ピーク情報

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Peak #4125 MN MID: SE199_S41_M90

m/z: 515.15506, RT: 48.10, 強度: 179477, ログ強度: 1.66, アダクト: [M-H2O+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (19 names) Orientin 2''-O-(2'''-methylbutyrate);Isoscutellarein 4'-methyl ether 8-(6''-n-butylglucuronide);5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranosiduronic acid butyl este...

DBごとのヒット数: ALL 12 KG 2 KN 8 HM 1 LM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.217

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
C26H28O12	532.15808	0.514	2''-O-(2'''-Methylbutyryl)orientin	FlavonoidViewer: FL3FACCS0063 KNApSAcK: C00014105 LipidMAPS: LMPK12110531
C26H28O12	532.15808	0.514	Isoscutellarein 4'-methyl ether 8-(6''-n-butylglucuronide)	FlavonoidViewer: FL3FFAGS0017 KNApSAcK: C00013646 LipidMAPS: LMPK12111355
C26H28O12	532.15808	0.514		LipidMAPS: LMPR0103540019
C26H28O12	532.15808	0.514	Flavonol 3-O-D-xylosylglucoside	KEGG: C04068, C04193
C26H28O12	532.15808	0.514	Leptostachyol acetate	KNApSAcK: C00051246
C26H28O12	532.15808	0.514	Flavonol 3-O-D-xylosylglycoside	KEGG: C04069
C26H28O12	532.15808	0.514	Sinocrassoside B2	KNApSAcK: C00032133
C26H28O12	532.15808	0.514	Antibiotic MM 44787	KNApSAcK: C00017904
C26H28O12	532.15808	0.514	Styraxlignolide B	KNApSAcK: C00043931
C26H28O12	532.15808	0.514	Sesaminol glucoside	HMDB: HMDB0041209
C26H28O12	532.15808	0.514	5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside	FlavonoidViewer: FL3FA9GM0001 KNApSAcK: C00013728 LipidMAPS: LMPK12110144
C26H28O12	532.15808	0.514	Luteolin 7-[6''-(2-methylbutyryl)glucoside]	FlavonoidViewer: FL3FACGS0066 KNApSAcK: C00004503 LipidMAPS: LMPK12110701

MSnスペクトル情報

Level: 2, プリカーサーm/z: 515.15485

Splash: splash10-0006-0097200000-84a462002016f4b7b4e0

m/z	Int.	NL	Rel.Int.
243.04	43754	272	1000
353.21	13932	162	318
381.21	11809	134	269
272.07	8461	243	193
325.23	6063	190	138
352.15	5690	163	130
433.26	4874	82	111
461.26	4672	54	106
443.25	4159	72	95
285.02	3456	230	78
245.04	3238	270	73
324.21	2919	191	66
308.13	2842	207	64
415.23	2607	100	59
371.18	2584	144	59
323.13	2225	192	50
177.05	2212	338	50

Level: 3, プリカーサーm/z: 242.98097

Splash: splash10-0a4i-0930000000-a05a23ef89ba989f6681

m/z	Int.	NL	Rel.Int.
108.98	4952	134	1000
210.98	987	32	199
215.18	851	28	171
228.06	349	15	70
127.02	322	116	65
187.10	310	56	62

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Isoflavan]-A(1OH)-B(1OH)	Isoflavan	Equol
[Dihydrochalcone]-A(2OH)-B(none)	Dihydrochalcone	2',4'-Dihydroxydihydrochalcone
[Flavan]-A(1OH)-B(1OH)	Flavan	7,4'-Dihydroxyflavan
[Flavan]-A(2OH)-B(none)	Flavan	5,7-Dihydroxyflavan
[2-Phenylbenzofuran]-A(1OH)-B(2OH)	2-Phenylbenzofuran	6,2',4'-Trihydroxy-2-phenylbenzofuran

