ピーク情報

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Peak #8855 MN MID: SE205_S02_M90

m/z: 329.26863, RT: 79.42, 強度: 334838, ログ強度: 2.00, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (7 names) Avocadene 4-acetate;Avocadene 1-acetate;MG(16:1(9Z)/0:0/0:0);MG(0:0/16:1(9Z)/0:0);Nonadecane-1,19-dioic acid;Avocadene 2-acetate;Methyl 8-[3-(2-hydroxyoctyl)oxiran-2-yl]octanoate

DBごとのヒット数: ALL 7 HM 3 LM 4

FlavonoidSearch最大スコア MS2: 0.071, 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
C19H36O4	328.26136	-0.029	Avocadene 4-acetate	HMDB: HMDB0031045 LipidMAPS: LMFA05000642
C19H36O4	328.26136	-0.029	MG(16:1(9Z)/0:0/0:0)	HMDB: HMDB0011565, HMDB0243951
C19H36O4	328.26136	-0.029	Avocadene 1-acetate	HMDB: HMDB0031043 LipidMAPS: LMFA05000640, LMFA05000715
C19H36O4	328.26136	-0.029	MG(0:0/16:1(9Z)/0:0)	HMDB: HMDB0011534
C19H36O4	328.26136	-0.029	Avocadene 2-acetate	HMDB: HMDB0031044 LipidMAPS: LMFA05000641
C19H36O4	328.26136	-0.029	Nonadecane-1,19-dioic acid	LipidMAPS: LMFA01170135
C19H36O4	328.26136	-0.029	Methyl 8-[3-(2-hydroxyoctyl)oxiran-2-yl]octanoate	HMDB: HMDB0246127

MSnスペクトル情報

Level: 2, プリカーサーm/z: 329.26822

Splash: splash10-03di-0059000000-73e6b46e1b17c0f352c7

m/z	Int.	NL	Rel.Int.
311.24	195890	18	1000
237.19	68711	92	350
219.23	54972	110	280
149.11	13047	180	66

