ピーク情報

＜アルコール飲料類＞（醸造酒類）ビール黒

pos

Peak #2885 MN MID: SE169_S160071_M90

m/z: 704.39946, RT: 46.20, 強度: 6451, ログ強度: 0.17, 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: (3 names) Citrusin I;Isaridin A;1-(4-Biphenylyl)-4(S)-hydroxy-5(S)-2,5-bis((N-(methoxycarbonyl-)-L-tert-leucinyl)amino)-6-phenyl-2-azahexane

DBごとのヒット数: ALL 3 KN 2 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: -

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
C34H53O9N7	703.39048	2.427	Citrusin I	HMDB: HMDB0303680 KNApSAcK: C00054931
C39H53O7N5	703.39450	-3.292	1-(4-Biphenylyl)-4(S)-hydroxy-5(S)-2,5-bis((N-(methoxycarbonyl-)-L-tert-leucinyl)amino)-6-phenyl-2-azahexane	HMDB: HMDB0259463
C39H53O7N5	703.39450	-3.292	Isaridin A	KNApSAcK: C00039421

MSnスペクトル情報

Level: 2, プリカーサーm/z: 704.39807

Splash: splash10-0006-0009314000-c7057a4b9d396453d008

m/z	Int.	NL	Rel.Int.
343.27	2875	361	1000
490.34	1154	214	401
629.44	916	75	318
686.36	457	18	158
572.35	434	132	150
211.11	174	493	60
611.35	147	93	51

Level: 3, プリカーサーm/z: 343.26535

Splash: splash10-03di-0290000000-4242640d9af5f63148b1

m/z	Int.	NL	Rel.Int.
211.03	1181	132	1000
183.12	424	160	359
268.22	79	75	67
246.17	70	97	59

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavone]-A(1OH)-B(3OH)	Flavone	7,2',4',5'-Tetrahydroxyflavone
[Flavone]-A(2OMe)-B(2OMe)	Flavone	Zapotin
[Flavone]-A(2OMe)-B(2OMe)	Flavone	Cerrosillin
[Flavone]-A(2OMe)-B(2OMe)	Flavone	5,7,2',5'-tetramethoxyflavone
[Flavone]-A(2OMe)-B(2OMe)	Flavone	Luteolin 5,7,3',4'-tetramethyl ether
[Flavone]-A(2OMe)-B(2OMe)	Flavone	Norartocarpetin 5,7,2',4'-tetramethyl ether
[Flavone]-A(3OMe)-B(1OMe)	Flavone	Scutellarein 5,6,7,4'-tetramethyl ether
[Flavone]-A(3OMe)-B(1OMe)	Flavone	4',5,7,8-Tetramethoxyflavone
[Flavone]-A(4OMe)-B(none)	Flavone	5,6,7,8-Tetramethoxyflavone
[Isoflavone]-A(1OMe)-B(3OMe)	Isoflavone	7,2',4',5'-Tetramethoxyisoflavone
[Isoflavone]-A(2OMe)-B(2OMe)	Isoflavone	6,7,3',4'-Tetramethoxyisoflavone
[Aurone]-A(2OMe)-B(2OMe)	Aurone	4,6,3',4'-Tetramethoxyaurone
[Chalcone]-A(3OMe)-B(1([@@]-Methylenedioxy))	Chalcone	3,4-Methylenedioxy-2',4',6'-trimethoxychalcone
[alpha-Methyl-beta-oxodihydrochalcone]-A(2OMe)-B(1Oxo, 1Methyl, 1([@@]-Methylenedioxy))	alpha-Methyl-beta-oxodihydrochalcone	Tinosporinone
[Flavanone]-A(1OH, 1(3-hydroxy-3-methylbutyl))-B(1OH)	Flavanone	Brosimacutin C
[Flavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Flavone	2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one
[Flavone]-A(2OH, 2Methyl)-B(2OMe)	Flavone	5,7-Dihydroxy-3',4'-dimethoxy-6,8-dimethylflavone
[Flavonol (3-OMe)]-A(1OMe)-B(2OMe)	Flavonol	Fisetin tetramethyl ether
[Flavonol (3-OMe)]-A(2OMe)-B(1OMe)	Flavonol	Tetramethylkaempferol
[Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OMe)	Flavonol	8-Desmethylkalmiatin
[Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OH)	Flavonol	6,8-Di-C-methylkaempferol 3,7-dimethyl ether
[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Flavonol	5-Hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone
[Flavonol (3-OMe)]-A(3OMe)-B(none)	Flavonol	3,5,6,7-Tetramethoxyflavone
[Flavonol]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe)	Flavonol	3-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyflavone
[Flavonol (3-OMe)]-A(3OMe)-B(none)	Flavonol	3,5,7,8-Tetramethoxyflavone
[Flavan 3-ol]-A(1OH, 1([2,3:@@]-(6-Oxopyrano)))-B(2OH)	Flavan 3-ol	Phyllocoumarin
[Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	6-Hydroxy-7,2'-dimethoxy-4',5'-methylenedioxyisoflavone
[Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Dalpatein
[Isoflavone]-A(1OH, 1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Maximaisoflavone F
[Isoflavone]-A(1OH, 1OMe, 1Methyl)-B(2OMe)	Isoflavone	5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone
[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Isoflavone	Isoiriskashmirianin
[Isoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Dipteryxine
[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	Squarrosin
[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Isoflavone	Iriskashmirianin
[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Isoflavone	Iriskumaonin
[Isoflavone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Platycarpanetin
[Pterocarpene]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Pterocarpene	Leiocalycin
[Pterocarpene]-A(1OMe)-B(3OMe)	Pterocarpene	Bryacarpene 3
[Rotenone]-A(1OMe)-B(2OMe)	Rotenone	Munduserone
[4-phenylcoumarin]-A(1OH, 1OMe, 1Formyl)-B(1OH, 1OMe)	4-phenylcoumarin	7,3'-Dihydroxy-5,4'-dimethoxy-6-formyl-4-phenylcoumarin
[4-phenylcoumarin]-A(1OH, 1OMe, 1Formyl)-B(1OH, 1OMe)	4-phenylcoumarin	Sisafolin

Level: 3, プリカーサーm/z: 490.33997

Splash: splash10-066v-0059600000-d134ae80b483b5a592cc

m/z	Int.	NL	Rel.Int.
358.28	111	132	1000
415.21	100	75	900
343.15	81	147	725
245.01	46	245	414
387.36	42	103	377
246.26	39	244	354
472.31	34	18	302
211.19	33	279	298
217.14	30	273	266
481.51	15	9	134
433.11	9	57	76