ピーク情報

しそ葉生

pos

Peak #1815 MN MID: SE113_S060951_M90

m/z: 332.13376, RT: 32.82, 強度: 6440, ログ強度: 0.24, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

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: 0.143

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	-0.694	5'-O-beta-D-Glucosylpyridoxine	HMDB: HMDB0246884 KEGG: C03996
C14H21O8N	331.12672	-0.694	(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	-0.694	Zinolol	KNApSAcK: C00032550
C18H19N3ClF	331.12515	4.025	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: 332.13348

Splash: splash10-03di-0009000000-a9610d13ba8e165c3591

m/z	Int.	NL	Rel.Int.
314.77	12356	17	1000

Level: 3, プリカーサーm/z: 314.76727

Splash: splash10-06tb-0940010000-a2f0e9ee1465101fb9b8

m/z	Int.	NL	Rel.Int.
157.54	51	157	1000
278.85	31	36	608
296.79	29	18	578
513.46	27	-199	531
126.89	22	188	423
163.21	19	152	375
145.13	19	170	375
269.10	14	46	266
162.59	13	152	250
149.17	11	166	219
109.04	10	206	204
152.99	8	162	157

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.143	[Isoflavone]-A(1OH)-B(1OH, 2OMe)	Isoflavone	7,2'-Dihydroxy-3',4'-dimethoxyisoflavone
0.103	[Isoflavone]-A(2OMe)-B(2OH)	Isoflavone	5,7-Dimethixyorobol
0.103	[Isoflavone]-A(2OMe)-B(2OH)	Isoflavone	2',4'-Dihydroxy-5,7-dimethoxyisoflavone
0.095	[Flavanone]-A(1OMe)-B(2OMe)	Flavanone	6,3',4'-Trimethoxyflavanone
0.077	[Flavonol]-A(1OH, 1OMe)-B(1OMe)	Flavonol	3,7-Dihydroxy-5,4'-dimethoxyflavone
0.077	[Flavonol]-A(1OH, 1OMe)-B(1OMe)	Flavonol	Kaempferol 7,4'-dimethyl ether
0.067	[Isoflavone]-A(2OH, 1OMe)-B(1OMe)	Isoflavone	Dipteryxin
0.067	[Isoflavone]-A(2OH, 1OMe)-B(1OMe)	Isoflavone	5,7-Dihydroxy-6,2'-dimethoxyisoflavone
0.067	[Isoflavone]-A(2OH, 1OMe)-B(1OMe)	Isoflavone	Irisolidone
0.067	[Isoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	Odoratin
0.067	[Isoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	7,2'-Dihydroxy-6,4'-dimethoxyisoflavone
0.067	[Isoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	3'-Hydroxy-8-O-methylretusin
0.067	[Isoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	7,3'-Dimethixyorobol
0.067	[Isoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	5,3'-Dihydroxy-7,4'-dimethoxyisoflavone
0.067	[Isoflavone]-A(1OH, 2OMe)-B(1OH)	Isoflavone	Muningin
0.067	[Isoflavone]-A(1OH, 2OMe)-B(1OH)	Isoflavone	7-O-Methyltectorigenin
0.067	[Isoflavone]-A(1OH, 2OMe)-B(1OH)	Isoflavone	5,2'-Dihydroxy-7,8-dimethoxyisoflavone
0.067	[Isoflavone]-A(2OH)-B(2OMe)	Isoflavone	Pratensein 3'-O-methyl ether
0.067	[Isoflavone]-A(2OH)-B(2OMe)	Isoflavone	2'-Methoxybiochanin A
0.050	[2'-Hydroxychalcone]-A(1OH)-B(3OMe)	2'-Hydroxychalcone	Crotaoprostrin
0.050	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OMe)	2'-Hydroxychalcone	2'-Hydroxy-2,4',6'-trimethoxychalcone
0.050	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OMe)	2'-Hydroxychalcone	Flavokawin A
0.050	[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(none)	2'-Hydroxychalcone	Helilandin B
0.050	[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(none)	2'-Hydroxychalcone	2'-Hydroxy-3',4',6'-trimethoxychalcone
0.045	[Chalcone]-A(1OH, 2OMe)-B(1OMe)	Chalcone	4'-Hydroxy-2',4,6'-trimethoxychalcone
0.045	[Chalcone]-A(none)-B(1OH, 3OMe)	Chalcone	Tepanone
0.045	[Flavanone]-A(2OMe)-B(1OMe)	Flavanone	Naringenin trimethyl ether
0.045	[Flavanone]-A(3OMe)-B(none)	Flavanone	5,7,8-Trimethoxyflavanone
0.038	[Anthocyanidin]-A(1OH, 1OMe)-B(1OH, 1OMe)	Anthocyanidin	Rosinidin
0.037	[Flavonol]-A(1OH, 2OMe)-B(none)	Flavonol	3,7-Dihydroxy-5,6-dimethoxyflavone
0.037	[Flavonol]-A(1OH, 2OMe)-B(none)	Flavonol	3,6-Dihydroxy-5,7-dimethoxyflavone
0.037	[Flavonol]-A(1OH, 2OMe)-B(none)	Flavonol	3,5-Dihydroxy-6,7-dimethoxyflavone
0.037	[Flavonol]-A(1OH, 2OMe)-B(none)	Flavonol	3,5-Dihydroxy-7,8-dimethoxyflavone
0.037	[Flavonol]-A(2OMe)-B(1OH)	Flavonol	3,4'-Dihydroxy-7,8-dimethoxyflavone
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	[Coumestan]-A(1OH, 1OMe)-B(2OH)	Coumestan	Wedelolactone
0.000	[Pterocarpan]-A(2OMe)-B(1OMe)	Pterocarpan	2-Methoxyhomopterocarpin
0.000	[Pterocarpan]-A(2OMe)-B(1OMe)	Pterocarpan	4-Methoxyhomopterocarpin
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