ピーク情報

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Peak #11770 MN MID: SE205_S02_M90

m/z: 287.29463, RT: 101.64, 強度: 67490, ログ強度: 1.31, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 1

DB検索結果: (6 names) 2-methylheptadecane-1,2-diol;Hexanal dihexyl acetal;3-methylheptadecane-1,2-diol;11-methylheptadecane-1,2-diol;Hexadecane, 1,1-dimethoxy-;1,18-Octadecanediol

DBごとのヒット数: ALL 6 KN 1 HM 2 LM 3

FlavonoidSearch最大スコア MS2: 0.167, MS3: 0.222

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
C18H38O2	286.28718	0.590	2-methylheptadecane-1,2-diol	LipidMAPS: LMFA05000070
C18H38O2	286.28718	0.590	Hexanal dihexyl acetal	HMDB: HMDB0032316
C18H38O2	286.28718	0.590	3-methylheptadecane-1,2-diol	LipidMAPS: LMFA05000071
C18H38O2	286.28718	0.590	Hexadecane, 1,1-dimethoxy-	HMDB: HMDB0244024
C18H38O2	286.28718	0.590	11-methylheptadecane-1,2-diol	LipidMAPS: LMFA05000072
C18H38O2	286.28718	0.590	1,18-Octadecanediol	KNApSAcK: C00007437

MSnスペクトル情報

Level: 2, プリカーサーm/z: 287.29416

Splash: splash10-014i-1490000000-f0d7a833e4ec51de2e49

m/z	Int.	NL	Rel.Int.
269.09	42307	18	1000
97.02	9081	190	214
110.97	8845	176	209
124.96	6303	162	148
138.87	3763	148	88

