ピーク情報

トマト Micro-Tom 花

pos

Peak #11322 MN MID: SE203_S31_M90

m/z: 414.33674, RT: 63.32, 強度: 10816, 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）: 1

DB検索結果: (19 names) Chuanbeinone;Veralkamine;Docosahexaenoylcholine;Camtschatcanidine;Isorubijervine;Ebeienine;Solasodine;Terminamine F;25beta-Hydroxyverazine;(-)-25beta-Hydroxyverazine;(25S)-22,26-iminocholesta-5,22(N)-...

DBごとのヒット数: ALL 16 KG 1 KN 11 HM 2 LM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.250

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
C27H43O2N	413.32938	0.200	Chuanbeinone	KNApSAcK: C00028051, C00028154, C00028234, C00028236, C00028357, C00028888, C00029015, C00029034
C27H43O2N	413.32938	0.200	Docosahexaenoylcholine	HMDB: [1]HMDB0240647
C27H43O2N	413.32938	0.200	Veralkamine	KNApSAcK: C00029186
C27H43O2N	413.32938	0.200	Camtschatcanidine	KNApSAcK: C00028004
C27H43O2N	413.32938	0.200	Isorubijervine	KNApSAcK: C00028412
C27H43O2N	413.32938	0.200	Ebeienine	KNApSAcK: C00028229, C00029265
C27H43O2N	413.32938	0.200	Solasodine	HMDB: HMDB0035282 KEGG: C10822 KNApSAcK: C00002264, C00029137 LipidMAPS: LMST01150004, LMST01150005
C27H43O2N	413.32938	0.200	Terminamine F	KNApSAcK: C00053816
C27H43O2N	413.32938	0.200	25beta-Hydroxyverazine	KNApSAcK: C00049937
C27H43O2N	413.32938	0.200	(25S)-22,26-iminocholesta-5,22(N)-dien-3beta,16beta-diol	LipidMAPS: LMST01150008, LMST01150011
C27H43O2N	413.32938	0.200	Rubijervine	KNApSAcK: C00028946
C27H43O2N	413.32938	0.200	solanid-5-en-3beta,23S-diol	LipidMAPS: LMST01150009
C27H43O2N	413.32938	0.200	Hupehenizine	KNApSAcK: C00028359
C27H43O2N	413.32938	0.200	4beta-Hydroxyverazine	KNApSAcK: C00049952
C27H43O2N	413.32938	0.200	Fritillarizine	KNApSAcK: C00028280
C27H43O2N	413.32938	0.200	5alpha-Tomatidan-3-one	HMDB: HMDB0031913

MSnスペクトル情報

Level: 2, プリカーサーm/z: 414.33658

Splash: splash10-0002-0029000000-e844155f488104c5cdf1

m/z	Int.	NL	Rel.Int.
396.38	23021	18	1000
271.29	5281	143	229
161.08	1565	253	67

Level: 3, プリカーサーm/z: 396.39944

Splash: splash10-00di-0590000000-d1a0b3047807bcf88c1b

m/z	Int.	NL	Rel.Int.
271.28	2571	125	1000
161.01	1211	235	470
253.15	580	143	225
126.05	445	270	173
396.50	339	-0	131
148.93	195	247	75
213.20	172	183	66

