ピーク情報

チンゲンサイ葉生

pos

Peak #3685 MN MID: SE117_S061601_M90

m/z: 325.23723, RT: 73.15, 強度: 2527, ログ強度: -0.01, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 13

DB検索結果: (16 names) 2,4-dihydroxy-12E-heptadecen-16-yn-1-yl-acetate;Decylubiquinol;6-Decylubiquinol;2-Decyl-5,6-dimethoxy-3-methyl-1,4-benzenediol;1-O-(16-hydroxy-hexadeca-1Z,5Z-dien-3-ynyl)-sn-glycerol;(-)-Pironetin;NK ...

DBごとのヒット数: ALL 9 KG 2 KN 2 LM 5

FlavonoidSearch最大スコア MS2: 0.176, 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
C19H32O4	324.23006	-0.316	2,4-dihydroxy-12E-heptadecen-16-yn-1-yl-acetate	LipidMAPS: LMFA05000714
C19H32O4	324.23006	-0.316	Decylubiquinol	KEGG: C15495
C19H32O4	324.23006	-0.316	1-O-(16-hydroxy-hexadeca-1Z,5Z-dien-3-ynyl)-sn-glycerol	LipidMAPS: LMGL01030007
C19H32O4	324.23006	-0.316	Annosquamosin G	KNApSAcK: C00045647
C19H32O4	324.23006	-0.316	(-)-Pironetin	KNApSAcK: C00016637
C19H32O4	324.23006	-0.316	methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate	LipidMAPS: LMFA01040039
C19H32O4	324.23006	-0.316	methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate	LipidMAPS: LMFA01040038
C19H32O4	324.23006	-0.316	1-Acetoxy-2-hydroxy-16-heptadecyn-4-one	HMDB: HMDB0031007 LipidMAPS: LMFA05000595
C19H32O4	324.23006	-0.316	Dihydromonacolin L acid	KEGG: C20851

MSnスペクトル情報

Level: 2, プリカーサーm/z: 325.23651

Splash: splash10-0159-0091000000-cd521e3a76e68c47dd97

m/z	Int.	NL	Rel.Int.
233.19	3857	92	1000
268.13	3176	57	823
307.22	2311	18	599
215.15	1607	110	416
269.22	1154	56	299
251.29	459	74	119
135.11	231	190	59
235.13	216	90	55
205.19	209	120	54

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.176	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan	2-Prenyldemethylmedicarpin
0.150	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
0.130	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Isobavachin
0.130	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachin
0.130	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
0.130	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Isobavachalcone
0.130	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Broussochalcone B
0.130	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.111	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	8-Prenyldemethylmedicarpin
0.111	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	Phaseollidin
0.095	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.095	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
0.095	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Desmethylisoxanthohumol
0.000	[Chalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	Chalcone	Crotmadine
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Flemistrictin E
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5-(hydroxyisopropanyl)dihydrofurano)))-B(none)	2'-Hydroxychalcone	Flemistrictin B
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Flemistrictin F
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))-B(none)	2'-Hydroxychalcone	Flemistrictin C
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1OH)	2'-Hydroxychalcone	Dorsmanin A
0.000	[Dihydrochalcone]-A(2OH, 1([2,3:@@]-(6-Methyl-4,7-dihydrooxepino)))-B(none)	Dihydrochalcone	1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone
0.000	[Flavanone]-A(1OH, 1(3-Hydroxy-3-methyl-1-butenyl))-B(none)	Flavanone	7-Hydroxy-8-C-(3-hydroxy-3-methyl-trans-buten-1-yl)flavanone
0.000	[Flavanone]-A(2OMe, 1([2,3:@@]-Furano))-B(none)	Flavanone	5,6-Dimethoxy-[2'',3'':7,8]furanoflavanone
0.000	[Isoflavanone]-A(1([2,3:@@]-Furano))-B(2OMe)	Isoflavanone	Neoraunone
0.000	[Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))	Isoflavan	Crotmarine
0.000	[Isoflavan]-A(1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavan	Glabridin
0.000	[Isoflavan]-A(1OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavan	Phaseollinisoflavan
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(2OMe)	Pterocarpan	Ambonane
0.000	[Pterocarpan-6a-ol]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Neobanol

Level: 3, プリカーサーm/z: 268.12897

Splash: splash10-03di-0090000000-7f1f5db9706d13735bbc

m/z	Int.	NL	Rel.Int.
212.13	1959	56	1000
252.12	131	16	66

Level: 3, プリカーサーm/z: 233.18564

Splash: splash10-014i-0590000000-ad09e11f6a902109507e

m/z	Int.	NL	Rel.Int.
215.22	1181	18	1000
120.97	224	112	189
135.12	199	98	168
205.19	185	28	156
149.06	164	84	139
173.07	124	60	104
147.04	85	86	71
133.03	82	100	69