ピーク情報

パセリ葉生

pos

Peak #9530 MN MID: SE119_S062391_M90

m/z: 325.23724, RT: 73.96, 強度: 1551, ログ強度: -0.38, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 9

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: 0.150, MS3: 0.200

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	-0.293	2,4-dihydroxy-12E-heptadecen-16-yn-1-yl-acetate	LipidMAPS: LMFA05000714
C19H32O4	324.23006	-0.293	Decylubiquinol	KEGG: C15495
C19H32O4	324.23006	-0.293	1-O-(16-hydroxy-hexadeca-1Z,5Z-dien-3-ynyl)-sn-glycerol	LipidMAPS: LMGL01030007
C19H32O4	324.23006	-0.293	Annosquamosin G	KNApSAcK: C00045647
C19H32O4	324.23006	-0.293	(-)-Pironetin	KNApSAcK: C00016637
C19H32O4	324.23006	-0.293	methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate	LipidMAPS: LMFA01040039
C19H32O4	324.23006	-0.293	methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate	LipidMAPS: LMFA01040038
C19H32O4	324.23006	-0.293	1-Acetoxy-2-hydroxy-16-heptadecyn-4-one	HMDB: HMDB0031007 LipidMAPS: LMFA05000595
C19H32O4	324.23006	-0.293	Dihydromonacolin L acid	KEGG: C20851

MSnスペクトル情報

Level: 2, プリカーサーm/z: 325.23715

Splash: splash10-0159-0091000000-37e6513eccc7031f7a66

m/z	Int.	NL	Rel.Int.
233.17	3810	92	1000
269.18	2087	56	547
215.15	1465	110	384
307.32	1312	18	344
268.25	1227	57	322
251.25	281	74	73
235.20	229	90	59
205.16	221	120	57
149.12	192	176	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
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, 1(C-Prenyl))-B(1OH)	Pterocarpan	2-Prenyldemethylmedicarpin
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: 269.15747

Splash: splash10-03di-0090000000-31d7aee556cc88fa9532

m/z	Int.	NL	Rel.Int.
213.09	1067	56	1000
212.11	344	57	322
253.10	75	16	70

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.200	[Flavone]-A(1OMe)-B(1OH)	Flavone	Isopratol
0.200	[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	Trigraecum
0.200	[Flavone]-A(1OH)-B(1OMe)	Flavone	5-Hydroxy-2'-methoxyflavone
0.200	[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	5-Hydroxy-6-methoxyflavone
0.200	[Flavone]-A(1OH)-B(1OMe)	Flavone	6-Hydroxy-4'-methoxyflavone
0.200	[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	Tectochrysin
0.167	[Coumestan]-A(1OH)-B(1OH)	Coumestan	Coumestrol
0.063	[Flavonol]-A(none)-B(1OMe)	Flavonol	3-Hydroxy-4'-methoxyflavone
0.053	[Isoflavone]-A(1OH)-B(1OMe)	Isoflavone	Formononetin
0.053	[Isoflavone]-A(1OH)-B(1OMe)	Isoflavone	Pallidiflorin
0.053	[Isoflavone]-A(1OMe)-B(1OH)	Isoflavone	Isoformononetin
0.053	[Isoflavone]-A(1OH, 1OMe)-B(none)	Isoflavone	5-Hydroxy-7-methoxyisoflavone
0.000	[Aurone]-A(1OH, 1Methyl)-B(1OH)	Aurone	6,4'-Dihydroxy-7-methylaurone
0.000	[Flavanone]-A(1OH, 2Methyl)-B(none)	Flavanone	7-Hydroxy-6,8-di-C-methylflavanone
0.000	[Flavone]-A(2OH, 1Methyl)-B(none)	Flavone	Strobochrysin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(none)	4-phenylcoumarin	Dalbergin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(none)	4-phenylcoumarin	Isodalbergin

Level: 3, プリカーサーm/z: 233.22284

Splash: splash10-014i-1690000000-5a3a31f85e137ec74bf9

m/z	Int.	NL	Rel.Int.
215.21	434	18	1000
134.97	111	98	254
120.94	70	112	162
205.24	63	28	144
149.14	60	84	138
133.08	37	100	84
173.15	33	60	76
158.96	31	74	70
81.03	30	152	68
93.00	28	140	63