ピーク情報

イネ　玄米　ニッポンバレ

pos

Peak #1490 MN MID: SE199_S21_M90

m/z: 383.14480, RT: 25.83, 強度: 4269, ログ強度: 0.23, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 6

DB検索結果: (4 names) Benzyl edta;16-iodo-hexadecanoic acid;3-iodo-hexadecanoic acid;2-iodo-hexadecanoic acid

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
C17H22O8N2	382.13762	-0.250	Benzyl edta	HMDB: HMDB0249072
C16H31O2I	382.13688	1.680	16-iodo-hexadecanoic acid	LipidMAPS: LMFA01090039
C16H31O2I	382.13688	1.680	3-iodo-hexadecanoic acid	LipidMAPS: LMFA01090038
C16H31O2I	382.13688	1.680	2-iodo-hexadecanoic acid	LipidMAPS: LMFA01090037

MSnスペクトル情報

Level: 2, プリカーサーm/z: 383.14471

Splash: splash10-02t9-0079000000-f6059cda1d8a7823b1d1

m/z	Int.	NL	Rel.Int.
365.17	6022	18	1000
263.09	3703	120	614
347.18	850	36	141
203.08	595	180	98
221.05	593	162	98
245.15	495	138	82
348.24	343	35	56
217.18	340	166	56

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: 365.13745

Splash: splash10-0udi-0093000000-d04dd5e9c1fae87adebb

m/z	Int.	NL	Rel.Int.
203.05	2605	162	1000
348.11	806	17	309
347.13	321	18	123
157.05	161	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: 263.14221

Splash: splash10-00kb-0090000000-afcc3a300a772641bda6

m/z	Int.	NL	Rel.Int.
245.08	1207	18	1000
217.07	713	46	590
227.18	522	36	432
145.03	186	118	154