ピーク情報

リーフレタスグリーン

pos

Peak #7018 MN MID: SE198_S12_M90

m/z: 695.29404, RT: 44.72, 強度: 32094, ログ強度: 1.01, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 11

DB検索結果: Pegdinetanib

DBごとのヒット数: ALL 1 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.150

安定同位体ラベル実験で見積もられた原子数:

N: 4

S: 0

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
C27H46O13N6S	694.28436	3.469	Pegdinetanib	HMDB: HMDB0256201

MSnスペクトル情報

Level: 2, プリカーサーm/z: 695.29291

Splash: splash10-00b9-0003009000-151906ec8b5bb172fbb0

m/z	Int.	NL	Rel.Int.
677.24	3215	18	1000
373.14	2219	322	690
659.28	1166	36	362
676.58	508	19	158
341.15	314	354	97
645.42	312	50	97
651.26	292	44	90
663.31	218	32	67

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavanone]-A(2OH, 1((1S)-3-(4-methyl-3-pentenyl)-5beta-(2,4-dihydroxyphenyl)-6alpha-(2,4-dihydroxybenzoyl)-2-cyclohexene-1beta-yl))-B(2OH)	Flavanone	Sanggenon G

Level: 3, プリカーサーm/z: 677.21649

Splash: splash10-05fr-0009007000-4d245ca3c982cba4e3e9

m/z	Int.	NL	Rel.Int.
373.23	822	304	1000
659.49	448	18	545
645.34	253	32	308
341.25	212	336	257
658.83	115	18	140
627.24	86	50	104

Level: 3, プリカーサーm/z: 373.15338

Splash: splash10-01ox-0009000000-79fd2403f5859a88366a

m/z	Int.	NL	Rel.Int.
341.11	552	32	1000
313.25	379	60	687
355.26	65	18	117

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.150	[Isoflavone]-A(2OMe)-B(3OMe)	Isoflavone	6,7,3',4',5'-Pentamethoxyisoflavone
0.150	[Isoflavone]-A(2OMe)-B(3OMe)	Isoflavone	6,7,2',3',4'-Pentamethoxyisoflavone
0.150	[Isoflavone]-A(2OMe)-B(3OMe)	Isoflavone	6,7,2',4',5'-Pentamethoxyisoflavone
0.150	[Isoflavone]-A(2OMe)-B(3OMe)	Isoflavone	Robustigenin methyl ether
0.071	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH)	Dihydroflavonol	6-Prenyltaxifolin
0.000	[Flavone]-A(2OMe)-B(3OMe)	Flavone	Prosogerin C
0.000	[Flavone]-A(2OMe)-B(3OMe)	Flavone	7,8,3',4',5'-Pentamethoxyflavone
0.000	[Flavone]-A(2OMe)-B(3OMe)	Flavone	5,6,2',3',6'-Pentamethoxyflavone
0.000	[Flavone]-A(2OMe)-B(3OMe)	Flavone	Cerosilin B
0.000	[Flavone]-A(2OMe)-B(3OMe)	Flavone	5,6,2',3',4'-Pentamethoxyflavone
0.000	[Flavone]-A(2OMe)-B(3OMe)	Flavone	Tricetin 5,7,3',4',5'-pentamethyl ether
0.000	[Flavone]-A(2OMe)-B(3OMe)	Flavone	5,7,2',3',4'-Pentamethoxyflavone
0.000	[Flavone]-A(2OMe)-B(3OMe)	Flavone	5,7,2',4',6'-Pentamethoxyflavone
0.000	[Flavone]-A(3OMe)-B(2OMe)	Flavone	Sinensetin
0.000	[Flavone]-A(3OMe)-B(2OMe)	Flavone	Isosinensetin
0.000	[Flavone]-A(4OMe)-B(1OMe)	Flavone	Tangeretin
0.000	[2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(5-(p-Hydroxyphenyl)furano)))	2'-Hydroxychalcone	Lophirone E
0.000	[beta-Hydroxy(or Oxodihydro)chalcone (2-OMe)]-A(1([@@]-Methylenedioxy))-B(3OMe)	beta-Hydroxy(or Oxodihydro)chalcone	3',4'-Methylenedioxy-2,4,6,beta-tetramethoxychalcone
0.000	[Flavanone]-A(1OH)-B(1([2,3:@@]-(5-(p-Hydroxyphenyl)furano)))	Flavanone	7-Hydroxy-(5-(p-Hydroxyphenyl)furano)[2,3:4',3'])flavanone
0.000	[Flavanone]-A(2OH, 1((E)-4-Hydroxyprenyl))-B(2OH)	Flavanone	Licoleafol
0.000	[Flavanone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Flavanone	Sigmoidin D
0.000	[3-substituted Flavone (3-(3-Methylbutyl))]-A(2OH)-B(3OH)	3-substituted Flavone	Asplenetin
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(1OMe)	Flavonol	Auranetin
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(2OMe)	Flavonol	3,5,7,2',6'-Pentamethoxyflavone
0.000	[Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH)	Flavonol	6-(3-hydroxy-3-methylbutyl)kaempferol
0.000	[Flavonol]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(1OH)	Flavonol	Noricaritin
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(2OMe)	Flavonol	Quercetin pentamethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(2OMe)	Flavonol	2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 2Methyl)-B(1OH, 1OMe)	Flavonol	5,4'-Dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Melisimplin
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(1OMe)	Flavonol	Herbacetin pentamethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Flavonol	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	Flavonol	5-Hydroxy-3,7,8-trimethoxy-3',4'-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(4OMe)-B(none)	Flavonol	3,5,6,7,8-Pentamethoxyflavone
0.000	[Flavan 3,4-diol]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavan 3,4-diol	3,4,7,4'-Tetrahydroxy-5-methoxy-8-prenylflavan
0.000	[Isoflavone]-A(2OH, 1(3-hydroxy-3-methylbutyl))-B(2OH)	Isoflavone	2,3-Dehydrokievitone hydrate
0.000	[Isoflavanone]-A(2OH, 1((Z)-4-hydroxyprenyl))-B(2OH)	Isoflavanone	Kievitol
0.000	[6-Hydroxydehydrorotenone]-A(3OH)-B(1OH)-C(1(O-Acetyl))	6-Hydroxydehydrorotenone	3,6,9,10,11-Pentahydroxydehydrorotenone 6-O-acetate
0.000	[6-Hydroxydehydrorotenone]-A(1OH, 1OMe)-B(2OMe)	6-Hydroxydehydrorotenone	Stemonal