ピーク情報

トマト Micro-Tom 花

pos

Peak #8617 MN MID: SE203_S31_M90

m/z: 595.38513, RT: 50.15, 強度: 71696, ログ強度: 1.20, 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: (5 names) Capsicoside A1;Aldecalmycin;Dioseptemloside B;(-)-Dioseptemloside B;6-O-(Glcb)-(25R)-5alpha-spirostan-3beta,6alpha-diol

DBごとのヒット数: ALL 4 KN 2 HM 1 LM 1

FlavonoidSearch最大スコア MS2: 0.100, MS3: 0.125

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
C33H54O9	594.37678	1.797	Capsicoside A1	HMDB: HMDB0303762
C33H54O9	594.37678	1.797	Aldecalmycin	KNApSAcK: C00017220
C33H54O9	594.37678	1.797	Dioseptemloside B	KNApSAcK: C00033779
C33H54O9	594.37678	1.797	6-O-(Glcb)-(25R)-5alpha-spirostan-3beta,6alpha-diol	LipidMAPS: LMST01080087

MSnスペクトル情報

Level: 2, プリカーサーm/z: 595.38470

Splash: splash10-001i-0010910000-36bbdc4d00a53760afef

m/z	Int.	NL	Rel.Int.
433.34	10438	162	1000
415.35	3951	180	378
576.56	1814	19	173
273.23	1624	322	155
577.45	1176	18	112

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.100	[Flavone]-A(2OH, 2(C-Glu))-B(1OH)	Flavone	Vicenin 2
0.100	[Isoflavone]-A(2OH, 2(C-Glu))-B(1OH)	Isoflavone	Paniculatin
0.000	[UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone]-A(2OH, 1(C-Glu), 1([3,2:m,n]-(Epoxy-C-glucosyl)))-B(1OH)	UBR-type derivative / 2'-Oxocyclohexa-3',6'-dienyl-type Chalcone	Safflor yellow A
0.000	[3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH)	3-substituted Flavone	3,6-Di-C-glucosylapigenin
0.000	[3-substituted Flavone (3-C-Glu)]-A(2OH, 1(C-Glu))-B(1OH)	3-substituted Flavone	3,8-Di-C-glucopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(C-Galactosyl), 1(C-Galactosyl))-B(1OH)	Flavone	6,8-Di-C-galactopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Galactosyl))-B(1OH)	Flavone	6-C-Glucopyranosyl-8-C-galactopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(1(O-(E)-p-Coumaroyl)-C-Glu))-B(2OH)	Flavone	Isoorientin 2''-O-(E)-p-coumarate
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe)	Flavone	6-C-Xylopyranosyl-8-C-glucopyranosylchrysoeriol
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Xylosyl))-B(1OH, 1OMe)	Flavone	6-C-Glucopyranosyl-8-C-xylopyranosylchrysoeriol
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe)	Flavone	Chrysoeriol 6-C-glucoside-8-C-arabinopyranoside
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Arabinosyl))-B(1OH, 1OMe)	Flavone	Chrysoeriol 6-C-arabinopyranoside-8-C-glucoside
0.000	[Flavone]-A(2OH, 1(C-Glu), 1(C-Rhamnosyl))-B(2OH)	Flavone	Elatin
0.000	[Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe)	Flavone	6,8-Di-C-arabinopyranosyltricin
0.000	[Flavone]-A(2OH, 2(C-Arabinosyl))-B(1OH, 2OMe)	Flavone	6,8-Di-C-arabinopyranosylapometzgerin

