ピーク情報

＜魚類＞（いわし類）まいわし生

pos

Peak #2339 MN MID: SE117_S100471_M90

m/z: 426.35777, RT: 80.52, 強度: 30217, ログ強度: 0.91, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 36

DB検索結果: (6 names) Vaccenyl carnitine;Oleoylcarnitine;(7Z)-Octadec-7-enoylcarnitine;Octadecenoylcarnitine;(13Z)-Octadec-13-enoylcarnitine;Octadec-6-enoylcarnitine

DBごとのヒット数: ALL 6 HM 5 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.133

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
C25H47O4N	425.35051	-0.038	Vaccenyl carnitine	HMDB: HMDB0006351, HMDB0013337
C25H47O4N	425.35051	-0.038	Oleoylcarnitine	HMDB: HMDB0005065, HMDB0006464, HMDB0244574 LipidMAPS: LMFA07070063, LMFA07070096
C25H47O4N	425.35051	-0.038	(7Z)-Octadec-7-enoylcarnitine	HMDB: HMDB0241531
C25H47O4N	425.35051	-0.038	Octadecenoylcarnitine	HMDB: HMDB0094687
C25H47O4N	425.35051	-0.038	(13Z)-Octadec-13-enoylcarnitine	HMDB: HMDB0241529
C25H47O4N	425.35051	-0.038	Octadec-6-enoylcarnitine	HMDB: HMDB0241528

MSnスペクトル情報

Level: 2, プリカーサーm/z: 426.35770

Splash: splash10-014i-0293000000-706c2e4be94f8169140b

m/z	Int.	NL	Rel.Int.
367.23	1559	59	1000
265.22	1277	161	818
247.17	1081	179	693
283.18	815	143	522
269.19	636	157	408
297.19	634	129	406
255.20	606	171	388
311.27	578	115	370
241.06	407	185	261
157.00	383	269	245
368.23	326	58	208
227.13	302	199	193
177.19	289	249	185
149.11	283	277	181
248.33	283	178	181
266.32	259	160	165
181.08	247	245	158
195.07	242	231	155
209.14	241	217	154
167.12	210	259	134

Level: 3, プリカーサーm/z: 265.36792

Splash: splash10-0002-3790000000-50401b95d7d6fe429251

m/z	Int.	NL	Rel.Int.
247.22	324	18	1000
149.09	47	116	145
167.25	46	98	142
163.07	41	102	126
94.98	37	170	112
190.96	30	74	92
108.65	28	157	86
80.94	27	184	82
97.09	26	168	79
107.05	24	158	74
84.98	21	180	63
177.32	21	88	63
82.91	20	182	60
110.79	18	155	54
165.00	17	100	52

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-Furano))-B(none)	2'-Hydroxychalcone	2'-Hydroxyfurano[2'',3'':4',3']chalcone

Level: 3, プリカーサーm/z: 367.30783

Splash: splash10-00kb-0290000000-2f6f4c1bdc6de5615d39

m/z	Int.	NL	Rel.Int.
247.13	114	120	1000
297.21	79	70	689
265.18	67	102	588
283.18	54	84	470
269.22	53	98	462
157.01	48	210	418
241.16	34	126	296
311.31	31	56	274
227.20	30	140	264
255.23	28	112	243
209.29	21	158	184
134.94	19	232	168
199.23	19	168	164
111.26	15	256	127
191.31	12	176	103
177.29	11	190	98

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.174	[Flavanone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavanone	Glyflavanone A
0.133	[Isoflavone]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Barpisoflavone C
0.133	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	Isoflavone	3'-Hydroxyalpinumisoflavone 4'-methyl ether
0.130	[Coumestan]-A(1OH)-B(1OH, 1OMe, 1(C-Prenyl))	Coumestan	Mirificoumestan
0.130	[Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Coumestan	Puerarostan
0.130	[Coumestan]-A(1OH, 1OMe)-B(1OH, 1(C-Prenyl))	Coumestan	3,9-Dihydroxy-1-methoxy-8-prenylcoumestan
0.130	[Coumestan]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Coumestan	Glycyrol
0.130	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	2'-Hydroxychalcone	Glychalcone A
0.130	[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
0.130	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	2'-Hydroxychalcone	3,4-Dimethoxylonchocarpin
0.125	[Flavanone]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OMe)	Flavanone	Ponganone III
0.069	[Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavonol	6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether
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