ピーク情報

ポプラ, 幼植物, 地上部

pos

Peak #6972 MN MID: SE205_S08_M90

m/z: 562.19245, RT: 59.76, 強度: 23380, ログ強度: 0.77, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (18 names) 3,5-Diferuloylquinic acid;4-Hydroxytremulacin;Homaloside D;1-O-Methyl-3,5-O-dicaffeoyl quinic acid methyl ester;Hydroxyrubicin;Curcumin glucuronide;1,5-Diferuloylquinic acid;Itoside D;(-)-Itoside D;Pr...

DBごとのヒット数: ALL 14 KG 1 KN 7 HM 6

FlavonoidSearch最大スコア MS2: -, MS3: 0.042

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
C27H28O12	544.15808	1.003	3,5-Diferuloylquinic acid	HMDB: HMDB0301726
C27H28O12	544.15808	1.003	4-Hydroxytremulacin	KNApSAcK: C00038278
C27H28O12	544.15808	1.003	Homaloside D	KNApSAcK: C00039381
C27H28O12	544.15808	1.003	1-O-Methyl-3,5-O-dicaffeoyl quinic acid methyl ester	KNApSAcK: C00050653
C27H28O12	544.15808	1.003	Hydroxyrubicin	HMDB: HMDB0253290
C27H28O12	544.15808	1.003	Curcumin glucuronide	HMDB: HMDB0240491
C27H28O12	544.15808	1.003	1,5-Diferuloylquinic acid	HMDB: HMDB0041641
C27H28O12	544.15808	1.003	Itoside D	KNApSAcK: C00039463
C27H28O12	544.15808	1.003	Hirsutissimiside A	KNApSAcK: C00031858
C27H28O12	544.15808	1.003	Cochinchiside B	KNApSAcK: C00043404
C27H28O12	544.15808	1.003	3,4-Diferuloylquinic acid	HMDB: HMDB0301725
C27H28O12	544.15808	1.003	Methyl 3,4-dicaffeoylquinate	HMDB: HMDB0037093
C27H28O12	544.15808	1.003	Itoside C	KNApSAcK: C00039462
C27H28O12	544.15808	1.003	Premithramycin A1	KEGG: C12384

MSnスペクトル情報

Level: 2, プリカーサーm/z: 562.19110

Splash: splash10-0040-0093000000-bf50d9003968c580492f

m/z	Int.	NL	Rel.Int.
283.05	4221	279	1000
226.99	3011	335	713
389.01	2774	173	657
245.07	407	317	96

Level: 3, プリカーサーm/z: 226.98561

Splash: splash10-001i-0900000000-9168313b55c88e265ced

m/z	Int.	NL	Rel.Int.
132.86	1111	94	1000
106.94	112	120	100

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavan]-A(1OH)-B(none)	Flavan	7-Hydroxyflavan

Level: 3, プリカーサーm/z: 283.05438

Splash: splash10-00di-0910000000-e316e6218f40b1909aeb

m/z	Int.	NL	Rel.Int.
120.89	1045	162	1000
138.89	447	144	427
264.91	156	18	149
126.96	88	156	84
245.93	61	37	58

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.042	[Isoflavone]-A(1OMe)-B(1OMe)	Isoflavone	7,4'-Di-O-methyldaidzein
0.042	[Isoflavone]-A(2OMe)-B(none)	Isoflavone	5,7-Dimethoxyisoflavone
0.000	[Flavone]-A(2OMe)-B(none)	Flavone	7,8-Dimethoxyflavone
0.000	[Flavone]-A(2OMe)-B(none)	Flavone	5,6-Dimethoxyflavone
0.000	[Flavone]-A(1OMe)-B(1OMe)	Flavone	6,3'-Dimethoxyflavone
0.000	[Flavone]-A(2OMe)-B(none)	Flavone	chrysin 5,7-dimethyl ether
0.000	[Coumestan]-A(1OH)-B(1OMe)	Coumestan	9-O-Methylcoumestrol
0.000	[Aurone]-A(1OH, 1([@@]-Methylenedioxy))-B(none)	Aurone	4,5-Methylenedioxy-6-hydroxyaurone
0.000	[UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Chalcone]-A(1OH, 3Methyl)-B(none)	UBR-type derivative / 2'-Oxocyclohexa-4',6'-dienyl-type Chalcone	Ohobanin
0.000	[UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone]-A(1([2,3:@@]-(5-Oxotetrahydrofurano)))-B(none)	UBR-type derivative / 2'-Oxo-3'-enyl-0-hydroxy-type Chalcone	Cryptocaryone
0.000	[Dihydrochalcone alpha-ol]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Dihydrochalcone alpha-ol	Castillene E
0.000	[Flavone]-A(1OH, 1Methyl)-B(1OMe)	Flavone	Saltillin
0.000	[Flavone]-A(1OH, 1OMe, 1Methyl)-B(none)	Flavone	6-Methyltectochrysin
0.000	[Flavone]-A(2OH, 2Methyl)-B(none)	Flavone	Matteuorien
0.000	[Flavonol (3-OMe)]-A(1OMe)-B(none)	Flavonol	3,7-Dimethoxyflavone
0.000	[Isoflavone]-A(1OH)-B(1OH, 1Formyl)	Isoflavone	Corylinal
0.000	[Isoflavone]-A(1OH)-B(1([@@]-Methylenedioxy))	Isoflavone	Pseudobaptigenin
0.000	[Pterocarpene]-A(1OMe)-B(1OMe)	Pterocarpene	Anhydrovariabilin
0.000	[Pterocarpene]-A(1OH)-B(1([@@]-Methylenedioxy))	Pterocarpene	3-Hydroxy-8,9-methylenedioxypterocarp-6a-ene
0.000	[Coumestan]-A(1Methyl)-B(2OH)	Coumestan	8,9-Dihydroxy-1-methylcoumestan
0.000	[4-phenylcoumarin]-A(2OMe)-B(none)	4-phenylcoumarin	Methyldalbergin