ピーク情報

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Peak #5012 MN MID: SE205_S02_M90

m/z: 291.09754, RT: 46.17, 強度: 56686, ログ強度: 1.23, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 7

DB検索結果: (2 names) N-Malonyltryptophan;(Indol-3-yl)acetyl-L-aspartate

DBごとのヒット数: ALL 2 KG 2

FlavonoidSearch最大スコア MS2: 0.167, MS3: 0.222

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
C14H14O5N2	290.09027	-0.021	N-Malonyltryptophan	HMDB: HMDB0039500 KEGG: C03414 KNApSAcK: C00000118
C14H14O5N2	290.09027	-0.021	(Indol-3-yl)acetyl-L-aspartate	HMDB: HMDB0038666 KEGG: C22224 KNApSAcK: C00000117

MSnスペクトル情報

Level: 2, プリカーサーm/z: 291.09720

Splash: splash10-00di-0090000000-548372af42d4f9701ca0

m/z	Int.	NL	Rel.Int.
273.06	145099	18	1000
245.09	31398	46	216

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.167	[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	Mesquitol
0.167	[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	2-(2,5-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
0.167	[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	3,5,7,3',5'-Pentahydroxyflavan
0.167	[Flavan 3-ol]-A(2OH)-B(2OH)	Flavan 3-ol	Catechin
0.167	[Flavan 3-ol]-A(1OH)-B(3OH)	Flavan 3-ol	Robinetinidol
0.000	[Dihydrochalcone]-A(3OH)-B(2OH)	Dihydrochalcone	3,4,2',4',6'-Pentahydroxydihydrochalcone
0.000	[Dihydrochalcone alpha-ol]-A(3OH)-B(1OH)	Dihydrochalcone alpha-ol	Nubigenol
0.000	[Dihydrochalcone alpha-ol]-A(2OH)-B(2OH)	Dihydrochalcone alpha-ol	3,4,2',4',alpha-Pentahydroxydihydrochalcone
0.000	[Flavan 4-ol]-A(2OH)-B(2OH)	Flavan 4-ol	Luteoforol
0.000	[Flavan 3,4-diol]-A(1OH)-B(2OH)	Flavan 3,4-diol	3,4,7,3',4'-Pentahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(1OH)	Flavan 3,4-diol	3,4,7,8,4'-Pentahydroxyflavan
0.000	[Flavan 3,4-diol]-A(2OH)-B(1OH)	Flavan 3,4-diol	3,4,5,7,4'-Pentahydroxyflavan

Level: 3, プリカーサーm/z: 273.05957

Splash: splash10-0006-0090000000-e8fe40c7ac37d0152240

m/z	Int.	NL	Rel.Int.
244.99	133587	28	1000
255.03	11359	18	85

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.222	[Isoflavanone]-A(1OH)-B(2OH)	Isoflavanone	2'-Hydroxydihydrodaidzein
0.200	[Dihydroflavonol]-A(2OH)-B(none)	Dihydroflavonol	Pinobanksin
0.200	[Dihydroflavonol]-A(1OH)-B(1OH)	Dihydroflavonol	Garbanzol
0.167	[Flavan 3-ol]-A(1OMe)-B(1OH)	Flavan 3-ol	Guibourtinidol-7-methyl ether
0.167	[2'-Hydroxychalcone]-A(2OH)-B(2OH)	2'-Hydroxychalcone	Pseudosindorin
0.167	[2'-Hydroxychalcone]-A(2OH)-B(2OH)	2'-Hydroxychalcone	Butein
0.167	[2'-Hydroxychalcone]-A(2OH)-B(2OH)	2'-Hydroxychalcone	2,4,2',4'-Tetrahydroxychalcone
0.167	[2'-Hydroxychalcone]-A(3OH)-B(1OH)	2'-Hydroxychalcone	4,2',3',4'-Tetrahydroxychalcone
0.154	[Flavanone]-A(1OH)-B(2OH)	Flavanone	Butin
0.154	[Flavanone]-A(2OH)-B(1OH)	Flavanone	7,8,4'-Trihydroxyflavanone
0.143	[Pterocarpan]-A(2OH)-B(1OH)	Pterocarpan	4-Hydroxydemethylmedicarpin
0.100	[2'-Hydroxychalcone]-A(3OH)-B(1OH)	2'-Hydroxychalcone	Naringenin chalcone
0.091	[Flavanone]-A(3OH)-B(none)	Flavanone	Dihydrobaicalein
0.091	[Flavanone]-A(3OH)-B(none)	Flavanone	Dihydronorwogonin
0.091	[Flavanone]-A(2OH)-B(1OH)	Flavanone	5,8,4'-Trihydroxyflavanone
0.091	[Flavanone]-A(2OH)-B(1OH)	Flavanone	5,7,2'-Trihydroxyflavanone
0.091	[Flavanone]-A(2OH)-B(1OH)	Flavanone	5,7,3'-Trihydroxyflavanone
0.091	[Flavanone]-A(2OH)-B(1OH)	Flavanone	Naringenin
0.000	[Isoflavan]-A(1OH)-B(1OH, 1OMe)	Isoflavan	Vestitol
0.000	[Isoflavan]-A(1OH)-B(1OH, 1OMe)	Isoflavan	Isovestitol
0.000	[Isoflavan]-A(1OMe)-B(2OH)	Isoflavan	Neovestitol
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: 245.08554

Splash: splash10-004i-0290000000-c83b2e71cd580ed683ea

m/z	Int.	NL	Rel.Int.
227.00	16999	18	1000
201.03	3977	44	233
184.03	3515	61	206
185.08	1577	60	92
159.01	1187	86	69