ピーク情報

＜茶類＞（発酵茶類）紅茶浸出液

pos

Peak #3476 MN MID: SE119_S160441_M90

m/z: 457.11328, RT: 48.25, 強度: 32287, ログ強度: 1.09, 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: (7 names) 3,5,7-Tris(acetyloxy)-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one;Pinnatifinoside B;(+)-Pinnatifinoside B;Epicatechin 3-O-(4-methylgallate);Epicatechin 3-O-(3-O-methylgallate);Epigallocatechin...

DBごとのヒット数: ALL 6 KG 1 KN 5

FlavonoidSearch最大スコア MS2: 0.500, MS3: 0.375

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
C23H20O10	456.10565	0.785	3,5,7-Tris(acetyloxy)-8-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one	FlavonoidViewer: FL5FFANS0024 KNApSAcK: C00013545 LipidMAPS: LMPK12113172
C23H20O10	456.10565	0.785	Pinnatifinoside B	KNApSAcK: C00037649, C00037650, C00037651
C23H20O10	456.10565	0.785	Epicatechin 3-O-(4-O-methylgallate)	FlavonoidViewer: FL63ACNS0010 HMDB: HMDB0039328 KNApSAcK: C00008870 LipidMAPS: LMPK12020094
C23H20O10	456.10565	0.785	Epicatechin 3-O-(3-O-methylgallate)	FlavonoidViewer: FL63ACNS0009 HMDB: HMDB0037945 KNApSAcK: C00008869 LipidMAPS: LMPK12020093
C23H20O10	456.10565	0.785	Epigallocatechin 3-O-vanillate	FlavonoidViewer: FL63AGNS0016 KNApSAcK: C00008903 LipidMAPS: LMPK12020132
C17H21O9N4P	456.10462	3.044	FMN	HMDB: HMDB0001520, [-1f]HMDB0303285 KEGG: C00061 KNApSAcK: C00019686

MSnスペクトル情報

Level: 2, プリカーサーm/z: 457.11243

Splash: splash10-00di-0190000000-6b1f64e51afec6295afa

m/z	Int.	NL	Rel.Int.
272.99	7030	184	1000
281.05	1861	176	264
150.93	629	306	89
138.94	549	318	78
330.98	399	126	56

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.500	[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-1(OMe)-Galloyl))	Flavan 3-ol	Catechin 3-O-(3-O-methylgallate)
0.500	[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-1(OMe)-Galloyl))	Flavan 3-ol	Catechin 3-O-(4-O-methylgallate)
0.286	[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Vanilloyl))	Flavan 3-ol	Gallocatechin 3-O-vanillate
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(2OH)	2'-Hydroxychalcone	Kuraridinol
0.000	[CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(1OH, 1OMe, 1(C-Prenyl))	CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone	Antiarone J
0.000	[Flavanone]-A(2OH, 1(2-(2-hydroxyisopropyl)-5-methyl-4-hexenyl))-B(2OH)	Flavanone	Kushenol Q
0.000	[Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(1OH, 1OMe)	Flavanone	Kushenol P
0.000	[Flavonol]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(2OH)	Flavonol	Kushenol G
0.000	[Isoflavone]-A(2OH, 1(2,3-Dihydroxy-3-methylbutyl))-B(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone M

Level: 3, プリカーサーm/z: 272.98560

Splash: splash10-00di-0900000000-e6c290d75a910dde7137

m/z	Int.	NL	Rel.Int.
122.96	2836	150	1000
146.85	576	126	203
150.94	533	122	187
163.01	419	110	147
255.13	363	18	128
189.08	203	84	71