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.071	[Chalcone]-A(4OMe)-B(none)	Chalcone	2',3',4',6'-Tetramethoxychalcone
0.043	[Isoflavone]-A(1OMe)-B(1OH, 2OMe)	Isoflavone	2'-Hydroxy-7,3',4'-trimethoxyisoflavone
0.043	[Isoflavone]-A(1OH, 2OMe)-B(1OMe)	Isoflavone	5-Methoxyafrormosin
0.043	[Isoflavone]-A(1OH, 2OMe)-B(1OMe)	Isoflavone	7,4'-Di-O-methyltectorigenin
0.043	[Isoflavone]-A(1OH, 2OMe)-B(1OMe)	Isoflavone	Iso-5-methoxyafrormosin
0.043	[Isoflavone]-A(1OH)-B(3OMe)	Isoflavone	7-Hydroxy-2',4',5'-trimethoxyisoflavone
0.043	[Isoflavone]-A(1OH, 1OMe)-B(2OMe)	Isoflavone	Cladrastin
0.043	[Isoflavone]-A(1OH, 1OMe)-B(2OMe)	Isoflavone	7-Hydroxy-8,3',4'-trimethoxyisoflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	Grantionin
0.000	[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	Zapotinin
0.000	[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	5-Hydroxy-7,2',5'-trimethoxyflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	5-Hydroxy-7,2',6'-trimethoxyflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	Luteolin 5,3',4'-trimethyl ether
0.000	[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	Luteolin 7,3',4'-trimethyl ether
0.000	[Flavone]-A(1OH, 1OMe)-B(2OMe)	Flavone	Noratocarpetin 7,2',4'-trimethyl ether
0.000	[Flavone]-A(1OH, 2OMe)-B(1OMe)	Flavone	6-Hydroxy-5,7,4'-trimethoxyflavone
0.000	[Flavone]-A(1OH, 2OMe)-B(1OMe)	Flavone	Salvigenin
0.000	[Flavone]-A(1OH, 2OMe)-B(1OMe)	Flavone	7-Hydroxy-5,8,2'-trimethoxyflavone
0.000	[Flavone]-A(1OH, 2OMe)-B(1OMe)	Flavone	Andrographin
0.000	[Flavone]-A(1OH, 2OMe)-B(1OMe)	Flavone	Isoscutellarein 7,8,4'-trimethyl ether
0.000	[Flavone]-A(1OH, 3OMe)-B(none)	Flavone	8-Hydroxy-5,6,7-trimethoxyflavone
0.000	[Flavone]-A(1OH, 3OMe)-B(none)	Flavone	Alnetin
0.000	[Flavonol]-A(3OMe)-B(none)	Flavonol	3-Hydroxy-5,7,8-trimethoxyflavone
0.000	[Flavonol]-A(2OMe)-B(1OMe)	Flavonol	3-Hydroxy-7,8,4'-trimethoxyflavone
0.000	[Flavonol]-A(1OMe)-B(2OMe)	Flavonol	Fisetin 7,3',4'-trimethyl ether
0.000	[Aurone]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1OMe)	Aurone	6,3'-Dihydroxy-4,4'-dimethoxy-5-methylaurone
0.000	[Aurone]-A(1OH, 2OMe)-B(1OMe)	Aurone	5-Hydroxy-4,6,4'-trimethoxyaurone
0.000	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1([@@]-Methylenedioxy))	2'-Hydroxychalcone	Tephrone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OH, 1OMe, 1Formyl, 1Methyl)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	3'-Formyl-2',6',beta-trihydroxy-4'-methoxy-5'-methylchalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe)-B(1([@@]-Methylenedioxy))	beta-Hydroxy(or Oxodihydro)chalcone	Milletenone
0.000	[UBR-type derivative / 2',4'-Dioxo-6'-cyclohexenyl-type Chalcone]-A(1OH, 4Methyl)-B(1OH)	UBR-type derivative / 2',4'-Dioxo-6'-cyclohexenyl-type Chalcone	2-Hydroxy-7,8-dehydrograndiflorone
0.000	[Flavanone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavanone	7,2'-Dimethoxy-4',5'-methylenedioxyflavanone
0.000	[Flavanone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavanone	6,7-Dimethoxy-3',4'-methylenedioxyflavanone
0.000	[Flavanone]-A(2OMe, 1Hydroxymethyl, 1Methyl)-B(none)	Flavanone	5-O-Methylleridol
0.000	[Flavanone]-A(1OH, 1OMe, 2Methyl)-B(1OMe)	Flavanone	5-Hydroxy-7,4'-dimethoxy-6,8-di-C-methylflavanone
0.000	[Flavanone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavanone	5,7-Dimethoxy-3',4'-methylenedioxyflavanone
0.000	[Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe)	Flavanone	Betagarin
0.000	[Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe)	Flavanone	5,4'-Dimethoxy-6,7-methylenedioxyflavanone
0.000	[Flavone]-A(1OH, 1OMe, 2Methyl)-B(2OH)	Flavone	5,3',4'-Trihydroxy-7-methoxy-6,8-dimethylflavone
0.000	[Flavone]-A(2OH, 1([@@]-Methylenedioxy))-B(1OMe)	Flavone	Kanzakiflavone 1
0.000	[Dihydroflavonol]-A(2OH)-B(none)-C(1(O-Propionyl))	Dihydroflavonol	Pinobanksin 3-O-propionate
0.000	[Dihydroflavonol]-A(1OH, 1OMe)-B(none)-C(1(O-Acetyl))	Dihydroflavonol	3,5-Dihydroxy-7-methoxyflavanone 3-O-acetate
0.000	[Dihydroflavonol]-A(2OH, 1Methyl)-B(none)-C(1(O-Acetyl))	Dihydroflavonol	6-Methypinobanksin 3-O-acetate
0.000	[Flavonol (3-OMe)]-A(2OMe)-B(1OH)	Flavonol	Kaempferol 3,5,7-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(1OMe)	Flavonol	Kaempferol 3,7,4'-trimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe, 1Methyl)-B(1OH)	Flavonol	8-Demethyllatifolin
0.000	[Flavonol]-A(1OH, 1OMe, 2Methyl)-B(1OH)	Flavonol	6,8-Di-C-methylkaempferol 7-methyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 2Methyl)-B(1OH)	Flavonol	5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-6,8-dimethyl-4H-1-benzopyran-4-one
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none)	Flavonol	Alnustin
0.000	[Flavonol (3-OMe)]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH)	Flavonol	5,4'-Dihydrox-3-methoxy-6,7-methylenedioxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none)	Flavonol	7-Hydroxy-3,5,8-trimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(1OH, 2OMe)-B(none)	Flavonol	Methylgnaphaliin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe, 1Methyl)-B(none)	Flavonol	Platanin 3,7-dimethyl ether
0.000	[CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol (4-OMe)]-A(1OH)-B(1([@@]-Methylenedioxy))	CCS-type derivative / [3,2']-Epoxymethanoflavan 4-ol	4-O-Methyl-3',4'-methylenedioxymopanan-4alpha-ol
0.000	[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Isoflavone	5,3'-Dihydroxy-2'-methoxy-6,7-methylenedioxyisoflavone
0.000	[Isoflavone]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Dalspinin
0.000	[Isoflavone]-A(1OH, 1([@@]-Methylenedioxy))-B(1OH, 1OMe)	Isoflavone	5,4'-Trihydroxy-3'-methoxy-6,7-methylenedioxyisoflavone
0.000	[Isoflavanone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Isoflavanone	6,7-Dimethoxy-3',4'-methylenedioxyisoflavanone
0.000	[Pterocarpan]-A(2OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan	2-Methoxypterocarpin
0.000	[Pterocarpan]-A(2OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan	4-Methoxypterocarpin
0.000	[Pterocarpan-6a-ol]-A(1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Acanthocarpan
0.000	[Pterocarpan-6-ol (3-OMe)]-A(1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan-6-ol	6-Methoxypterocarpin
0.000	[UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene]-A(1OH, 1OMe)-B(1OMe)	UBR-type derivative / [9,10]-Benzoquinonyl-type Pterocarpene	Bryaquinone
0.000	[Pterocarpene]-A(1OMe)-B(1OH, 2OMe)	Pterocarpene	Bryacarpene 2
0.000	[Pterocarpene]-A(1OH, 1OMe)-B(2OMe)	Pterocarpene	Bryacarpene 4
0.000	[4-phenylcoumarin]-A(2OMe)-B(1OH, 1OMe)	4-phenylcoumarin	3'-Hydroxy-5,7,4'-trimethoxy-4-phenylcoumarin
0.000	[4-phenylcoumarin]-A(1OH, 2OMe)-B(1OMe)	4-phenylcoumarin	Exostemin

