ピーク情報

トマト Micro-Tom 花

pos

Peak #11616 MN MID: SE203_S31_M90

m/z: 577.37351, RT: 68.25, 強度: 15527, ログ強度: 0.53, 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: (9 names) Hippuristerone F;(-)-Hippuristerone F;Agosterol E;(5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatrien-3-D-glucopyranoside;Capsicoside A3;Agosterol A;Agosterol D2;Agosterol G;11-O-Acetylagosterol F

DBごとのヒット数: ALL 7 KG 1 KN 5 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.188

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
C33H52O8	576.36622	0.023	(5Z,7E)-25-hydroxy-10-seco-5,7,10(19)-cholestatrien-3alpha-yl beta-D-glucopyranosiduronic acid	LipidMAPS: LMST05010075
C33H52O8	576.36622	0.023	Hippuristerone F	KNApSAcK: C00044804
C33H52O8	576.36622	0.023	Agosterol E	KNApSAcK: C00029654
C33H52O8	576.36622	0.023	(5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatrien-3-D-glucopyranoside	LipidMAPS: LMST03020671
C33H52O8	576.36622	0.023	Diosgenin 3-O-beta-D-glucopyranoside	HMDB: HMDB0029310 KEGG: C20709 KNApSAcK: C00030141, C00032540, C00054916 LipidMAPS: LMST01080094
C33H52O8	576.36622	0.023	Agosterol A	KNApSAcK: C00029648
C33H52O8	576.36622	0.023	Agosterol D2	KNApSAcK: C00029653
C33H52O8	576.36622	0.023	Agosterol G	KNApSAcK: C00029657
C33H52O8	576.36622	0.023	(20S,22R)-3beta-(2'R-hydroxypropionyl)-20,22-acetonide-14alpha,25-dihydroxy-5beta-cholest-7-en-6-one	LipidMAPS: LMST01010595
C33H52O8	576.36622	0.023	(5Z,7E)-3beta-hydroxy-10-seco-5,7,10(19)-cholestatrien-25-yl beta-D-glucopyranosiduronic acid	LipidMAPS: LMST05010074

MSnスペクトル情報

Level: 2, プリカーサーm/z: 577.37341

Splash: splash10-014i-0040960000-9204d4ff660789faafd7

m/z	Int.	NL	Rel.Int.
415.42	3967	162	1000
271.28	1760	306	443
560.63	1631	17	411
558.52	465	19	117
559.57	380	18	95
255.32	313	322	78
541.27	257	36	64

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.000	[Flavone]-A(2OH, 1(1(O-<3-Hydroxy-3-methylglutaryl>)-C-Glu))-B(1OH)	Flavone	Vitexin 6''-(3-hydroxy-3-methylglutarate)
0.000	[Dihydroflavonol]-A(2OH, 1(C-Prenyl))-B(2OH, 1(C-Prenyl), 1Geranyl)	Dihydroflavonol	Sanggenol E

Level: 3, プリカーサーm/z: 415.38116

Splash: splash10-00di-0090000000-37b8bdfaca4eee5707cc

m/z	Int.	NL	Rel.Int.
271.25	1871	144	1000

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Flavonol]-A(2OH, 1OMe, 1(C-Prenyl))-B(1OH, 1OMe)	Flavonol	3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone
[Flavanone]-A(2OH, 1(C-Prenyl))-B(3OMe)	Flavanone	Heteroflavanone C
[Flavanone]-A(2OH, 1(C-Prenyl), 1(2-Hydroxyethyl))-B(1OH, 1OMe)	Flavanone	Laxiflorin
[Flavanone]-A(2OH, 1(1(O-Acetyl)-(E)-4-Hydroxyprenyl))-B(2OH)	Flavanone	Kanzonol S
[Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(1OH)	Flavone	3'-Deoxyderhamnosylmaysin
[Flavone]-A(1OH, 1([2,3:@@]-(8,9-Dihydroxy-7-hydroxymethyl-1,6-dioxaspiro[4,4]non-2-ene)))-B(1OH)	Flavone	Pinnatifinoside A
[Flavone]-A(1OH, 1OMe, 1(C-Digitoxopyranosyl))-B(1OH)	Flavone	Aciculatin
[Flavone]-A(2OH, 1(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl))-B(1OH)	Flavone	6-C-(6-Deoxy-beta-L-ribo-hexopyranos-3-ulos-1-yl)apigenin
[4-substituted Flavan 3-ol (4-(2,4,6-Trihydroxyphenyl))]-A(2OH)-B(2OH)	4-substituted Flavan 3-ol	Prodelphinidin B6
[12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(1OH, 1OMe)	12a-Hydroxyrotenone	Volubinol

Level: 3, プリカーサーm/z: 271.20804

Splash: splash10-0ik9-0890000000-3f0814e728b8748de171

m/z	Int.	NL	Rel.Int.
161.00	277	110	1000
253.25	219	18	789
213.17	88	58	319
189.17	24	82	86
201.25	19	70	70
94.83	18	176	65
148.88	17	122	60

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
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	[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
0.136	[Flavonol]-A(1OH)-B(1OH)	Flavonol	Resokaempferol
0.125	[Flavone]-A(2OH)-B(1OH)	Flavone	5,8,2'-Trihydroxyflavone
0.125	[Flavone]-A(2OH)-B(1OH)	Flavone	5,7,2'-Trihydroxyflavone
0.125	[Flavone]-A(2OH)-B(1OH)	Flavone	Apigenin
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	[Anthocyanidin]-A(2OH)-B(1OH)	Anthocyanidin	Pelargonidin
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	[Isoflavanone]-A(1OH)-B(1OMe)	Isoflavanone	Dihydroformononetin
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	[Chalcone]-A(1OH)-B(1OH, 1OMe)	Chalcone	Echinatin
0.059	[Chalcone]-A(1OH, 1OMe)-B(1OH)	Chalcone	Isoliquiritigenin 2'-methy ether
0.059	[Flavanone]-A(1OMe)-B(1OH)	Flavanone	Methyl-liquiritigenin
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