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.167	[Isoflavanone]-A(1OH)-B(1OH, 1OMe)	Isoflavanone	3'-Hydroxydihydroformononetin
0.167	[Isoflavanone]-A(1OH)-B(1OH, 1OMe)	Isoflavanone	Vestitone
0.125	[Dihydroflavonol]-A(1OH)-B(1OMe)	Dihydroflavonol	Garbanzol 4'-methyl ether
0.125	[Dihydroflavonol]-A(1OH, 1OMe)-B(none)	Dihydroflavonol	3,7-Dihydroxy-6-methoxyflavanone
0.100	[Dihydroflavonol (3-OMe)]-A(2OH)-B(none)	Dihydroflavonol	Pinobanksin 3-methyl ether
0.100	[Pterocarpan]-A(2OH)-B(1OMe)	Pterocarpan	4-Hydroxymedicarpin
0.091	[Dihydroflavonol]-A(1OH, 1OMe)-B(none)	Dihydroflavonol	Pinobanksin 5-methyl ether
0.091	[Dihydroflavonol]-A(1OH, 1OMe)-B(none)	Dihydroflavonol	Alpinone
0.077	[Isoflavanone]-A(2OH)-B(1OMe)	Isoflavanone	Dihydrobiochanin A
0.077	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Kukulkanin B
0.077	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	2,2',6'-Trihydroxy-4'-methoxychalcone
0.077	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	2,2',4'-Trihydroxy-6'-methoxychalcone
0.077	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Neosakuranetin
0.077	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Helichrysetin
0.077	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(2OH)	2'-Hydroxychalcone	Calythropsin
0.077	[2'-Hydroxychalcone]-A(3OH)-B(1OMe)	2'-Hydroxychalcone	2',4',6'-Trihydroxy-4-methoxychalcone
0.077	[2'-Hydroxychalcone]-A(3OH, 1OMe)-B(none)	2'-Hydroxychalcone	2',3',4'-dihydroxy-6'-methoxychalcone
0.077	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	Homobutein
0.077	[2'-Hydroxychalcone]-A(2OH)-B(1OH, 1OMe)	2'-Hydroxychalcone	3,2',4'-Trihydroxy-4-methoxychalcone
0.067	[Flavone]-A(1OH)-B(3OH)	Flavone	7,3',4',5'-Tetrahydroxyflavone
0.067	[Flavone]-A(2OH)-B(2OH)	Flavone	5,7,2',5'-Tetrahydroxyflavone
0.067	[Flavone]-A(2OH)-B(2OH)	Flavone	5,7,2',6'-Tetrahydroxyflavone
0.067	[Flavone]-A(2OH)-B(2OH)	Flavone	5,7,2',3'-Tetrahydroxyflavone
0.067	[Flavone]-A(2OH)-B(2OH)	Flavone	Luteolin
0.067	[Flavone]-A(2OH)-B(2OH)	Flavone	Norartocarpetin
0.067	[Flavone]-A(3OH)-B(1OH)	Flavone	5,6,7,2'-Tetrahydroxyflavone
0.067	[Flavone]-A(3OH)-B(1OH)	Flavone	Scutellarein
0.067	[Flavone]-A(3OH)-B(1OH)	Flavone	5,7,8,2'-Tetrahydroxyflavone
0.067	[Flavone]-A(3OH)-B(1OH)	Flavone	Isoscutellarein
0.067	[Chalcone]-A(1OH)-B(2OH, 1OMe)	Chalcone	Licochalcone B
0.067	[Chalcone]-A(1OH, 1OMe)-B(2OH)	Chalcone	Sappanchalcone
0.067	[Anthocyanidin]-A(2OH)-B(2OH)	Anthocyanidin	Cyanidin
0.067	[Anthocyanidin]-A(3OH)-B(1OH)	Anthocyanidin	Aurantinidin
0.067	[Flavanone]-A(2OH)-B(1OMe)	Flavanone	5,6-Dihydroxy-4'-methoxyflavanone
0.067	[Flavanone]-A(2OH)-B(1OMe)	Flavanone	Isosakuranetin
0.067	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	5-Methoxydihydrobaicalein
0.067	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	Dihydrooroxylin A
0.067	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	5,8-Dihydroxy-7-methoxyflavanone
0.067	[Flavanone]-A(2OH, 1OMe)-B(none)	Flavanone	Dihydrowogonin
0.067	[Flavanone]-A(1OH, 1OMe)-B(1OH)	Flavanone	Dihydroechioidinin
0.067	[Flavanone]-A(1OH, 1OMe)-B(1OH)	Flavanone	Naringenin 5-methyl ether
0.067	[Flavanone]-A(1OH, 1OMe)-B(1OH)	Flavanone	Sakuranetin
0.063	[Isoflavone]-A(2OH)-B(2OH)	Isoflavone	7,8,2',4'-Tetrahydroxyisoflavone
0.063	[Isoflavone]-A(2OH)-B(2OH)	Isoflavone	Orobol
0.063	[Isoflavone]-A(2OH)-B(2OH)	Isoflavone	2'-Hydroxygenistein
0.063	[Isoflavone]-A(1OH)-B(3OH)	Isoflavone	Baptigenin
0.063	[Isoflavone]-A(3OH)-B(1OH)	Isoflavone	6-Hydroxygenistein
0.048	[Flavonol]-A(2OH)-B(1OH)	Flavonol	Datiscetin
0.048	[Flavonol]-A(3OH)-B(none)	Flavonol	6-Hydroxygalangin
0.048	[Flavonol]-A(3OH)-B(none)	Flavonol	8-Hydroxygalangin
0.045	[Flavonol]-A(2OH)-B(1OH)	Flavonol	3,7,8,4'-Tetrahydroxyflavone
0.045	[Flavonol]-A(2OH)-B(1OH)	Flavonol	Kaempferol
0.045	[Flavonol]-A(1OH)-B(2OH)	Flavonol	Fisetin
0.000	[Isoflavan]-A(1OH)-B(2OMe)	Isoflavan	Sativan
0.000	[Isoflavan]-A(1OMe)-B(1OH, 1OMe)	Isoflavan	Isosativan
0.000	[Isoflavan]-A(1OMe)-B(1OH, 1OMe)	Isoflavan	Arvensan
0.000	[Dihydrochalcone]-A(1OH, 2OMe)-B(none)	Dihydrochalcone	Dihydroflavokawin B
0.000	[Dihydrochalcone]-A(2OMe)-B(1OH)	Dihydrochalcone	4-Hydroxy-2',4'-dimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH)-B(2OMe)	Dihydrochalcone	4'-Hydroxy-2,6-dimethoxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH)-B(2OMe)	Dihydrochalcone	Loureirin A
