ピーク情報

せり茎葉生

pos

Peak #3611 MN MID: SE116_S061171_M90

m/z: 325.23732, RT: 72.97, 強度: 2466, 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）: 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: 0.200, 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	-0.049	2,4-dihydroxy-12E-heptadecen-16-yn-1-yl-acetate	LipidMAPS: LMFA05000714
C19H32O4	324.23006	-0.049	Decylubiquinol	KEGG: C15495
C19H32O4	324.23006	-0.049	1-O-(16-hydroxy-hexadeca-1Z,5Z-dien-3-ynyl)-sn-glycerol	LipidMAPS: LMGL01030007
C19H32O4	324.23006	-0.049	Annosquamosin G	KNApSAcK: C00045647
C19H32O4	324.23006	-0.049	(-)-Pironetin	KNApSAcK: C00016637
C19H32O4	324.23006	-0.049	methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate	LipidMAPS: LMFA01040039
C19H32O4	324.23006	-0.049	methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate	LipidMAPS: LMFA01040038
C19H32O4	324.23006	-0.049	1-Acetoxy-2-hydroxy-16-heptadecyn-4-one	HMDB: HMDB0031007 LipidMAPS: LMFA05000595
C19H32O4	324.23006	-0.049	Dihydromonacolin L acid	KEGG: C20851

MSnスペクトル情報

Level: 2, プリカーサーm/z: 325.23669

Splash: splash10-014i-0092000000-f331fa9306e5bf6cc63d

m/z	Int.	NL	Rel.Int.
268.15	3007	57	1000
233.16	2501	92	831
307.26	2100	18	698
215.20	1180	110	392
269.17	963	56	320
251.29	262	74	87
134.99	151	190	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.200	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan	2-Prenyldemethylmedicarpin
0.143	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
0.143	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.125	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	8-Prenyldemethylmedicarpin
0.125	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	Phaseollidin
0.105	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.105	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
0.105	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
0.105	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Desmethylisoxanthohumol
0.091	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Isobavachin
0.091	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachin
0.091	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Isobavachalcone
0.091	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Broussochalcone B
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: 268.14661

Splash: splash10-03di-0090000000-02a3dcd81c760f34c69b

m/z	Int.	NL	Rel.Int.
212.04	1262	56	1000
252.22	82	16	64

Level: 3, プリカーサーm/z: 233.15591

Splash: splash10-014i-0590000000-dbafc27225b258c79866

m/z	Int.	NL	Rel.Int.
215.23	644	18	1000
135.02	104	98	161
121.03	89	112	138
205.26	82	28	127
149.13	76	84	118
147.08	58	86	89
173.15	56	60	86
159.06	53	74	82