Level: 3, プリカーサーm/z: 311.22021

Splash: splash10-000i-0590000000-eb5fc2f4d30c23be4f1a

m/z	Int.	NL	Rel.Int.
237.28	17172	74	1000
219.22	10651	92	620
135.05	2907	176	169
149.08	2478	162	144
121.03	2118	190	123
163.12	1830	148	106
139.11	1820	172	105
167.12	1550	144	90
109.04	1513	202	88
255.31	1366	56	79
153.09	1349	158	78
195.11	1027	116	59
124.94	979	186	56

Symbolized Name	MSMS-Category	MSMS-Aglycone
[2-Benzyl-2-hydroxydihydrobenzofuran (2,3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	2-Benzyl-2-hydroxydihydrobenzofuran	Castillene B
[Dihydrochalcone beta-ol (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Dihydrochalcone beta-ol	Ovalitenin B
[Flavone]-A(2OH, 1(2-Oxoethyl))-B(none)	Flavone	6-(2-Oxoethyl)-5,7-dihydroxyflavone
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(1([@@]-Methylenedioxy))	Isoflavone	Maximaisoflavone A
[Coumestan]-A(1OMe)-B(1([@@]-Methylenedioxy))	Coumestan	Flemichapparin C

Level: 3, プリカーサーm/z: 237.23688

Splash: splash10-014i-2690000000-ea345297108379f9b3c1

m/z	Int.	NL	Rel.Int.
219.18	8565	18	1000
149.02	1617	88	188
135.08	1473	102	171
80.98	1045	156	122
122.92	930	114	108
109.02	820	128	95
136.98	676	100	78
163.18	541	74	63
94.96	488	142	56
82.93	442	154	51