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavone	Luteolin 5,3'-dimethyl ether
0.000	[Flavone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavone	7,3'-Dihydroxy-5,4'-dimethoxyflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavone	Velutin
0.000	[Flavone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavone	Pilloin
0.000	[Flavone]-A(2OH, 1OMe)-B(1OMe)	Flavone	Scutellarein 5,4'-dimethyl ether
0.000	[Flavone]-A(2OH, 1OMe)-B(1OMe)	Flavone	Pectolinarigenin
0.000	[Flavone]-A(1OH, 2OMe)-B(1OH)	Flavone	Cirsimaritin
0.000	[Flavone]-A(2OH, 1OMe)-B(1OMe)	Flavone	Ladanein
0.000	[Flavone]-A(1OH, 2OMe)-B(1OH)	Flavone	Skullcapflavone I
0.000	[Flavone]-A(2OH, 1OMe)-B(1OMe)	Flavone	5,7-Dihydroxy-8,2'-dimethoxyflavone
0.000	[Flavone]-A(2OH, 1OMe)-B(1OMe)	Flavone	5,8-dihydroxy-7,4'-dimethoxyflavone
0.000	[Flavone]-A(1OH, 2OMe)-B(1OH)	Flavone	Isoscutellarein 7,8-dimethyl ether
0.000	[Flavone]-A(2OH, 1OMe)-B(1OMe)	Flavone	Bucegin
0.000	[Flavone]-A(2OH, 2OMe)-B(none)	Flavone	5,8-Dihydroxy-6,7-dimethoxyflavone
0.000	[Flavone]-A(2OH, 2OMe)-B(none)	Flavone	5,7-Dihydroxy-6,8-dimethoxyflavone
0.000	[Anthocyanidin]-A(1OH, 1OMe)-B(1OH, 1OMe)	Anthocyanidin	Rosinidin
0.000	[Coumestan]-A(1OH, 1OMe)-B(2OH)	Coumestan	Wedelolactone
0.000	[Flavonol]-A(1OH, 2OMe)-B(none)	Flavonol	3,7-Dihydroxy-5,6-dimethoxyflavone
0.000	[Flavonol]-A(1OH, 2OMe)-B(none)	Flavonol	3,6-Dihydroxy-5,7-dimethoxyflavone
0.000	[Flavonol]-A(1OH, 2OMe)-B(none)	Flavonol	3,5-Dihydroxy-6,7-dimethoxyflavone
0.000	[Flavonol]-A(1OH, 2OMe)-B(none)	Flavonol	3,5-Dihydroxy-7,8-dimethoxyflavone
0.000	[Flavonol]-A(2OMe)-B(1OH)	Flavonol	3,4'-Dihydroxy-7,8-dimethoxyflavone
0.000	[Aurone]-A(1OH, 1OMe, 1Methyl)-B(2OH)	Aurone	6,3',4'-Trihydroxy-4-methoxy-5-methylaurone
0.000	[Aurone]-A(1OH, 1OMe, 1Methyl)-B(2OH)	Aurone	6,3',4'-Trihydroxy-4-methoxy-7-methylaurone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy))	2'-Hydroxychalcone	Prosogerin B
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH)	2'-Hydroxychalcone	4,2'-Dihydroxy-6'-methoxy-3',4'-methylenedioxychalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(3OH, 1Formyl, 1Methyl)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	3'-Formyl-2',4',6',beta-tetrahydroxy-5'-methylchalcone
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone]-A(1OH, 2OMe)-B(none)	UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone	Methylpedicinin
0.000	[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type beta-Hydroxychalcone]-A(1OH, 1OMe, 2Methyl)-B(none)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type beta-Hydroxychalcone	Syzygiol
0.000	[Dihydrochalcone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Dihydrochalcone	Ponganone VII
0.000	[Dihydrochalcone]-A(2OMe, 1([@@]-Methylenedioxy))-B(none)	Dihydrochalcone	2',6'-Dimethoxy-3',4'-methylenedioxydihydrochalcone
0.000	[UBR-type derivative / 2',4'-Dioxo-6'-cyclohexenyl-type Dihydrochalcone]-A(1OH, 4Methyl)-B(none)	UBR-type derivative / 2',4'-Dioxo-6'-cyclohexenyl-type Dihydrochalcone	Grandiflorone
0.000	[Flavanone]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Flavanone	6-Hydroxy-7-methoxy-3',4'-methylenedioxyflavanone
0.000	[Flavanone]-A(1OH, 1OMe, 1Hydroxymethyl, 1Methyl)-B(none)	Flavanone	Leridol
0.000	[Flavanone]-A(2OH, 2Methyl)-B(1OMe)	Flavanone	Isomatteucinol
0.000	[Flavanone]-A(2OH, 2Methyl)-B(1OMe)	Flavanone	Matteucinol
0.000	[Flavanone]-A(1OH, 1OMe, 2Methyl)-B(1OH)	Flavanone	Angophorol
