ピーク情報

トマト Micro-Tom 成熟果実の果肉

pos

Peak #2126 MN MID: SE203_S21_M90

m/z: 383.14438, RT: 20.81, 強度: 4066, ログ強度: 0.13, 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: (4 names) 16-iodo-hexadecanoic acid;3-iodo-hexadecanoic acid;2-iodo-hexadecanoic acid;Benzyl edta

DBごとのヒット数: ALL 4 HM 1 LM 3

FlavonoidSearch最大スコア MS2: 0.065, MS3: 0.042

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
C16H31O2I	382.13688	0.578	16-iodo-hexadecanoic acid	LipidMAPS: LMFA01090039
C16H31O2I	382.13688	0.578	3-iodo-hexadecanoic acid	LipidMAPS: LMFA01090038
C16H31O2I	382.13688	0.578	2-iodo-hexadecanoic acid	LipidMAPS: LMFA01090037
C17H22O8N2	382.13762	-1.352	Benzyl edta	HMDB: HMDB0249072

MSnスペクトル情報

Level: 2, プリカーサーm/z: 383.14371

Splash: splash10-02t9-0089000000-06767cc5101b71214ef0

m/z	Int.	NL	Rel.Int.
365.19	6501	18	1000
263.08	4225	120	649
347.21	856	36	131
203.10	675	180	103
221.15	540	162	83
245.12	532	138	81
217.06	348	166	53
227.17	330	156	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.065	[Isoflavone]-A(1OH)-B(1OH, 2OMe, 1(C-Prenyl))	Isoflavone	Licoricone
0.031	[Isoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavone	7,3'-Dihydroxy-5,4'-dimethoxy-5'-prenylisoflavone
0.031	[Isoflavone]-A(2OH)-B(2OMe, 1(C-Prenyl))	Isoflavone	Piscerythrinetin
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Flavone	Artocarpetin B
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Pterocarpan	Desmodin
0.000	[CCS-type derivative / [2',3]-Isopropenylethanoflavone]-A(2OH)-B(2OH, 1OMe)	CCS-type derivative / [2',3]-Isopropenylethanoflavone	Artoindonesianin T
0.000	[CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone]-A(1OH, 1OMe)-B(2OH)	CCS-type derivative / [2,2a,5:3',2',3]-7,7-Dimethyltetrahydroisobenzofuranoflavone	Artonin K
0.000	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(none)-C(1(O-Acetyl))	Dihydroflavonol	6-Prenylpinobanksin 3-O-acetate
0.000	[Flavonol]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH, 1OMe)	Flavonol	Velloquercetin 4'-methyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH)	Flavonol	Velloquercetin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavonol	Sarothranol
0.000	[Pterocarpan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neoraucarpanol
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neorautanin
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-(5-(1-Hydroxymethylvinyl)dihydrofurano)))-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Hildecarpidin
0.000	[12a-Hydroxyrotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	12a-Hydroxypachyrrhizone
0.000	[12a-Hydroxyrotenone (3-OMe)]-A(1([2,3:@@]-Furano))-B(2OMe)	12a-Hydroxyrotenone	Neobanone
0.000	[Coumaranochromon]-A(2OH)-B(2OH, 1(C-Prenyl))	Coumaranochromon	Lisetin
0.000	[3-Phenylcoumarin]-A(2OMe, 1(C-Prenyl))-B(2OH)	3-Phenylcoumarin	Glycyrin

Level: 3, プリカーサーm/z: 365.19168

Splash: splash10-0udi-0093000000-336d9133b8f542afa67b

m/z	Int.	NL	Rel.Int.
203.04	3258	162	1000
348.24	934	17	286
347.19	352	18	107
157.02	201	208	61

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.042	[Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Isoflavone	Alpinumisoflavone dimethyl ether
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavone	Carpachromene dimethyl ether
0.000	[Coumestan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Coumestan	Gancaonin F
0.000	[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavonol	3,6-Dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone
0.000	[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavonol	3,5-Dimethoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
0.000	[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Robustone
0.000	[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	5-Hydroxy-3',4'-methylenedioxy-6'',6''-dimethylpyrano[2'',3'':7,8]isoflavone
0.000	[Dehydrorotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Dehydrorotenone	Dehydropachyrrhizone

Level: 3, プリカーサーm/z: 263.07541

Splash: splash10-0002-0090000000-19eba304afa4076f358a

m/z	Int.	NL	Rel.Int.
245.06	1420	18	1000
217.14	812	46	571
227.11	545	36	384
145.00	218	118	153