ピーク情報

ごぼう根生

pos

Peak #7480 MN MID: SE114_S060841_M90

m/z: 342.26370, RT: 95.07, 強度: 27936, ログ強度: 1.02, アダクト: [M+NH4]+, 共有数（同様のピークを含むサンプル数）: 2

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: -, MS3: 0.074

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	-0.571	2,4-dihydroxy-12E-heptadecen-16-yn-1-yl-acetate	LipidMAPS: LMFA05000714
C19H32O4	324.23006	-0.571	Decylubiquinol	KEGG: C15495
C19H32O4	324.23006	-0.571	1-O-(16-hydroxy-hexadeca-1Z,5Z-dien-3-ynyl)-sn-glycerol	LipidMAPS: LMGL01030007
C19H32O4	324.23006	-0.571	Annosquamosin G	KNApSAcK: C00045647
C19H32O4	324.23006	-0.571	(-)-Pironetin	KNApSAcK: C00016637
C19H32O4	324.23006	-0.571	methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate	LipidMAPS: LMFA01040039
C19H32O4	324.23006	-0.571	methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate	LipidMAPS: LMFA01040038
C19H32O4	324.23006	-0.571	1-Acetoxy-2-hydroxy-16-heptadecyn-4-one	HMDB: HMDB0031007 LipidMAPS: LMFA05000595
C19H32O4	324.23006	-0.571	Dihydromonacolin L acid	KEGG: C20851

MSnスペクトル情報

Level: 2, プリカーサーm/z: 342.26361

Splash: splash10-00di-0009000000-677dc1cd6eccacd241e8

m/z	Int.	NL	Rel.Int.
324.87	1026	17	1000
306.36	98	36	95

Level: 3, プリカーサーm/z: 325.20810

Splash: splash10-0a4i-0869000000-eadf11dd5b053d1f2cc5

m/z	Int.	NL	Rel.Int.
307.33	67	18	1000
184.99	18	140	276
247.27	17	78	259
171.09	10	154	142
157.14	9	168	136
208.81	8	116	117
117.01	8	208	115
297.47	8	28	112
305.31	6	20	85
122.90	6	202	82
219.36	5	106	80
213.06	5	112	78
277.38	5	48	71
149.20	5	176	68
224.98	4	100	57
135.21	4	190	56
182.72	3	142	50
199.10	3	126	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.074	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan	2-Prenyldemethylmedicarpin
0.074	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	8-Prenyldemethylmedicarpin
0.074	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	Phaseollidin
0.067	[2'-Hydroxychalcone]-A(3OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Desmethylisoxanthohumol
0.061	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Isobavachin
0.061	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachin
0.061	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
0.061	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Isobavachalcone
0.061	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Broussochalcone B
0.061	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.032	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.032	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
0.032	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
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

関連ピーク情報

ピーク番号	保持時間 (min)	m/z	m/z差分	ログ強度	アダクト	DB検索結果	ヒット数	MSn	FS2	FS3	共有数
	95.08	347.21925	4.9556	0.09	[M+Na]+	(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 ...	ALL 9 KG 2 KN 2 LM 5				1
7480	95.07	342.26370	0.0000	1.02	[M+NH4]+	(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 ...	ALL 9 KG 2 KN 2 LM 5	MS2 MS3		0.074	2
	95.06	325.23718	-17.0265	1.68	[M+CH3OH+H]+, [M+H]+	(32 names) 12,13-epoxy-10E,15Z-octadecadien-9-olide; 7-Hydroxy-octadeca-7Z,9Z-dien-5-ynoic acid; Colnelenic acid; Ketochabrolic acid; 17beta-Hydroxy-2-oxa-5alpha-androstan-3-one; Methyl [6]-paradol; 13S-hydroxy-6Z,9Z,...	ALL 27 KG 8 KN 5 LM 14	MS2 MS3 x 2	0.063		4