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.375	[Isoflavan]-A(1OH)-B(1OH, 1OMe)	Isoflavan	Vestitol
0.375	[Isoflavan]-A(1OH)-B(1OH, 1OMe)	Isoflavan	Isovestitol
0.333	[Pterocarpan]-A(2OH)-B(1OH)	Pterocarpan	4-Hydroxydemethylmedicarpin
0.286	[2'-Hydroxychalcone]-A(2OH)-B(2OH)	2'-Hydroxychalcone	Pseudosindorin
0.286	[2'-Hydroxychalcone]-A(2OH)-B(2OH)	2'-Hydroxychalcone	Butein
0.286	[2'-Hydroxychalcone]-A(2OH)-B(2OH)	2'-Hydroxychalcone	2,4,2',4'-Tetrahydroxychalcone
0.267	[Flavanone]-A(1OH)-B(2OH)	Flavanone	Butin
0.250	[Isoflavanone]-A(1OH)-B(2OH)	Isoflavanone	2'-Hydroxydihydrodaidzein
0.250	[2'-Hydroxychalcone]-A(3OH)-B(1OH)	2'-Hydroxychalcone	Naringenin chalcone
0.231	[Flavanone]-A(2OH)-B(1OH)	Flavanone	5,8,4'-Trihydroxyflavanone
0.231	[Flavanone]-A(2OH)-B(1OH)	Flavanone	5,7,2'-Trihydroxyflavanone
0.231	[Flavanone]-A(2OH)-B(1OH)	Flavanone	5,7,3'-Trihydroxyflavanone
0.231	[Flavanone]-A(2OH)-B(1OH)	Flavanone	Naringenin
0.222	[Isoflavan]-A(1OMe)-B(2OH)	Isoflavan	Neovestitol
0.200	[2'-Hydroxychalcone]-A(3OH)-B(1OH)	2'-Hydroxychalcone	4,2',3',4'-Tetrahydroxychalcone
0.188	[Flavanone]-A(2OH)-B(1OH)	Flavanone	7,8,4'-Trihydroxyflavanone
0.143	[Flavanone]-A(3OH)-B(none)	Flavanone	Dihydrobaicalein
0.143	[Flavanone]-A(3OH)-B(none)	Flavanone	Dihydronorwogonin
0.111	[Dihydroflavonol]-A(2OH)-B(none)	Dihydroflavonol	Pinobanksin
0.111	[Dihydroflavonol]-A(1OH)-B(1OH)	Dihydroflavonol	Garbanzol
0.100	[Flavan 3-ol]-A(1OMe)-B(1OH)	Flavan 3-ol	Guibourtinidol-7-methyl ether
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(none)	Dihydrochalcone	Uvangoletin
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(none)	Dihydrochalcone	2',6'-Dihydroxy-4'-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH)-B(1OH, 1OMe)	Dihydrochalcone	Loureirin C
0.000	[Dihydrochalcone]-A(1OH)-B(1OH, 1OMe)	Dihydrochalcone	2,4'-Dihydroxy-4-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH, 1OMe)-B(1OH)	Dihydrochalcone	4'-O-Methyldavidigenin
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH)-B(1OH)	beta-Hydroxy(or Oxodihydro)chalcone	Licodione
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(3OH)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	2',4',6',beta-Tetrahydroxychalcone
0.000	[Dihydrochalcone]-A(3OH, 1Methyl)-B(none)	Dihydrochalcone	3'-Methyl-2',4',6'-trihydroxydihydrochalcone
0.000	[2-Hydroxyflavanone]-A(2OH)-B(none)	2-Hydroxyflavanone	2,5,7-Trihydroxyflavanone (2beta)
0.000	[Flavan]-A(1OMe)-B(2OH)	Flavan	3',4'-Dihydroxy-7-methoxyflavan
0.000	[Flavan]-A(1OH)-B(1OH, 1OMe)	Flavan	7,4'-Dihydroxy-3'-methoxyflavan
0.000	[Flavan]-A(1OH)-B(1OH, 1OMe)	Flavan	7,3'-Dihydroxy-4'-methoxyflavan
0.000	[Flavan]-A(2OH)-B(1OMe)	Flavan	5,7-Dihydroxy-4'-methoxyflavan
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1OH)	Pterocarpan-6a-ol	Glycinol
0.000	[alpha-Methyldeoxybenzoin]-A(2OH)-B(1OMe)	alpha-Methyldeoxybenzoin	Angolensin

Level: 3, プリカーサーm/z: 281.05014

Splash: splash10-03di-0910000000-b179ad1ea52e10899302

m/z	Int.	NL	Rel.Int.
161.00	574	120	1000
189.03	261	92	454
133.12	104	148	180
263.17	81	18	140
179.05	71	102	122
206.99	57	74	99
147.06	43	134	74
118.96	38	162	66
165.03	32	116	55