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1OH)	Pterocarpan	Melilotocarpan B
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(1OH)	Pterocarpan	Desmocarpin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Nissolin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Vesticarpan
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Kushenin
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	3,8-Dihydroxy-9-methoxypterocarpan
0.000	[Pterocarpan]-A(1OH)-B(1OH, 1OMe)	Pterocarpan	Nissicarpin
0.000	[Aurone]-A(2OH)-B(2OH)	Aurone	Maritimetin
0.000	[Aurone]-A(2OH)-B(2OH)	Aurone	Aureusidin
0.000	[Aurone]-A(3OH)-B(1OH)	Aurone	Helmon
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1OMe)-B(1OH)	beta-Hydroxy(or Oxodihydro)chalcone	Licodione 2'-methyl ether
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	2',6',beta-Trihydroxy-4'-methoxychalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	2',4',beta-Trihydroxy-6'-methoxychalcone
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone]-A(2OH)-B(1OH)	UBR-type derivative / [2',5']-Benzoquinonyl-type chalcone	4,4',6'-Trihydroxy-[2',5']-benzoquinonechalcone
0.000	[UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone]-A(2OMe)-B(none)	UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone	Linderone
0.000	[Dihydrochalcone]-A(2OH)-B(1([@@]-Methylenedioxy))	Dihydrochalcone	2',4'-Dihydroxy-3,4-methylenedioxydihydrochalcone
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(none)	Dihydrochalcone	Myrigalone H
0.000	[Dihydrochalcone]-A(2OH, 1OMe, 1Methyl)-B(none)	Dihydrochalcone	2',6'-Dihydroxy-4'-methoxy-3'-methyldihydrochalcone
0.000	[Dihydrochalcone]-A(3OH, 1Formyl)-B(none)	Dihydrochalcone	3'-Formyl-2',4',6'-trihydroxydihydrochalcone
0.000	[Flavanone]-A(2OH, 1Methyl)-B(1OH)	Flavanone	Poriol
0.000	[3-substituted Flavanone (3-Methyl)]-A(2OH)-B(1OH)	3-substituted Flavanone	3-Methylnaringenin
0.000	[Dihydroflavonol]-A(2OH, 1Methyl)-B(none)	Dihydroflavonol	6-Methypinobanksin
0.000	[Flavan 3-ol]-A(1OMe, 1Methyl)-B(1OH)	Flavan 3-ol	Tupichinol A
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavan]-A(1OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanoflavan	Peltogynan
0.000	[Flavan]-A(1OMe)-B(1OH, 1OMe)	Flavan	4'-Hydroxy-7,3'-dimethoxyflavan
0.000	[Flavan]-A(1OH, 1Methyl)-B(1OH, 1OMe)	Flavan	7,3'-Dihydroxy-4'-methoxy-8-methylflavan
0.000	[Flavan]-A(1OH, 1Methyl)-B(1OH, 1OMe)	Flavan	7,4'-Dihydroxy-3'-methoxy-8-methylflavan
0.000	[Flavan]-A(1OH, 1OMe)-B(1OMe)	Flavan	7-Hydroxy-5,4'-dimethoxyflavan
0.000	[Flavan]-A(1OH, 1OMe)-B(1OMe)	Flavan	5-Hydroxy-7,4'-dimethoxyflavan
0.000	[Flavan]-A(2OMe)-B(1OH)	Flavan	4'-Hydroxy-5,7-dimethoxyflavan
0.000	[Flavan]-A(1OH, 1OMe, 1Methyl)-B(1OH)	Flavan	5,4'-Dihydroxy-7'-methoxy-8-methylflavan
0.000	[3-DehydroxyAnthocyanidin]-A(2OH)-B(3OH)	3-DehydroxyAnthocyanidin	Tricetinidin
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan]-A(1OH)-B(1OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Isoflavan	Claussequinone
0.000	[isoflavene]-A(1OH)-B(2OH, 1OMe)	isoflavene	Sepiol
0.000	[isoflavene]-A(1OH)-B(2OH, 1OMe)	isoflavene	Haginin C
0.000	[Pterocarpan-6a-ol]-A(1OH)-B(1OMe)	Pterocarpan-6a-ol	6a-Hydroxymedicarpin
0.000	[Pterocarpan-6a-ol]-A(1OMe)-B(1OH)	Pterocarpan-6a-ol	6a-Hydroxyisomedicarpin
0.000	[2-Phenylbenzofuran]-A(1OH, 1OMe)-B(1OH, 1OMe)	2-Phenylbenzofuran	Sainfuran
0.000	[2-Phenylbenzofuran]-A(2OMe)-B(2OH)	2-Phenylbenzofuran	2',4'-Dihydroxy-5,6-dimethoxy-2-phenylbenzofuran
0.000	[2-Phenylbenzofuran]-A(1OH)-B(1OH, 2OMe)	2-Phenylbenzofuran	Pterofuran
0.000	[2-Phenylbenzofuran]-A(1OH)-B(1OH, 2OMe)	2-Phenylbenzofuran	Isopterofuran
0.000	[alpha-Methyldeoxybenzoin]-A(1OH, 1OMe)-B(1OMe)	alpha-Methyldeoxybenzoin	2-O-Methylangolensin
0.000	[alpha-Methyldeoxybenzoin]-A(1OH, 1OMe)-B(1OMe)	alpha-Methyldeoxybenzoin	4-O-Methylangolensin
0.000	[4-phenylcoumarin]-A(2OH)-B(2OH)	4-phenylcoumarin	5,7,3',4'-Tetrahydroxy-4-phenylcoumarin
0.000	[[3,2']-Methano-4-phenylchroman (3-OH)]-A(1OH)-B(2OH)	[3,2']-Methano-4-phenylchroman	Brazilin
0.000	[Dalbergiquinol]-A(1OH, 2OMe)-B(1OH)	Dalbergiquinol	Latifolin
0.000	[Dalbergiquinol]-A(1OH, 2OMe)-B(1OH)	Dalbergiquinol	5,3'-Dihydroxy-2,4-dimethoxydalbergiquinol
0.000	[Dalbergiquinol]-A(2OH, 2OMe)-B(none)	Dalbergiquinol	2,5-Dihydroxy-3,4-dimethoxydalbergiquinol

