ピーク情報

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pos

Peak #3292 MN MID: SE199_S11_M90

m/z: 771.21419, RT: 44.70, 強度: 16198, ログ強度: 0.79, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 5

DB検索結果: (11 names) Isovitexin 2''-O-(6'''-feruloyl)glucoside;Petunidin 3-(4'''-p-coumarylrutinoside);Isorhamnetin 3-O-[4-Hydroxy-E-cinnamoyl-(->6)-b-D-glucopyranosyl-(1->2)-a-L-rhamnopyranoside];Isoscoparin 2''-(6-(E)-p...

DBごとのヒット数: ALL 11 KN 11

FlavonoidSearch最大スコア MS2: -, MS3: 1.000

DB検索結果

ppm

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
C37H38O18	770.20581	1.433	Petunidin 3-(4'''-p-coumarylrutinoside)	FlavonoidViewer: [1]FL7AAHGL0012 HMDB: [1]HMDB0301902 KNApSAcK: [1]C00006897 LipidMAPS: [1]LMPK12010359
C37H38O18	770.20581	1.433	Isovitexin 2''-O-(6'''-feruloyl)glucoside	FlavonoidViewer: FL3FAACS0082 HMDB: HMDB0038042 KNApSAcK: C00014082 LipidMAPS: LMPK12110272
C37H38O18	770.20581	1.433	Isorhamnetin 3-(6'''-p-coumaroylglucosyl)-(1->2)-rhamnoside	FlavonoidViewer: FL5FADGS0028 HMDB: HMDB0038252 KNApSAcK: C00013920 LipidMAPS: LMPK12112385
C37H38O18	770.20581	1.433	Isoscoparin 2''-(6-(E)-p-coumaroylglucoside)	FlavonoidViewer: FL3FADCS0015 HMDB: HMDB0037423 KNApSAcK: C00006334 LipidMAPS: LMPK12110752
C37H38O18	770.20581	1.433	Isovitexin 4'-O-glucoside 2''-O-(E)-ferulate	FlavonoidViewer: FL3FAADS0019 KNApSAcK: C00006332 LipidMAPS: LMPK12110304
C37H38O18	770.20581	1.433	Isovitexin 7-O-beta-[6'''-O-(E)-p-feruloyl]glucoside	FlavonoidViewer: FL3FAADS0045 HMDB: HMDB0301976 KNApSAcK: C00014078 LipidMAPS: LMPK12110328
C37H38O18	770.20581	1.433	Isorhamnetin 3-(4'''-p-coumarylrobinobioside)	FlavonoidViewer: FL5FADGA0024 KNApSAcK: C00006015 LipidMAPS: LMPK12112338
C37H38O18	770.20581	1.433	Pelargonidin 3-(6''-ferulylglucoside)-5-glucoside	FlavonoidViewer: [1]FL7AAAGL0030 KNApSAcK: [1]C00006769 LipidMAPS: [1]LMPK12010044
C37H38O18	770.20581	1.433	Peonidin 3-(6''-p-coumarylglucoside)-5-glucoside	FlavonoidViewer: [1]FL7AADGL0019 KNApSAcK: [1]C00006867 LipidMAPS: [1]LMPK12010250
C37H38O18	770.20581	1.433	Rhamnocitrin 3-(5'''-ferulylapiosyl)-(1->2)-glucoside	FlavonoidViewer: FL5FCAGL0009 KNApSAcK: C00005929 LipidMAPS: LMPK12112570
C35H42O6N6S4	770.20487	2.663	Dethio-tetra(methylthio)chetomin	KNApSAcK: C00024016

MSnスペクトル情報

Level: 2, プリカーサーm/z: 771.21198

Splash: splash10-00lr-0019801000-084429449ef39091ad19

m/z	Int.	NL	Rel.Int.
433.09	1866	338	1000
415.23	908	356	486
313.13	883	458	473
337.15	525	434	281
283.19	500	488	267
609.08	480	162	257
367.20	476	404	255
379.24	471	392	252
397.13	321	374	172
753.28	285	18	152
339.23	160	432	85
361.22	160	410	85
591.20	143	180	76
651.12	140	120	75
271.19	113	500	60
445.24	104	326	55

Level: 3, プリカーサーm/z: 433.08917

Splash: splash10-014i-0009700000-4f8304259936ec08735b

m/z	Int.	NL	Rel.Int.
415.12	1274	18	1000
367.14	541	66	424
313.21	296	120	231
337.13	262	96	205
397.07	237	36	185
379.17	169	54	132

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
1.000	[Flavone]-A(2OH, 1(C-Glu))-B(1OH)	Flavone	Neovitexin
1.000	[Flavone]-A(2OH, 1(C-Glu))-B(1OH)	Flavone	Vitexin
1.000	[Flavone]-A(2OH, 1(C-Glu))-B(1OH)	Flavone	Isovitexin
1.000	[Flavonol]-A(1OH, 1(C-Glu))-B(1OH)	Flavonol	8-C-Glucosylresokaempferol
1.000	[Isoflavone]-A(1OH, 1(C-Glu))-B(2OH)	Isoflavone	8-Glucosyl 3'-hydroxydaidzein
1.000	[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: 415.23303

Splash: splash10-00ks-0009000000-94ea09355c9cc1cc128b

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.050	[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.
337.11	485	78	1000
367.11	317	48	653
397.21	269	18	553
379.11	127	36	262
295.15	58	120	119
283.17	39	132	79