ピーク情報

あおのり素干し

pos

Peak #3451 MN MID: SE120_S090021_M90

m/z: 325.23740, RT: 74.50, 強度: 5281, ログ強度: 0.22, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 6

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: 0.188, 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	0.213	2,4-dihydroxy-12E-heptadecen-16-yn-1-yl-acetate	LipidMAPS: LMFA05000714
C19H32O4	324.23006	0.213	Decylubiquinol	KEGG: C15495
C19H32O4	324.23006	0.213	1-O-(16-hydroxy-hexadeca-1Z,5Z-dien-3-ynyl)-sn-glycerol	LipidMAPS: LMGL01030007
C19H32O4	324.23006	0.213	Annosquamosin G	KNApSAcK: C00045647
C19H32O4	324.23006	0.213	(-)-Pironetin	KNApSAcK: C00016637
C19H32O4	324.23006	0.213	methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate	LipidMAPS: LMFA01040039
C19H32O4	324.23006	0.213	methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate	LipidMAPS: LMFA01040038
C19H32O4	324.23006	0.213	1-Acetoxy-2-hydroxy-16-heptadecyn-4-one	HMDB: HMDB0031007 LipidMAPS: LMFA05000595
C19H32O4	324.23006	0.213	Dihydromonacolin L acid	KEGG: C20851

MSnスペクトル情報

Level: 2, プリカーサーm/z: 325.23740

Splash: splash10-0159-0091000000-218259c4b4216e2c973d

m/z	Int.	NL	Rel.Int.
233.18	3735	92	1000
269.22	1595	56	426
307.23	1471	18	393
215.13	1389	110	371
268.18	755	57	202
251.18	476	74	127
191.23	238	134	63
205.13	201	120	53

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.188	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1OH)	Pterocarpan	2-Prenyldemethylmedicarpin
0.188	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	8-Prenyldemethylmedicarpin
0.188	[Pterocarpan]-A(1OH)-B(1OH, 1(C-Prenyl))	Pterocarpan	Phaseollidin
0.158	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Crotaramosmin
0.136	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Isobavachin
0.136	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1OH)	Flavanone	Bavachin
0.136	[Flavanone]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavanone	Abyssinone II
0.136	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Isobavachalcone
0.136	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(1OH)	2'-Hydroxychalcone	Broussochalcone B
0.136	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1(C-Prenyl))	2'-Hydroxychalcone	Licoagrochalcone A
0.100	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	Glabranin
0.100	[Flavanone]-A(2OH, 1(C-Prenyl))-B(none)	Flavanone	5,7-Dihydroxy-6-C-prenylflavanone
0.100	[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: 269.13004

Splash: splash10-03di-0090000000-8db0f2b77c2657f02f92

m/z	Int.	NL	Rel.Int.
213.14	630	56	1000
212.11	217	57	345
253.20	57	16	90

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: 233.14426

Splash: splash10-014i-0980000000-df10fe2a3ead2488cb7f

m/z	Int.	NL	Rel.Int.
215.19	625	18	1000
135.09	140	98	224
148.91	138	84	220
121.02	103	112	164
205.23	84	28	135
159.05	71	74	113
173.11	71	60	112
133.07	57	100	91
145.02	51	88	81
163.04	47	70	75
187.11	40	46	63
130.93	37	102	58