ピーク情報

トマト Micro-Tom 花

pos

Peak #11338 MN MID: SE203_S31_M90

m/z: 577.37339, RT: 63.69, 強度: 223982, ログ強度: 1.69, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 3

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: 0.182

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	-0.174	(5Z,7E)-25-hydroxy-10-seco-5,7,10(19)-cholestatrien-3alpha-yl beta-D-glucopyranosiduronic acid	LipidMAPS: LMST05010075
C33H52O8	576.36622	-0.174	Hippuristerone F	KNApSAcK: C00044804
C33H52O8	576.36622	-0.174	Agosterol E	KNApSAcK: C00029654
C33H52O8	576.36622	-0.174	(5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatrien-3-D-glucopyranoside	LipidMAPS: LMST03020671
C33H52O8	576.36622	-0.174	Diosgenin 3-O-beta-D-glucopyranoside	HMDB: HMDB0029310 KEGG: C20709 KNApSAcK: C00030141, C00032540, C00054916 LipidMAPS: LMST01080094
C33H52O8	576.36622	-0.174	Agosterol A	KNApSAcK: C00029648
C33H52O8	576.36622	-0.174	Agosterol D2	KNApSAcK: C00029653
C33H52O8	576.36622	-0.174	Agosterol G	KNApSAcK: C00029657
C33H52O8	576.36622	-0.174	(20S,22R)-3beta-(2'R-hydroxypropionyl)-20,22-acetonide-14alpha,25-dihydroxy-5beta-cholest-7-en-6-one	LipidMAPS: LMST01010595
C33H52O8	576.36622	-0.174	(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: 577.37231

Splash: splash10-014i-0030900000-4a7a5085be214862c0b2

m/z	Int.	NL	Rel.Int.
415.34	60092	162	1000
271.20	21870	306	363
416.33	12451	161	207
560.51	6696	17	111
253.18	3553	324	59
272.21	3477	305	57

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: 415.33209

Splash: splash10-00di-0090000000-17f489376d2d5ae68626

m/z	Int.	NL	Rel.Int.
271.19	20025	144	1000
253.18	2682	162	133
283.33	1081	132	53

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: 271.20801

Splash: splash10-0udi-0190000000-c183f200652fe58615eb

m/z	Int.	NL	Rel.Int.
253.18	8208	18	1000
120.98	633	150	77
156.99	622	114	75
159.12	457	112	55

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.182	[Isoflavanone]-A(1OH)-B(1OMe)	Isoflavanone	Dihydroformononetin
0.158	[Flavonol]-A(1OH)-B(1OH)	Flavonol	Resokaempferol
0.154	[Chalcone]-A(1OH)-B(1OH, 1OMe)	Chalcone	Echinatin
0.154	[Flavone]-A(2OH)-B(1OH)	Flavone	5,8,2'-Trihydroxyflavone
0.154	[Flavone]-A(2OH)-B(1OH)	Flavone	5,7,2'-Trihydroxyflavone
0.154	[Flavone]-A(2OH)-B(1OH)	Flavone	Apigenin
0.154	[Flavanone]-A(1OMe)-B(1OH)	Flavanone	Methyl-liquiritigenin
0.083	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OH)	2'-Hydroxychalcone	Isoliquiritigenin 4'-methyl ether
0.083	[2'-Hydroxychalcone]-A(2OH)-B(1OMe)	2'-Hydroxychalcone	Isoliquiritigenin 4-methyl ether
0.083	[2'-Hydroxychalcone]-A(2OH)-B(1OMe)	2'-Hydroxychalcone	2',5'-Dihydroxy-4-methoxychalcone
0.083	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Flemichapparin
0.083	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Larrein
0.083	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	Cardamonin
0.083	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(none)	2'-Hydroxychalcone	2',6'-Dihydroxy-4'-methoxychalcone
0.071	[Flavone]-A(3OH)-B(none)	Flavone	Baicalein
0.071	[Flavone]-A(3OH)-B(none)	Flavone	Norwogonin
0.071	[Flavone]-A(1OH)-B(2OH)	Flavone	7,3',4'-Trihydroxyflavone
0.071	[Flavone]-A(1OH)-B(2OH)	Flavone	5,2',5'-Trihydroxyflavone
0.071	[Chalcone]-A(1OH, 1OMe)-B(1OH)	Chalcone	Isoliquiritigenin 2'-methy ether
0.071	[Anthocyanidin]-A(2OH)-B(1OH)	Anthocyanidin	Pelargonidin
0.071	[Flavanone]-A(1OH)-B(1OMe)	Flavanone	4'-Methylliquiritigenin
0.071	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	7-Hydroxy-8-methoxyflavanone
0.071	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	Alpinetin
0.071	[Flavanone]-A(1OH, 1OMe)-B(none)	Flavanone	Pinostrobin
0.067	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	Demethyltexasin
0.067	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	8-Hydroxydaidzein
0.067	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	5,7,2'-Trihydroxyisoflavone
0.067	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	5,7,3'-Trihydroxyisoflavone
0.067	[Isoflavone]-A(2OH)-B(1OH)	Isoflavone	Genistein
0.067	[Isoflavone]-A(1OH)-B(2OH)	Isoflavone	3'-Hydroxydaidzein
0.067	[Isoflavone]-A(1OH)-B(2OH)	Isoflavone	2'-Hydroxydaidzein
0.050	[Flavonol]-A(2OH)-B(none)	Flavonol	Galangin
0.000	[Pterocarpan]-A(1OH)-B(1OMe)	Pterocarpan	Medicarpin
0.000	[Pterocarpan]-A(1OMe)-B(1OH)	Pterocarpan	Isomedicarpin
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