ピーク情報

トマト Micro-Tom 成熟果実の果肉

pos

Peak #2620 MN MID: SE203_S21_M90

m/z: 503.14554, RT: 33.13, 強度: 3157, ログ強度: 0.02, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4

DB検索結果: (2 names) (1S,3R,4R,5R)-1-[[(1R,2S)-2-(4-Chlorophenyl)cyclopropyl]methoxy]-3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid;5-S-glutathionyl-L-DOPA

DBごとのヒット数: ALL 2 HM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.095

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
C26H27O8Cl	502.13945	-2.358	(1S,3R,4R,5R)-1-[[(1R,2S)-2-(4-Chlorophenyl)cyclopropyl]methoxy]-3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid	HMDB: HMDB0260099
C19H26O10N4S	502.13696	2.585	5-S-glutathionyl-L-DOPA	HMDB: HMDB0062425

MSnスペクトル情報

Level: 2, プリカーサーm/z: 503.14584

Splash: splash10-0a4i-0000900000-7e0bd3d769cccf1fe110

m/z	Int.	NL	Rel.Int.
405.29	12794	98	1000
359.17	673	144	52

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2'-Hydroxychalcone]-A(2OH, 1(1(O-Coumaroyl)-(E)-4-hydroxyprenyl))-B(2OH)	2'-Hydroxychalcone	Demethoxyisogemichalcone C
[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cycloheterophyllin
[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(1([2,3:@@]-(6,6-Dimethylpyrano))))	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artonin N
[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Artonin F
[CCS-type derivative / [2,2a,5:3',2',3]-7-Methyl-7-(4-Methyl-3-pentenyl)tetrahydroisobenzofuranoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	CCS-type derivative / [2,2a,5:3',2',3]-7-Methyl-7-(4-Methyl-3-pentenyl)tetrahydroisobenzofuranoflavone	Artonin M
[UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1(C-Prenyl))	UBR-type derivative / [3',6']-Benzoquinonyl-type [2',3]-Isopropenylethanoflavone	Artonin O
[Coumaranochromon]-A(2OH, 2(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Coumaranochromon	Euchretin A

Level: 3, プリカーサーm/z: 405.28732

Splash: splash10-0ikc-0279000000-b2cf0f93801840d7af68

m/z	Int.	NL	Rel.Int.
261.10	1691	144	1000
343.23	1042	62	615
303.22	862	102	509
387.28	475	18	281
243.17	316	162	186
345.30	249	60	147
184.06	236	221	139
257.17	119	148	70
174.94	105	230	61
130.07	101	275	59
177.06	100	228	59
159.11	89	246	52

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.105	[Dihydroflavonol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Dihydroflavonol	MS II
0.100	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Euchrenone a1
0.095	[Flavanone]-A(3OMe)-B(3OMe)	Flavanone	5,6,7,3',4',5'-Hexamethoxyflavanone
0.087	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	2'-Hydroxychalcone	Glyinflanin G
0.050	[Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Chalcone	Laxichalcone
0.037	[Flavonol]-A(1OH, 3OMe)-B(2OMe)	Flavonol	3,5-Dihydroxy-6,7,8,3',4'-pentamethoxyflavone
0.000	[Flavone]-A(1OH, 2OMe)-B(1OH, 3OMe)	Flavone	Psiadiarabicin
0.000	[Flavone]-A(1OH, 3OMe)-B(1OH, 2OMe)	Flavone	Gardenin C
0.000	[Flavone]-A(1OH, 3OMe)-B(1OH, 2OMe)	Flavone	5,4'-Dihydroxy-6,7,8,3',5'-pentamethoxyflavone
0.000	[Flavone]-A(1OH, 3OMe)-B(1OH, 2OMe)	Flavone	Agehoustin F
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6-Methyl-6-(4-Hydroxy-4-methyl-2-pentenyl)pyrano)))-B(none)	2'-Hydroxychalcone	Boesenbergin A
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6-Methyl-6-(4-Hydroxy-4-methyl-2-pentenyl)pyrano)))-B(none)	2'-Hydroxychalcone	Boesenbergin B
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([@@]-Methylenedioxy))-B(1OH, 3OMe)	2'-Hydroxychalcone	2,2'-Dihydroxy-3,4,5,6'-tetramethoxy-3',4'-methylenedioxychalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	beta-Hydroxy(or Oxodihydro)chalcone	Glyinflanin D
0.000	[Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(none)	Dihydrochalcone	Calomelanol C
0.000	[Dihydrochalcone]-A(2OH, 1([2,3:@@]-(4-Phenyl-4,5-dihydro-6-oxopyrano)))-B(1OH)	Dihydrochalcone	Calomelanol B
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavone	Fulvinervin C
0.000	[Flavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavone	Laxifolin
0.000	[Flavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavone	Isolaxifolin
0.000	[Flavonol]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavonol	Sericetin
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe)	Flavonol	Apuleirin
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe)	Flavonol	Murrayanol
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe)	Flavonol	5,3'-Dihydroxy-3,6,7,4',5'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(2OH, 1OMe)	Flavonol	Apulein
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe)	Flavonol	6,5'-Dihydroxy-3,5,7,2',4'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe)	Flavonol	6,2'-Dihydroxy-3,5,7,4',5'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe)	Flavonol	5,5'-Dihidroxy-3,6,7,2',4'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(1OH, 2OMe)	Flavonol	Brickellin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OMe)	Flavonol	Distemonatin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OMe)	Flavonol	Conyzatin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(3OMe)	Flavonol	5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 1OMe)	Flavonol	5,4'-Dihydroxy-3,6,7,8,3'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 1OMe)	Flavonol	5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 2OMe)-B(2OMe)	Flavonol	5,7-Dihydroxy-3,6,8,3',4'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 1OMe)	Flavonol	5,4'-Dihydroxy-3,6,7,8,2'-pentamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 3OMe)-B(1OH, 1OMe)	Flavonol	5,2'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone
0.000	[4-substituted Flavan (4-(4-Hydroxystyryl))]-A(2OMe)-B(1OH)	4-substituted Flavan	4'-Hydroxy-4-(4-hydroxystyryl)-5,7-dimethoxyflavan
0.000	[Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Osajin
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1(C-Prenyl))	Isoflavone	Chandalone
0.000	[Isoflavone]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Isoflavone	Warangalone
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Isochandalone
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Ulexone A
0.000	[Coumestan]-A(1OH, 1Geranyl)-B(1OH)	Coumestan	Puerarol
0.000	[4-phenylcoumarin]-A(1([2,3:@@]-(6,6-Dimethylpyrano)), 1([2,3:@@]-(5,6-Dimethyl-4-hydroxydihydropyrano)))-B(none)	4-phenylcoumarin	Inophyllolide chromanol
0.000	[4-phenylcoumarin]-A(1OH, 1(C-Prenyl), 1([2,3:@@]-(5,6-Dimethyl-4-oxodihydropyrano)))-B(none)	4-phenylcoumarin	5-Hydroxy-10-prenyl-7,8-dihydro-7,8-trans-dimethyl-4-phenyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione
0.000	[4-phenylcoumarin]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Isovaleryl)-B(none)	4-phenylcoumarin	Mammeigin
0.000	[4-phenylcoumarin]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(2-Methylbutyroyl))-B(none)	4-phenylcoumarin	5-Hydroxy-6'',6''-dimethyl-6-(2-methylbutyryl)-4-phenylpyrano[2'',3'':7,8]coumarin