Level: 3, プリカーサーm/z: 271.22650

Splash: splash10-0ik9-0790000000-5387d252b089891a3f04

m/z	Int.	NL	Rel.Int.
253.23	1203	18	1000
161.06	1055	110	877
213.17	321	58	266
197.23	92	74	76
149.12	78	122	65
106.95	63	164	52
121.01	61	150	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.250	[Flavonol]-A(1OH)-B(1OH)	Flavonol	Resokaempferol
0.200	[Chalcone]-A(1OH)-B(1OH, 1OMe)	Chalcone	Echinatin
0.200	[Flavone]-A(2OH)-B(1OH)	Flavone	5,8,2'-Trihydroxyflavone
0.200	[Flavone]-A(2OH)-B(1OH)	Flavone	5,7,2'-Trihydroxyflavone
0.200	[Flavone]-A(2OH)-B(1OH)	Flavone	Apigenin
0.188	[Isoflavone]-A(1OH)-B(2OH)	Isoflavone	3'-Hydroxydaidzein
0.188	[Isoflavone]-A(1OH)-B(2OH)	Isoflavone	2'-Hydroxydaidzein
0.182	[Pterocarpan]-A(1OH)-B(1OMe)	Pterocarpan	Medicarpin
0.143	[Isoflavanone]-A(1OH)-B(1OMe)	Isoflavanone	Dihydroformononetin
0.143	[2'-Hydroxychalcone]-A(2OH)-B(1OMe)	2'-Hydroxychalcone	Isoliquiritigenin 4-methyl ether
0.143	[2'-Hydroxychalcone]-A(2OH)-B(1OMe)	2'-Hydroxychalcone	2',5'-Dihydroxy-4-methoxychalcone
0.125	[Flavone]-A(3OH)-B(none)	Flavone	Baicalein
0.125	[Flavone]-A(3OH)-B(none)	Flavone	Norwogonin
0.125	[Flavone]-A(1OH)-B(2OH)	Flavone	7,3',4'-Trihydroxyflavone
0.125	[Flavone]-A(1OH)-B(2OH)	Flavone	5,2',5'-Trihydroxyflavone
0.125	[Flavanone]-A(1OH)-B(1OMe)	Flavanone	4'-Methylliquiritigenin
0.125	[Chalcone]-A(1OH, 1OMe)-B(1OH)	Chalcone	Isoliquiritigenin 2'-methy ether
0.125	[Anthocyanidin]-A(2OH)-B(1OH)	Anthocyanidin	Pelargonidin
0.125	[Flavanone]-A(1OMe)-B(1OH)	Flavanone	Methyl-liquiritigenin
0.118	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	Demethyltexasin
0.118	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	8-Hydroxydaidzein
0.118	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	5,7,2'-Trihydroxyisoflavone
0.118	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	5,7,3'-Trihydroxyisoflavone
0.118	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	Genistein
0.091	[Flavonol]-A(2OH)-B(none)	Flavonol	Galangin
0.083	[Pterocarpan]-A(1OMe)-B(1OH)	Pterocarpan	Isomedicarpin
0.067	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Isoliquiritigenin 4'-methyl ether
0.067	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Flemichapparin
0.067	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Larrein
0.067	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Cardamonin
0.067	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	2',6'-Dihydroxy-4'-methoxychalcone
0.059	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	7-Hydroxy-8-methoxyflavanone
0.059	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	Alpinetin
0.059	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	Pinostrobin
0.000	[Aurone]-A(1OH)-B(2OH)	Aurone	Sulfuretin
0.000	[Aurone]-A(2OH)-B(1OH)	Aurone	4,6,4'-Trihydroxyaurone
0.000	[UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone (alpha-OMe)]-A(1OMe)-B(none)	UBR-type derivative / 2',5'-Dioxo-3'-cyclopentenyl-type Calcone	Methyllucidone
0.000	[UBR-type derivative / 3',5'-Dioxo-1'-cyclopentenyl-type Dihydrocalcone]-A(3Methyl)-B(none)	UBR-type derivative / 3',5'-Dioxo-1'-cyclopentenyl-type Dihydrocalcone	4-Hydrocinnamoyl-2,2,5-trimethyl-4-cyclopentene-1,3-dione
0.000	[Flavanone]-A(2OH, 1Methyl)-B(none)	Flavanone	Strobopinin
0.000	[Flavanone]-A(2OH, 1Methyl)-B(none)	Flavanone	Cryptostrobin
0.000	[Flavan]-A(1OMe, 1Methyl)-B(1OH)	Flavan	4'-Hydroxy-7-methoxy-8-methylflavan
0.000	[Flavan]-A(1OH)-B(1([@@]-Methylenedioxy))	Flavan	7-Hydroxy-3',4'-methylenedioxyflavan
0.000	[Flavan]-A(2OMe)-B(none)	Flavan	Tephrowatsin E
0.000	[Flavan]-A(1OH, 1OMe, 1Methyl)-B(none)	Flavan	7-Hydroxy-5-methoxy-6-methylflavan
0.000	[3-DehydroxyAnthocyanidin]-A(2OH)-B(2OH)	3-DehydroxyAnthocyanidin	Luteolinidin
0.000	[isoflavene]-A(1OH)-B(1OH, 1OMe)	isoflavene	Haginin B
0.000	[2-Phenylbenzofuran]-A(1OMe)-B(1OH, 1OMe)	2-Phenylbenzofuran	Vignafuran
0.000	[2-Phenylbenzofuran]-A(1([@@]-Methylenedioxy))-B(2OH)	2-Phenylbenzofuran	2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran
0.000	[Dalbergiquinol]-A(1OH, 2OMe)-B(none)	Dalbergiquinol	5-Hydroxy-2,4-dimethoxydalbergiquinol
0.000	[UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(1OH)	UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol	4'-Hydroxy-4-methoxydalbergione