ピーク情報

トマト Micro-Tom 成熟果実の果皮

pos

Peak #2007 MN MID: SE203_S11_M90

m/z: 383.14432, RT: 20.57, 強度: 4277, ログ強度: 0.06, 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	0.426	16-iodo-hexadecanoic acid	LipidMAPS: LMFA01090039
C16H31O2I	382.13688	0.426	3-iodo-hexadecanoic acid	LipidMAPS: LMFA01090038
C16H31O2I	382.13688	0.426	2-iodo-hexadecanoic acid	LipidMAPS: LMFA01090037
C17H22O8N2	382.13762	-1.503	Benzyl edta	HMDB: HMDB0249072

MSnスペクトル情報

Level: 2, プリカーサーm/z: 383.14438

Splash: splash10-02t9-0079000000-2eb267daf20276bb462f

m/z	Int.	NL	Rel.Int.
365.20	8721	18	1000
263.18	5845	120	670
221.11	1019	162	116
347.20	986	36	113
203.08	886	180	101
245.06	739	138	84
217.14	591	166	67
348.17	513	35	58

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: 365.17993

Splash: splash10-0udi-0093000000-5df5e78c5a767c14f0dc

m/z	Int.	NL	Rel.Int.
203.03	3965	162	1000
348.23	1206	17	304
347.20	429	18	108
157.07	302	208	76

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: 263.16556

Splash: splash10-00kb-0090000000-a6d1d26fa4447be7b711

m/z	Int.	NL	Rel.Int.
245.14	1778	18	1000
217.14	921	46	518
227.16	655	36	368
144.99	240	118	135