ピーク情報

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Peak #2644 MN MID: SE199_S41_M90

m/z: 452.22825, RT: 39.55, 強度: 7326, ログ強度: 0.27, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: 4-Hydroxyvalsartan

DBごとのヒット数: ALL 1 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.154

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
C24H29O4N5	451.22195	-2.177	4-Hydroxyvalsartan	HMDB: HMDB0013848

MSnスペクトル情報

Level: 2, プリカーサーm/z: 452.22757

Splash: splash10-08fr-0059000000-49e4863a700c7c2db211

m/z	Int.	NL	Rel.Int.
361.13	73119	91	1000
207.04	36529	245	499
209.07	8087	243	110
373.20	6276	79	85
189.12	5561	263	76

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Isoflavone]-A(2OH)-B(1OH, 1OMe, 2(C-Prenyl), 1Amino)	Isoflavone	Piscerythramine

Level: 3, プリカーサーm/z: 207.03954

Splash: splash10-000i-0900000000-cd757471727031a1a675

m/z	Int.	NL	Rel.Int.
189.01	21609	18	1000
161.04	6686	46	309

Level: 3, プリカーサーm/z: 361.13019

Splash: splash10-00kf-0519000000-1a5ea3692215282f8f1a

m/z	Int.	NL	Rel.Int.
343.17	15732	18	1000
317.14	7430	44	472
188.99	7044	172	447
180.98	6700	180	425
207.11	2422	154	153
311.21	1876	50	119
166.99	1872	194	118
315.17	1639	46	104
285.26	1241	76	78
331.18	1232	30	78

