ピーク情報

トマト Micro-Tom 花

pos

Peak #6181 MN MID: SE203_S31_M90

m/z: 503.19216, RT: 43.54, 強度: 289003, ログ強度: 1.80, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 17

DB検索結果: (10 names) Deoxytryptoquialanine;Asp f I;Limonexic acid;Flavaprin;Massonianoid A;Abacopterin B;(-)-Abacopterin B;Abacopterin A;(-)-Abacopterin A;Limonexic acid

DBごとのヒット数: ALL 8 KN 7 HM 1

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

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
C27H26O6N4	502.18523	-0.698	Deoxytryptoquialanine	KNApSAcK: C00052257
C27H26O6N4	502.18523	-0.698	Tryptoquivaline I	HMDB: HMDB0260310 KNApSAcK: C00023562
C26H30O10	502.18390	1.965	Phellodensin F	FlavonoidViewer: FL2FAAGI0002 KNApSAcK: C00014360 LipidMAPS: LMPK12140229
C26H30O10	502.18390	1.965	Limonexic acid	KNApSAcK: C00041044
C26H30O10	502.18390	1.965	Massonianoid A	KNApSAcK: C00051494
C26H30O10	502.18390	1.965	Abacopterin B	KNApSAcK: C00041301
C26H30O10	502.18390	1.965	Limonexic acid	HMDB: HMDB0036075
C26H30O10	502.18390	1.965	Abacopterin A	KNApSAcK: C00041300

MSnスペクトル情報

Level: 2, プリカーサーm/z: 503.19113

Splash: splash10-00di-0109000000-f9ee1f590fbb19b98056

m/z	Int.	NL	Rel.Int.
323.17	38317	180	1000
311.17	13309	192	347
341.12	7416	162	193
160.96	4104	342	107
175.08	2932	328	76
291.17	2633	212	68

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: 323.14288

Splash: splash10-03dl-0970000000-e74cfe245e7e40ac2f68

m/z	Int.	NL	Rel.Int.
161.03	6541	162	1000
291.14	4428	32	676
295.28	592	28	90
199.14	515	124	78
263.19	410	60	62
259.05	395	64	60
308.08	347	15	53
136.99	333	186	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.167	[Flavanone]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Abyssinone I
0.167	[2'-Hydroxychalcone]-A(2OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	2'-Hydroxychalcone	Kanzonol B
0.105	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavanone	4'-Hydroxyisolonchocarpin
0.105	[2'-Hydroxychalcone]-A(2OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	2'-Hydroxychalcone	Flemichapparin A
0.105	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Isobavachromene
0.105	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Bavachromene
0.091	[Flavone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavone	Kanzonol D
0.091	[Flavone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavone	Licoflavone A
0.087	[Isoflavone]-A(1OH)-B(1OH, 1(C-Prenyl))	Isoflavone	Neobavaisoflavone
0.071	[Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Pterocarpan	Neorautenol
0.071	[Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Phaseollin
0.071	[Pterocarpan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Pterocarpan	Isoneorautenol
0.063	[Chalcone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Chalcone	Munsericin
0.048	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Derricin
0.045	[Flavanone]-A(1OMe, 1(C-Prenyl))-B(none)	Flavanone	Isoderricin A
0.043	[Flavone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavone	7,4'-Dihydroxy-8-prenylflavone
0.043	[Flavone]-A(2OH, 1(C-Prenyl))-B(none)	Flavone	5,7-Dihydroxy-8-prenylflavone
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavanone	Obovatin
0.000	[Dihydroflavonol]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Dihydroflavonol	3-Hydroxyisolonchocarpin
0.000	[Flavan 3-ol]-A(4OH)-B(2OH)	Flavan 3-ol	Elephantorrhizol
0.000	[Chalcone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Chalcone	Ovalitenin C
0.000	[Flavone]-A(1([2,3:@@]-Furano))-B(2OMe)	Flavone	Millettocalyxin C
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe)	Flavonol	3,4'-Dimethoxyfurano[2,3:7,8]flavone
0.000	[Flavan 3,4-diol]-A(2OH)-B(3OH)	Flavan 3,4-diol	Gallocatechin-4-ol
0.000	[isoflavene]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	isoflavene	Glabrene

Level: 3, プリカーサーm/z: 311.20685

Splash: splash10-004i-0390000000-c580fbb1ede7eb977fe7

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2-Benzyl-2-hydroxydihydrobenzofuran (2,3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	2-Benzyl-2-hydroxydihydrobenzofuran	Castillene B
[Dihydrochalcone beta-ol (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Dihydrochalcone beta-ol	Ovalitenin B
[Flavone]-A(2OH, 1(2-Oxoethyl))-B(none)	Flavone	6-(2-Oxoethyl)-5,7-dihydroxyflavone
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	Isoflavone	Maximaisoflavone A
[Coumestan]-A(1OMe)-B(1([@@]-Methylenedioxy))	Coumestan	Flemichapparin C

m/z	Int.	NL	Rel.Int.
279.19	2535	32	1000
187.07	794	124	313
251.18	470	60	185
296.20	229	15	90
148.97	211	162	83
160.97	165	150	65
280.20	157	31	61