ピーク情報

＜魚類＞さんま皮つき、生

pos

Peak #2158 MN MID: SE120_S101731_M90

m/z: 457.34239, RT: 69.99, 強度: 45456, ログ強度: 1.14, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: N-Docosahexaenoyl Lysine

DBごとのヒット数: ALL 1 HM 1

FlavonoidSearch最大スコア MS2: -, 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
C28H44O3N2	456.33519	-0.166	N-Docosahexaenoyl Lysine	HMDB: HMDB0242018

MSnスペクトル情報

Level: 2, プリカーサーm/z: 457.34161

Splash: splash10-004v-0950200000-f3a2c78fd1c8e440ff1b

m/z	Int.	NL	Rel.Int.
439.36	1129	18	1000
146.99	944	310	836
128.96	897	328	795
194.94	635	262	562
130.07	620	327	549
311.40	580	146	514
171.06	579	286	513
269.21	513	188	454
440.48	496	17	439
227.17	488	230	432
213.13	484	244	428
223.24	477	234	422
293.28	458	164	405
209.21	445	248	394
169.08	386	288	342
181.08	385	276	341
185.03	380	272	337
211.18	376	246	333
156.97	329	300	291
183.13	316	274	279

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavan 3-ol]-A(2OH)-B(3OH)-C(1(O-Vanilloyl))	Flavan 3-ol	Gallocatechin 3-O-vanillate
[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-1(OMe)-Galloyl))	Flavan 3-ol	Catechin 3-O-(3-O-methylgallate)
[Flavan 3-ol]-A(2OH)-B(2OH)-C(1(O-1(OMe)-Galloyl))	Flavan 3-ol	Catechin 3-O-(4-O-methylgallate)
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(2OH)	2'-Hydroxychalcone	Kuraridinol
[CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone]-A(3OH)-B(1OH, 1OMe, 1(C-Prenyl))	CCS-type derivative / [beta,2]-(4-(1'-Hydroxy-1'-methylethyl))ethanodihydrochalcone	Antiarone J
[Flavanone]-A(2OH, 1(2-(2-hydroxyisopropyl)-5-methyl-4-hexenyl))-B(2OH)	Flavanone	Kushenol Q
[Flavanone]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(1OH, 1OMe)	Flavanone	Kushenol P
[Flavonol]-A(2OH, 1(5-Hydroxy-2-isopropenyl-5-methylhexyl))-B(2OH)	Flavonol	Kushenol G
[Isoflavone]-A(2OH, 1(2,3-Dihydroxy-3-methylbutyl))-B(1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone M

Level: 3, プリカーサーm/z: 146.98615

Splash: splash10-004i-0900000000-80eb928c6af1bb3a3bb9

m/z	Int.	NL	Rel.Int.
129.99	501	17	1000
128.83	83	18	165

Level: 3, プリカーサーm/z: 439.36298

Splash: splash10-014i-0943000000-5760e5ebcc3dc8c197bf

m/z	Int.	NL	Rel.Int.
168.12	132	271	1000
395.48	46	44	349
258.29	36	181	270
328.38	35	111	267
168.99	31	270	232
129.06	28	310	210
185.08	27	254	207
222.29	24	217	183
211.24	17	228	127
229.14	13	210	101
227.53	8	212	63

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavonol	Broussonol E
[Flavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavonol	Broussonol D
[Flavanone]-A(1OH, 1OMe, 2(C-Prenyl))-B(2OH)	Flavanone	Amoradicin
[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe)	Flavanone	Hiravanone
[Flavanone]-A(2OH, 2(C-Prenyl))-B(1OH, 1OMe)	Flavanone	Flemiflavanone A
[Flavanone]-A(1OH, 1OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Flavanone	Maackiaflavanone
[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	2'-Hydroxychalcone	Antiarone D
[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	2'-Hydroxychalcone	Antiarone C
[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavanone	Isosophoranone
[Isoflavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(C-Prenyl))	Isoflavanone	Sophoraisoflavanone B
[2'-Hydroxychalcone]-A(3OH)-B(1OH, 1OMe, 2(C-Prenyl))	2'-Hydroxychalcone	Antiarone E
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH)	2'-Hydroxychalcone	Homoflemingin
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Geranyl)-B(2OH)	2'-Hydroxychalcone	Flemiwallichin C
[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Lavandulyl)-B(2OH)	2'-Hydroxychalcone	Kuraridin
[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH)	Flavanone	Exiguaflavanone B
[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH)	Flavanone	Exiguaflavanone F
[Flavanone]-A(2OH)-B(1OMe, 1(C-Prenyl), 1(3-Hydroxy-3-methyl-1-butenyl))	Flavanone	Burttinone
[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)), 1(1-Hydroxy-3-methyl-2,3-epoxybutyl))-B(1OH)	Flavanone	1'''-Hydroxy-2''',3'''-Epoxylupinifolin
[Flavanone]-A(2OH, 1Geranyl)-B(1OH, 1OMe)	Flavanone	4'-O-Methyldiplacone
[Flavanone]-A(2OH, 1(C-Prenyl))-B(1OH, 1OMe, 1(1,1-Dimethylallyl))	Flavanone	5,7,4'-Trihydroxy-2'-methoxy-8-prenyl-5'-(1,1-dimethylallyl)flavanone
[Flavanone]-A(2OH, 1Lavandulyl)-B(1OH, 1OMe)	Flavanone	Isokurarinone
[Flavanone]-A(2OH, 1Lavandulyl)-B(1OH, 1OMe)	Flavanone	Leachianone A
[Flavanone]-A(1OH, 1OMe, 1Lavandulyl)-B(2OH)	Flavanone	Kurarinone
[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-prenyl-4,5-dihydropyrano)))-B(1OH, 1OMe)	Flavanone	Leachianone B
[Flavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(1OH, 1(2-hydroxy-3-methyl-3-butenyl))	Flavone	6,3'-(2-hydroxy-3-methyl-3-butenyl)apigenin
[3-substituted Flavone (3-(3-Hydroxy-3-methylbutyl))]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	3-substituted Flavone	Morusinol
[3-substituted Flavone (3-(3-Hydroxy-3-methylbutyl))]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	3-substituted Flavone	Morusignin L
[Dihydroflavonol]-A(1OH, 1OMe, 1Geranyl)-B(1OH)	Dihydroflavonol	Bonanniol B
[Dihydroflavonol]-A(2OH)-B(1OH, 1(5-Carboxy-2-hydroxyphenyl))	Dihydroflavonol	Hypnum acid methyl este
[Flavonol]-A(1OH, 1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(2OH, 1(C-Prenyl))	Flavonol	Broussonol C
[Flavonol]-A(2OH, 1Lavandulyl)-B(2OH)	Flavonol	Kushenol C
[Isoflavone]-A(2OH, 1(2-hydroxy-3-methyl-3-butenyl))-B(2OH, 1(C-Prenyl))	Isoflavone	Lupinisol B
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(2OH, 1(2-hydroxy-3-methyl-3-butenyl))	Isoflavone	Lupinisol C
[Isoflavone]-A(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))-B(2OH, 1(C-Prenyl))	Isoflavone	Lupinisoflavone H
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone I
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Isoflavone	Lupinisoflavone J
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Isoflavone	Lupinisolone B
[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Isoflavone	Lupinisolone C
[Isoflavan]-A(2OMe, 1(C-Prenyl))-B(2OH, 1(C-Prenyl))	Isoflavan	Licorisoflavan A
[6-Hydroxydehydrorotenone (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OMe)	6-Hydroxydehydrorotenone	Villinol