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.154	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 2OMe)	Isoflavone	5,7,4'-Trihydroxy-6,3',5'-trimethoxyisoflavone
0.154	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 2OMe)	Isoflavone	Irigenin
0.143	[Pterocarpan]-A(2OMe)-B(1OH, 2OMe)	Pterocarpan	8-Hydroxy-3,4,9,10-tetramethoxypterocarpan
0.130	[Flavonol]-A(1OH, 1OMe)-B(1OH, 2OMe)	Flavonol	Myricetin 7,3',4'-trimethyl ether
0.105	[Flavanone]-A(1OH, 1OMe)-B(3OMe)	Flavanone	5-Hydroxy-7,3',4',5'-tetramethoxyflavanone
0.105	[Flavanone]-A(1OH, 1OMe)-B(3OMe)	Flavanone	Heteroflavanone A
0.083	[Flavonol]-A(2OH)-B(3OMe)	Flavonol	3,5,7-Trihydroxy-2',4',5'-trimethoxyflavone
0.067	[Flavone]-A(2OH)-B(1OH, 3OMe)	Flavone	5,7,3'-Trihydroxy-2',4',5'-trimethoxyflavone
0.067	[Flavone]-A(2OH)-B(1OH, 3OMe)	Flavone	5,7,4'-Trihydroxy-2',3',5'-trimethoxyflavone
0.067	[Flavone]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavone	5,7,4'-Trihydroxy-6,3',5'-trimethoxyflavone
0.067	[Flavone]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavone	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavone
0.067	[Flavone]-A(1OH, 2OMe)-B(2OH, 1OMe)	Flavone	5,3',5'-Trihydroxy-6,7,4'-trimethoxyflavone
0.067	[Flavone]-A(1OH, 2OMe)-B(2OH, 1OMe)	Flavone	5,3',4'-Trihydroxy-6,7,5'-trimethoxyflavone
0.067	[Flavone]-A(1OH, 2OMe)-B(2OH, 1OMe)	Flavone	Arcapillin
0.067	[Flavone]-A(2OH, 1OMe)-B(1OH, 2OMe)	Flavone	5,7,3'-Trihydroxy-8,4',5'-trimethoxyflavone
0.067	[Flavone]-A(1OH, 3OMe)-B(2OH)	Flavone	5,2',5'-Trihydroxy-6,7,8-trimethoxyflavone
0.067	[Flavone]-A(1OH, 3OMe)-B(2OH)	Flavone	5,2',6'-Trihydroxy-6,7,8-trimethoxyflavone
0.067	[Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavone	5,6,2'-Trihydroxy-7,8,6'-trimethoxyflavone
0.067	[Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavone	Sudachitin
0.067	[Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavone	Acerosin
0.067	[Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavone	Isothymonin
0.067	[Flavone]-A(1OH, 3OMe)-B(2OH)	Flavone	Sideritiflavone
0.067	[Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavone	5,7,4'-Trihydroxy-6,8,3'-trimethoxyflavone
0.067	[Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavone	5,7,3'-Trihydroxy-6,8,4'-trimethoxyflavone
0.067	[Flavone]-A(2OH, 2OMe)-B(1OH, 1OMe)	Flavone	Thymonin
0.067	[Flavone]-A(1OH, 3OMe)-B(2OH)	Flavone	Tamadone
0.056	[2'-Hydroxychalcone]-A(2OH, 3OMe)-B(1OMe)	2'-Hydroxychalcone	2',5'-Dihydroxy-4,3',4',6'-tetramethoxychalcone
0.050	[Chalcone]-A(1OH, 4OMe)-B(1OH)	Chalcone	4,3'-Hydroxy-2',4',5',6'-methoxychalcone
0.050	[Flavanone]-A(1OH, 2OMe)-B(2OMe)	Flavanone	Agestricin C
0.050	[Flavanone]-A(1OH, 2OMe)-B(2OMe)	Flavanone	5-Hydroxy-6,7,3',4'-tetramethoxyflavanone
0.050	[Flavanone]-A(1OH, 3OMe)-B(1OMe)	Flavanone	5-Hydroxy-6,7,8,4'-tetramethoxyflavanone
0.050	[Flavanone]-A(3OMe)-B(1OH, 1OMe)	Flavanone	Agecorynin E
0.040	[Flavonol]-A(2OH, 1OMe)-B(2OMe)	Flavonol	Quercetagetin 6,3',4'-trimethyl ether
0.040	[Flavonol]-A(2OH, 1OMe)-B(2OMe)	Flavonol	Quercetagetin 7,3',4'-trimethyl ether
0.040	[Flavonol]-A(2OH, 1OMe)-B(2OMe)	Flavonol	3,5,8-Trihydroxy-7,2',3'-trimethoxyflavone
0.040	[Flavonol]-A(2OH, 1OMe)-B(2OMe)	Flavonol	Gossypetin 8,3',4'-trimethyl ether
0.040	[Flavonol]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavonol	Veronicafolin
0.040	[Flavonol]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavonol	Eupatin
0.040	[Flavonol]-A(1OH, 2OMe)-B(1OH, 1OMe)	Flavonol	3,5,2'-Trihydroxy-7,8,4'-trimethoxyflavone
0.040	[Flavonol]-A(1OH, 3OMe)-B(1OH)	Flavonol	3,5,4'-Trihydroxy-6,7,8-trimethoxyflavone
0.000	[Dihydrochalcone]-A(2OH)-B(1OH, 1(2,3-Dihydroxy-3-methylbutyl))	Dihydrochalcone	Brosimacutin H
0.000	[Dihydrochalcone]-A(1OH)-B(2OH, 1(2,3-Dihydroxy-3-methylbutyl))	Dihydrochalcone	Brosimacutin I
0.000	[Flavanone]-A(2OH, 2Methyl)-B(1OH, 2OMe)	Flavanone	5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone
0.000	[Flavanone]-A(2OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavanone	Agamanone
0.000	[Dihydroflavonol]-A(2OH)-B(1OH, 1OMe)-C(1(O-Acetyl))	Dihydroflavonol	Dihydroisorhamnetin 3-O-acetate
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(2OH)-C(1(O-Acetyl))	Dihydroflavonol	Padmatin 3-O-acetate
0.000	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)-C(1(O-Acetyl))	Dihydroflavonol	6-Methoxyaromadendrin 3-O-acetate
0.000	[Dihydroflavonol]-A(2OH, 1OMe)-B(1OH)-C(1(O-Acetyl))	Dihydroflavonol	3,5,7,4'-Tetrahydroxy-8-methoxyflavanone 3-O-acetate
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH, 2OMe)	Flavonol	Myricetin 3,3',4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH, 2OMe)	Flavonol	Myricetin 3,3',5'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavonol	7,4',5'-Trihydroxy-3,5,3'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Myricetin 3,7,3'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Myricetin 3,7,4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH, 1OMe)	Flavonol	6-C-Methylmyricetin 3,4'-dimethyl ether
0.000	[Flavonol]-A(2OH, 2Methyl)-B(2OH, 1OMe)	Flavonol	6,8-Di-C-methylmyricetin 4'-methyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(3OH)	Flavonol	6,8-Di-C-methylmyricetin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Oxyayanin A
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Chrysosplenol F
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavonol	Apuleidin
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH)	Flavonol	5,2',3'-Trihydroxy-3,6,7-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Jaceidin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Chrysosplenol C
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Centaureidin
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH)	Flavonol	Quercetagetin 3,5,7-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Quercetagetin 3,6,3'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Quercetagetin 3,6,4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH)	Flavonol	Chrysosplenol D
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Quercetagetin 3,7,3'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Oxyayanin-B
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH)	Flavonol	5,2',3'-Trihydroxy-3,7,8-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	5,7,2'-Trihydroxy-3,6,4'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH)	Flavonol	5,2',5'-Trihydroxy-3,7,8-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Gossypetin 3,7,3'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(2OH)	Flavonol	Gossypetin 3,7,8-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Gossypetin 3,8,3'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(3OH, 1OMe)-B(1OMe)	Flavonol	5,7,8-Trihydroxy-3,6,4'-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH)	Flavonol	5,8,4'-Trihydroxy-3,6,7-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(1OH)	Flavonol	Sarothrin
0.000	[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(6-Hydroxy-4-methyldihydropyrano)))-B(2OH)	Flavan 3-ol	Pyranochromene
0.000	[CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan]-A(2OH)-B(2OH, 1OMe)	CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan	Elaeocyanidin
0.000	[Flavan 3,4-diol (3,4-OMe)]-A(1OMe)-B(2OMe)	Flavan 3,4-diol	Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(2OMe)-B(2OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan	Abruquinone A