ピーク情報

リーフレタスグリーン

pos

Peak #1685 MN MID: SE198_S12_M90

m/z: 383.14449, RT: 25.62, 強度: 28247, ログ強度: 1.09, 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) 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: 0.062, MS3: 0.042

安定同位体ラベル実験で見積もられた原子数:

N: 2

S: 0

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	0.866	16-iodo-hexadecanoic acid	LipidMAPS: LMFA01090039
C16H31O2I	382.13688	0.866	3-iodo-hexadecanoic acid	LipidMAPS: LMFA01090038
C16H31O2I	382.13688	0.866	2-iodo-hexadecanoic acid	LipidMAPS: LMFA01090037
C17H22O8N2	382.13762	-1.064	Benzyl edta	HMDB: HMDB0249072

MSnスペクトル情報

Level: 2, プリカーサーm/z: 383.14444

Splash: splash10-02t9-0089000000-7a61b3f298a3fa26a6b8

m/z	Int.	NL	Rel.Int.
365.15	46107	18	1000
263.05	30586	120	663
347.16	5753	36	124
221.02	5474	162	118
203.07	3923	180	85
245.10	3786	138	82
348.14	2707	35	58
227.08	2644	156	57
217.14	2431	166	52

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.063	[Isoflavone]-A(1OH)-B(1OH, 2OMe, 1(C-Prenyl))	Isoflavone	Licoricone
0.030	[Isoflavone]-A(1OH, 1OMe)-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavone	7,3'-Dihydroxy-5,4'-dimethoxy-5'-prenylisoflavone
0.030	[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: 365.18686

Splash: splash10-0udi-0094000000-21942a4965557ee43985

m/z	Int.	NL	Rel.Int.
203.00	9234	162	1000
348.12	3014	17	326
347.12	1280	18	138
157.02	490	208	53

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: 263.03952

Splash: splash10-00kb-0090000000-729f033939f0728f6517

m/z	Int.	NL	Rel.Int.
245.05	4729	18	1000
217.08	2656	46	561
227.05	1630	36	344
144.97	702	118	148