0.000	[Flavone]-A(1OH, 1OMe, 1Methyl)-B(2OH)	Flavone	5,3',4'-Trihydroxy-7-methoxy-6-methylflavone
0.000	[Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Acetyl))	Dihydroflavonol	Pinobanksin 3-O-acetate
0.000	[Dihydroflavonol]-A(1OMe, 1([@@]-Methylenedioxy))-B(none)	Dihydroflavonol	3-Hydroxy-5-methoxy-6,7-methylenedioxyflavanone
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH)	Flavonol	7,4'-Dihydroxy-3,6-dimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(1OH)	Flavonol	Sylpin
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OMe)	Flavonol	Ermanin
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH)	Flavonol	Kaempferol 3,5-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OH)	Flavonol	Kumatakenin
0.000	[Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(1OH)	Flavonol	5,7,4'-Trihydroxy-3-methoxy-6-methylflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(none)	Flavonol	Alnusin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(none)	Flavonol	5,6-Dihydroxy-3,7-dimethoxyflavone
0.000	[Flavonol]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH)	Flavonol	Gomphrenol
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(none)	Flavonol	5,8-Dihydroxy-3,7-dimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(none)	Flavonol	Gnaphaliin
0.000	[Flavonol (3-OMe)]-A(3OH, 1Methyl)-B(none)	Flavonol	Platanin 3-methyl ether
0.000	[Flavonol]-A(2OH, 1OMe, 1Methyl)-B(none)	Flavonol	3,5,8-Trihydroxy-7-methoxy-6-methylflavone
0.000	[Flavonol]-A(2OH, 1OMe, 1Methyl)-B(none)	Flavonol	Pityrogrammin
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavone]-A(2OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavone	2,3,8,10-Tetrahydroxy[2]benzopyrano[4,3-b][1]benzopyran-7(5H)-one
0.000	[CCS-type derivative / [3,2']-Epoxyhydroxymethanoflavone]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxyhydroxymethanoflavone	Fasciculiferin
0.000	[Flavan]-A(1OH, 2Methyl)-B(1OH, 1([@@]-Methylenedioxy))	Flavan	7,2'-Dihydroxy-6,8-dimethyl-4',5'-methylenedioxyflavan
0.000	[Flavan]-A(1OH, 2Methyl)-B(1OH, 1([@@]-Methylenedioxy))	Flavan	7,2'-Dihydroxy-5,8-dimethyl-4',5'-methylenedioxyflavan
0.000	[3-DehydroxyAnthocyanidin]-A(2OH, 1OMe)-B(1OH, 1OMe)	3-DehydroxyAnthocyanidin	5,4'-Dimethyl-6-hydroxyluteolinidin
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavone]-A(2OH)-B(1OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavone	5-Hydroxybowdichione
0.000	[Isoflavanone]-A(1OH)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavanone	Onogenin
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan	2-Hydroxyhomopterocarpin
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan	4-Methoxymaackiain
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan	4-Hydroxypterocarpin
0.000	[Pterocarpan-6a-ol]-A(1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Pisatin
0.000	[Pterocarpan-6-ol (6-OMe)]-A(1OH)-B(1([@@]-Methylenedioxy))	Pterocarpan-6-ol	Sophoracarpan B
0.000	[Pterocarpan-6-ol (3-OMe)]-A(1OMe)-B(1OMe)	Pterocarpan-6-ol	6-Methoxyhomopterocarpin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(1OH, 1OMe)	4-phenylcoumarin	Melannein
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(1OH, 1OMe)	4-phenylcoumarin	7,3'-Dihydroxy-5,4'-dimethoxy-4-phenylcoumarin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(1OH, 1OMe)	4-phenylcoumarin	5,3'-Dihydroxy-7,4'-dimethoxy-4-phenylcoumarin
0.000	[4-phenylcoumarin]-A(2OMe)-B(2OH)	4-phenylcoumarin	3',4'-Dihydroxy-5,7-dimethoxy-4-phenylcoumarin