ピーク情報

＜アルコール飲料類＞（醸造酒類）ビール黒

pos

Peak #3297 MN MID: SE169_S160071_M90

m/z: 307.14400, RT: 64.30, 強度: 1227, ログ強度: -0.55, 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: (7 names) O-Isopentenylhalfordinol;3-Oxo-14,15-dehydrorhazinilam;3-(3,3-Diindolyl)propane-1,2-triol;2,5-Dibenzyl-3-hydroxy-6-methoxypyrazine;Diphenylalazine A;(+)-Diphenylalazine A;Nb-p-Coumaroyltryptamine

DBごとのヒット数: ALL 6 KN 4 HM 2

FlavonoidSearch最大スコア MS2: 0.167, MS3: 0.214

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
C19H18O2N2	306.13683	-0.325	O-Isopentenylhalfordinol	HMDB: HMDB0030308
C19H18O2N2	306.13683	-0.325	14,15-Didehydro-3-oxorhazinilam	HMDB: HMDB0039105 KNApSAcK: C00054167
C19H18O2N2	306.13683	-0.325	3-(3,3-Diindolyl)propane-1,2-triol	KNApSAcK: C00011198
C19H18O2N2	306.13683	-0.325	2,5-Dibenzyl-3-hydroxy-6-methoxypyrazine	HMDB: HMDB0041543 KNApSAcK: C00054708
C19H18O2N2	306.13683	-0.325	Diphenylalazine A	KNApSAcK: C00047847
C19H18O2N2	306.13683	-0.325	Nb-p-Coumaroyltryptamine	HMDB: HMDB0041518

MSnスペクトル情報

Level: 2, プリカーサーm/z: 307.14423

Splash: splash10-0a4i-0910000000-d9867b9dc813c6387f46

m/z	Int.	NL	Rel.Int.
159.02	8562	148	1000
289.19	1829	18	213

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.167	[Flavan 3-ol]-A(2OH)-B(3OH)	Flavan 3-ol	Gallocatechin
0.071	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Isolonchocarpin
0.071	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Lonchocarpin
0.000	[Aurone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Aurone	3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone
0.000	[Flavan 3,4-diol]-A(1OH)-B(3OH)	Flavan 3,4-diol	3,4,7,3',4',5'-Hexahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(2OH)	Flavan 3,4-diol	3,4,7,8,3',4'-Hexahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(2OH)	Flavan 3,4-diol	Catechin-4-ol
0.000	[Pterocarpene]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpene	Neoduleen

Level: 3, プリカーサーm/z: 159.01680

Splash: splash10-004i-0900000000-7f4a71bd38b8eb51e436

m/z	Int.	NL	Rel.Int.
129.95	950	29	1000
159.09	63	-0	66

Level: 3, プリカーサーm/z: 289.19049

Splash: splash10-08fr-0920000000-49048c39ce0368626ae5

m/z	Int.	NL	Rel.Int.
160.07	428	129	1000
159.09	372	130	868
261.02	89	28	207
271.22	83	18	193
247.03	32	42	73

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.214	[2'-Hydroxychalcone]-A(2OH)-B(3OH)	2'-Hydroxychalcone	Robtein
0.214	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Neoplathymenin
0.214	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	Okanin
0.200	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Plathymenin
0.200	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Isookanin
0.182	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	Aromadendrin
0.167	[2'-Hydroxychalcone]-A(3OH)-B(2OH)	2'-Hydroxychalcone	3,4,2',4',6'-Pentahydroxychalcone
0.167	[Isoflavanone]-A(2OH)-B(2OH)	Isoflavanone	Dalbergioidin
0.154	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',6'-Tetrahydroxyflavanone
0.154	[Flavanone]-A(2OH)-B(2OH)	Flavanone	5,7,2',5'-Tetrahydroxyflavanone
0.154	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Eriodictyol
0.154	[Flavanone]-A(2OH)-B(2OH)	Flavanone	Steppogenin
0.154	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Carthamidin
0.154	[Flavanone]-A(3OH)-B(1OH)	Flavanone	Isocarthamidin
0.125	[Dihydroflavonol]-A(1OH)-B(2OH)	Dihydroflavonol	Fustin
0.125	[Dihydroflavonol]-A(2OH)-B(1OH)	Dihydroflavonol	3,5,7,2'-Tetrahydroxyflavanone
0.000	[Dihydrochalcone]-A(1OH)-B(2OH, 1OMe)	Dihydrochalcone	Loureirin D
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OH)	Dihydrochalcone	Asebogenin
0.000	[Dihydrochalcone]-A(2OH, 1OMe)-B(1OH)	Dihydrochalcone	4,2',4'-Trihydroxy-6'-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH, 1OMe)-B(2OH)	Dihydrochalcone	Dihydrocalythropsin
0.000	[Dihydrochalcone]-A(2OH)-B(1OH, 1OMe)	Dihydrochalcone	4,2',4'-Trihydroxy-3-methoxydihydrochalcone
0.000	[Dihydrochalcone]-A(3OH)-B(1OMe)	Dihydrochalcone	2',4',6'-Trihydroxy-4-methoxydihydrochalcone
0.000	[Auronol]-A(1OH)-B(2OH)	Auronol	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
0.000	[Auronol]-A(2OH)-B(1OH)	Auronol	Maesopsin
0.000	[alpha-Hydroxychalcone]-A(2OH)-B(2OH)	alpha-Hydroxychalcone	3,4,2',4',alpha-Pentahydroxychalcone
0.000	[Dihydrochalcone alpha-ol]-A(1OH, 1OMe)-B(1OH)	Dihydrochalcone alpha-ol	4,4',alpha-Trihydroxy-2'-methoxydihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(1OMe)	Dihydrochalcone alpha-ol	2',4',alpha-Trihydroxy-4-methoxydihydrochalcone
0.000	[2-Hydroxyflavanone]-A(2OH)-B(1OH)	2-Hydroxyflavanone	2,5,7,4'-Tetrahydroxyflavanone
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(2OH)-B(1OH)	CCS-type derivative / [4,2']-Epoxyflavan 3-ol	Cyanomaclurin
0.000	[CCS-type derivative / [4,2']-Epoxyflavan 3-ol]-A(1OH)-B(2OH)	CCS-type derivative / [4,2']-Epoxyflavan 3-ol	6,12-Mehthano-6H,12H-dibenzo[b,f][1,5]dioxocin-2,3,9,13-tetrol
0.000	[Flavan]-A(1OH)-B(2OH, 1OMe)	Flavan	7,3',5'-Trihydroxy-4'-methoxyflavan