Level: 3, プリカーサーm/z: 433.34320

Splash: splash10-00di-0090200000-315c4029bff1b1e687ab

m/z	Int.	NL	Rel.Int.
273.22	5338	160	1000
415.31	1819	18	340
255.16	331	178	61

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.125	[Flavone]-A(2OH, 1(C-Glu))-B(1OH)	Flavone	Neovitexin
0.125	[Flavone]-A(2OH, 1(C-Glu))-B(1OH)	Flavone	Vitexin
0.125	[Flavone]-A(2OH, 1(C-Glu))-B(1OH)	Flavone	Isovitexin
0.125	[Flavonol]-A(1OH, 1(C-Glu))-B(1OH)	Flavonol	8-C-Glucosylresokaempferol
0.125	[Isoflavone]-A(1OH, 1(C-Glu))-B(2OH)	Isoflavone	8-Glucosyl 3'-hydroxydaidzein
0.125	[Isoflavone]-A(2OH, 1(C-Glu))-B(1OH)	Isoflavone	Genistein 8-C-glucoside
0.000	[Flavone]-A(3OMe)-B(4OMe)	Flavone	Agehoustin B
0.000	[Flavone]-A(4OMe)-B(3OMe)	Flavone	5,6,7,8,3',4',5'-Heptamethoxyflavone
0.000	[Flavone]-A(4OMe)-B(3OMe)	Flavone	Agecorynin C
0.000	[Chalcone]-A(2OMe, 1([@@]-Methylenedioxy))-B(4OMe)	Chalcone	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
0.000	[Flavanone]-A(1OH, 1([2,3:@@]-(4-(p-Hydroxyphenyl)-6-oxodihydropyrano)))-B(1OMe)	Flavanone	Calomelanol G
0.000	[Flavone]-A(2OH, 1(C-Galactosyl))-B(1OH)	Flavone	8-C-beta-D-Galactopyranosylapigenin
0.000	[Flavone]-A(2OH, 1(C-Galactosyl))-B(1OH)	Flavone	6-C-beta-D-Galactosylapigenin
0.000	[Flavone]-A(2OH, 1(C-Chinovosyl))-B(2OH)	Flavone	6-C-Chinovopyranosylluteolin
0.000	[Flavone]-A(2OH, 1(C-Fucosyl))-B(2OH)	Flavone	6-C-Fucopyranosylluteolin
0.000	[Flavone]-A(2OH, 1(C-Rhamnosyl))-B(2OH)	Flavone	8-C-Rhamnopyranosylluteolin
0.000	[Flavone]-A(2OH, 1(C-Xylosyl))-B(1OH, 1OMe)	Flavone	5,7,4'-Trihydroxy-3'-methoxyflavone-8-C-beta-D-xylopyranoside
0.000	[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Artocommunol CA
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(3OMe)	Flavonol	3,5,6,7,3',4',5'-Heptamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(3OMe)	Flavonol	Benthamitin
0.000	[Flavonol (3-OMe)]-A(3OMe)-B(3OMe)	Flavonol	Hibiscetin heptamethyl ether
0.000	[Flavonol (3-OMe)]-A(4OMe)-B(2OMe)	Flavonol	3,5,6,7,8,3',4'-Heptamethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OMe, 1([@@]-Methylenedioxy))-B(1OH, 2OMe)	Flavonol	3'-Hydroxy-3,5,8,4',5'-pentamethoxy-6,7-methylenedioxyflavone

Level: 3, プリカーサーm/z: 415.35382

Splash: splash10-00di-0091000000-0b8ef02bb52ad7dbd0de

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.063	[Flavanone]-A(2OH, 1(C-Prenyl))-B(3OMe)	Flavanone	Heteroflavanone C
0.000	[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
0.000	[Flavanone]-A(2OH, 1(C-Prenyl), 1(2-Hydroxyethyl))-B(1OH, 1OMe)	Flavanone	Laxiflorin
0.000	[Flavanone]-A(2OH, 1(1(O-Acetyl)-(E)-4-Hydroxyprenyl))-B(2OH)	Flavanone	Kanzonol S
0.000	[Flavone]-A(2OH, 1(3,4-Dihydroxy-6-methyl-5-oxotetrahydro-2-pyranyl))-B(1OH)	Flavone	3'-Deoxyderhamnosylmaysin
0.000	[Flavone]-A(1OH, 1([2,3:@@]-(8,9-Dihydroxy-7-hydroxymethyl-1,6-dioxaspiro[4,4]non-2-ene)))-B(1OH)	Flavone	Pinnatifinoside A
0.000	[Flavone]-A(1OH, 1OMe, 1(C-Digitoxopyranosyl))-B(1OH)	Flavone	Aciculatin
0.000	[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
0.000	[4-substituted Flavan 3-ol (4-(2,4,6-Trihydroxyphenyl))]-A(2OH)-B(2OH)	4-substituted Flavan 3-ol	Prodelphinidin B6
0.000	[12a-Hydroxyrotenone]-A(1([2,3:@@]-(5-(2-Hydroxy-1-methylethyl)dihydrofurano)))-B(1OH, 1OMe)	12a-Hydroxyrotenone	Volubinol

m/z	Int.	NL	Rel.Int.
273.20	1717	142	1000
397.47	193	18	112