ピーク情報

＜魚類＞（あじ類）まあじ皮つき、生

pos

Peak #1015 MN MID: SE117_S100031_M90

m/z: 367.14954, RT: 25.24, 強度: 3103, ログ強度: -0.05, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 35

DB検索結果: (4 names) 2-iodohexadecanal;1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate;Tryptophan 2-C-mannoside;Semilepidinoside B

DBごとのヒット数: ALL 4 KN 1 HM 2 LM 1

FlavonoidSearch最大スコア MS2: 0.045, MS3: -

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
C16H31OI	366.14196	0.826	2-iodohexadecanal	LipidMAPS: LMFA06000281
C17H22O7N2	366.14270	-1.188	1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate	HMDB: HMDB0012492
C17H22O7N2	366.14270	-1.188	Tryptophan 2-C-mannoside	HMDB: HMDB0240296, HMDB0258059
C17H22O7N2	366.14270	-1.188	Semilepidinoside B	HMDB: HMDB0033108 KNApSAcK: C00028988

MSnスペクトル情報

Level: 2, プリカーサーm/z: 367.14941

Splash: splash10-0002-0092000000-569a2b23561f4226ce2e

m/z	Int.	NL	Rel.Int.
247.06	3830	120	1000
229.06	1901	138	496
271.12	1045	96	272
349.16	976	18	254
331.23	809	36	211
350.27	507	17	132
230.07	440	137	114
313.09	261	54	68
188.09	227	179	59
205.09	224	162	58
254.15	222	113	57
296.06	208	71	54
276.11	194	91	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.095	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	2'-Hydroxychalcone	3,4-Dimethoxylonchocarpin
0.045	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	2'-Hydroxychalcone	Glychalcone A
0.045	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	2'-Hydroxychalcone	6'',6''-Dimethylpyrano[2'',3'':6',5']-2'-hydroxy-4,4'-dimethoxychalcone
0.043	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Flavanone	Ponganone III
0.043	[Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavanone	Glyflavanone A
0.037	[Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavonol	6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether
0.033	[Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Barpisoflavone C
0.033	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Isoflavone	3'-Hydroxyalpinumisoflavone 4'-methyl ether
0.000	[Coumestan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl))	Coumestan	Mirificoumestan
0.000	[Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Coumestan	Puerarostan
0.000	[Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Coumestan	3,9-Dihydroxy-1-methoxy-8-prenylcoumestan
0.000	[Coumestan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Coumestan	Glycyrol
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavone	Racemoflavone
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Flavone	5-Hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
0.000	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Pterocarpan	Edulenane
0.000	[2'-Hydroxychalcone]-A(2OH, 1(3-methyl-6-oxo-2-hexenyl))-B(1OH)	2'-Hydroxychalcone	Xanthoangelol C
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	Praecansone B
0.000	[Flavanone]-A(1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Flavanone	O-Methylovaliflavanone C
0.000	[Flavone]-A(2OMe, 1(cis-3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavone	cis-Tephrostachin
0.000	[Flavone]-A(2OMe, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavone	trans-Tephrostachin
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1Methyl)-B(2OH)	Flavone	Desmodol
0.000	[Flavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	Flavonol	3'-Methoxypongapin
0.000	[Flavonol]-A(2OH, 1Sulfate)-B(1OH)	Flavonol	Kaempferol 8-C-sulfate
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavonol	Vellokaempferol 3-methyl ether
0.000	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Isoflavone	Derrubone
0.000	[Pterocarpan]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neorautenanol
0.000	[Coumestan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Coumestan	Isoglycyrol
0.000	[Rotenone]-A(1OMe, 1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Rotenone	Pachyrrhizone
0.000	[12a-Hydroxyrotenone (12a-OMe)]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	12a-Methoxydolineone
0.000	[3-Phenylcoumarin]-A(1OMe, 1([2,3:@@]-Furano))-B(1OMe, 1([@@]-Methylenedioxy))	3-Phenylcoumarin	Neofolin

Level: 3, プリカーサーm/z: 247.10489

Splash: splash10-004i-0190000000-a6f72d147bb8f7b47fe4

m/z	Int.	NL	Rel.Int.
229.05	2013	18	1000
144.05	418	103	207
230.07	240	17	119
202.08	113	45	55

Level: 3, プリカーサーm/z: 229.07645

Splash: splash10-053r-0900000000-37bbe6ce843ea7d3b385

m/z	Int.	NL	Rel.Int.
183.07	608	46	1000
156.01	538	73	885
168.05	277	61	456
185.13	98	44	160