Level: 3, プリカーサーm/z: 269.09399

Splash: splash10-03ka-4900000000-7f70e5149dc1b998a092

m/z	Int.	NL	Rel.Int.
111.02	1437	158	1000
97.01	1429	172	993
124.94	1084	144	754
166.98	349	102	242
139.00	343	130	238
152.98	287	116	199
82.81	205	186	142
84.86	171	184	118
112.76	171	156	118
185.22	154	84	107
194.83	144	74	100
180.75	109	88	75
98.93	105	170	73
224.80	96	44	66
141.15	80	128	55
251.20	76	18	52

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.222	[Isoflavone]-A(1OH)-B(1OMe)	Isoflavone	Formononetin
0.222	[Isoflavone]-A(1OH)-B(1OMe)	Isoflavone	Pallidiflorin
0.222	[Isoflavone]-A(1OMe)-B(1OH)	Isoflavone	Isoformononetin
0.222	[Isoflavone]-A(1OH, 1OMe)-B(none)	Isoflavone	5-Hydroxy-7-methoxyisoflavone
0.071	[Flavonol]-A(none)-B(1OMe)	Flavonol	3-Hydroxy-4'-methoxyflavone
0.000	[Flavone]-A(1OMe)-B(1OH)	Flavone	Isopratol
0.000	[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	Trigraecum
0.000	[Flavone]-A(1OH)-B(1OMe)	Flavone	5-Hydroxy-2'-methoxyflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	5-Hydroxy-6-methoxyflavone
0.000	[Flavone]-A(1OH)-B(1OMe)	Flavone	6-Hydroxy-4'-methoxyflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(none)	Flavone	Tectochrysin
0.000	[Coumestan]-A(1OH)-B(1OH)	Coumestan	Coumestrol
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: 97.02032

Splash: splash10-0uxr-9000000000-d9ce9e2dfa72c92bb777

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
	101.65	328.32121	41.0266	-0.26	[M+ACN+H]+	(6 names) 2-methylheptadecane-1,2-diol; Hexanal dihexyl acetal; 3-methylheptadecane-1,2-diol; 11-methylheptadecane-1,2-diol; Hexadecane, 1,1-dimethoxy-; 1,18-Octadecanediol	ALL 6 KN 1 HM 2 LM 3				1
11770	101.64	287.29463	0.0000	1.31	[M+H]+	(6 names) 2-methylheptadecane-1,2-diol; Hexanal dihexyl acetal; 3-methylheptadecane-1,2-diol; 11-methylheptadecane-1,2-diol; Hexadecane, 1,1-dimethoxy-; 1,18-Octadecanediol	ALL 6 KN 1 HM 2 LM 3	MS2 MS3 x 2	0.167	0.222	1
	101.62	269.28405	-18.0106	-0.27	[M-H2O+H]+	(6 names) 2-methylheptadecane-1,2-diol; Hexanal dihexyl acetal; 3-methylheptadecane-1,2-diol; 11-methylheptadecane-1,2-diol; Hexadecane, 1,1-dimethoxy-; 1,18-Octadecanediol	ALL 6 KN 1 HM 2 LM 3				1

m/z	Int.	NL	Rel.Int.
54.83	618	42	1000
68.90	571	28	923

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

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