ピーク情報

トマト Micro-Tom 花

pos

Peak #12265 MN MID: SE203_S31_M90

m/z: 329.26856, RT: 80.22, 強度: 12600, ログ強度: 0.44, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 4

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: 0.133, 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	-0.236	Avocadene 4-acetate	HMDB: HMDB0031045 LipidMAPS: LMFA05000642
C19H36O4	328.26136	-0.236	MG(16:1(9Z)/0:0/0:0)	HMDB: HMDB0011565, HMDB0243951
C19H36O4	328.26136	-0.236	Avocadene 1-acetate	HMDB: HMDB0031043 LipidMAPS: LMFA05000640, LMFA05000715
C19H36O4	328.26136	-0.236	MG(0:0/16:1(9Z)/0:0)	HMDB: HMDB0011534
C19H36O4	328.26136	-0.236	Avocadene 2-acetate	HMDB: HMDB0031044 LipidMAPS: LMFA05000641
C19H36O4	328.26136	-0.236	Nonadecane-1,19-dioic acid	LipidMAPS: LMFA01170135
C19H36O4	328.26136	-0.236	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: 329.26852

Splash: splash10-03di-0159000000-0578709622561d11e143

m/z	Int.	NL	Rel.Int.
311.27	11404	18	1000
237.22	3965	92	347
219.14	2777	110	243
149.10	699	180	61
255.21	582	74	51
135.06	572	194	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.133	[Chalcone]-A(4OMe)-B(none)	Chalcone	2',3',4',6'-Tetramethoxychalcone
0.100	[Flavonol]-A(2OMe)-B(1OMe)	Flavonol	3-Hydroxy-7,8,4'-trimethoxyflavone
0.083	[Isoflavone]-A(1OMe)-B(1OH, 2OMe)	Isoflavone	2'-Hydroxy-7,3',4'-trimethoxyisoflavone
0.083	[Isoflavone]-A(1OH, 2OMe)-B(1OMe)	Isoflavone	5-Methoxyafrormosin
0.083	[Isoflavone]-A(1OH, 2OMe)-B(1OMe)	Isoflavone	7,4'-Di-O-methyltectorigenin
0.083	[Isoflavone]-A(1OH, 2OMe)-B(1OMe)	Isoflavone	Iso-5-methoxyafrormosin
0.083	[Isoflavone]-A(1OH)-B(3OMe)	Isoflavone	7-Hydroxy-2',4',5'-trimethoxyisoflavone
0.083	[Isoflavone]-A(1OH, 1OMe)-B(2OMe)	Isoflavone	Cladrastin
0.083	[Isoflavone]-A(1OH, 1OMe)-B(2OMe)	Isoflavone	7-Hydroxy-8,3',4'-trimethoxyisoflavone
0.048	[Flavonol]-A(3OMe)-B(none)	Flavonol	3-Hydroxy-5,7,8-trimethoxyflavone
0.048	[Flavonol]-A(1OMe)-B(2OMe)	Flavonol	Fisetin 7,3',4'-trimethyl ether
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	[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: 311.34198

Splash: splash10-00kr-0590000000-3f08cb483d6506e7ae3a

m/z	Int.	NL	Rel.Int.
237.24	1891	74	1000
219.19	1219	92	644
149.02	240	162	127
135.10	186	176	98
163.08	168	148	88
153.00	167	158	88
255.16	167	56	88
139.12	161	172	84
122.95	154	188	81
167.03	153	144	80
120.96	126	190	66
136.98	121	174	63
185.07	109	126	57
171.15	106	140	55
195.05	105	116	55
181.13	105	130	55
109.06	103	202	54

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: 237.27029

Splash: splash10-014i-3790000000-b4f691f2dff7f4995495

m/z	Int.	NL	Rel.Int.
219.14	698	18	1000
149.02	134	88	192
135.06	132	102	188
94.96	107	142	152
120.96	93	116	133
109.04	92	128	132
122.97	80	114	113
80.95	76	156	109
96.99	62	140	89
163.11	44	74	63
177.14	36	60	51