Level: 3, プリカーサーm/z: 353.31219

Splash: splash10-004i-0019000000-a318b6052ea092e60102

m/z	Int.	NL	Rel.Int.
325.21	2479	28	1000
335.13	985	18	397
293.26	944	60	380
321.15	644	32	259
338.22	217	15	87
322.24	180	31	72

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.217	[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Isoflavone	Gancaonin G
0.217	[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Isoflavone	5-O-Methyllupiwighteone
0.217	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe)	Isoflavone	Gancaonin A
0.217	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe)	Isoflavone	Gancanin M
0.143	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Xanthohumol C
0.143	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Citrunobin
0.143	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	2'-Hydroxychalcone	Pongachalcone II
0.133	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavanone	5-Hydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
0.125	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavone	Cycloartocarpesin
0.125	[Flavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Yinyanghuo E
0.118	[Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Semilicoisoflavone B
0.118	[Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Licoisoflavone B
0.118	[Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Sophoraisoflavone A
0.118	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	5,3',4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavone
0.118	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Parvisoflavone A
0.118	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Parvisoflavone B
0.111	[2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Ovalichalcone
0.111	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe)	2'-Hydroxychalcone	4'-O-Methylbavachalcone
0.105	[Flavanone]-A(2OMe, 1(C-Prenyl))-B(none)	Flavanone	Candidone
0.087	[Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavonol	3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone
0.087	[Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavonol	Citrusinol
0.083	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Pterocarpan	Edulenanol
0.077	[Flavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Flavone	Artonin U
0.000	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(5,5-Dimethyl-4-hydroxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none)	2'-Hydroxychalcone	Tephrosone
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(4,5-Epoxy-6,6-dimethyl-4,5-dihydropyrano)))-B(none)	2'-Hydroxychalcone	Epoxyobovatachalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	Demethylpraecanson B
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(2OMe, 1(C-Prenyl))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	Pongagallone A
0.000	[Flavanone]-A(1OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Flavanone	Ovaliflavanone C
0.000	[CCS-type derivative / [2',3]-Prenyloxidoflavone]-A(2OH)-B(1OH)	CCS-type derivative / [2',3]-Prenyloxidoflavone	Cyclocommunol
0.000	[Flavonol (3-OMe)]-A(2OMe, 1([2,3:@@]-Furano))-B(none)	Flavonol	3,5,6-Trimethoxyfurano[2,3:7,8]flavone
0.000	[Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(none)	Flavan 4-ol	Methylhildgardtol A
0.000	[Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavan 4-ol	Methylhildgardtol B
0.000	[Flavan 4-ol (4-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	Flavan 4-ol	Xuulanin
0.000	[Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))	Isoflavone	Crotarin
0.000	[Isoflavone]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(2OH)	Isoflavone	Lupinisoflavone A
0.000	[Isoflavan]-A(1([@@]-Methylenedioxy))-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavan	Leiocin
0.000	[isoflavene]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	isoflavene	Neorauflavene
0.000	[Pterocarpan]-A(1OH, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Pterocarpan	Edunol
0.000	[Pterocarpan]-A(1([2,3:@@]-(6,6-Dimethyldihydropyrano)))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neorautane
0.000	[Coumestan]-A(1OH, 1(3-Methyl-2,3-epoxybutyl))-B(1OH)	Coumestan	Psoralidin oxide
0.000	[Coumestan]-A(1OH)-B(1([2,3:@@]-(5-(Hydroxyisopropanyl)dihydrofurano)))	Coumestan	Bavacoumestan B
0.000	[Coumestan]-A(1OH)-B(1([2,3:@@]-(6,6-Dimethyl-5-hydroxydihydropyrano)))	Coumestan	Bavacoumestan A
0.000	[Rotenone]-A(1([2,3:@@]-Furano))-B(2OMe)	Rotenone	Elliptone
0.000	[Rotenone]-A(1([2,3:@@]-Furano))-B(2OMe)	Rotenone	Erosone
0.000	[12a-Hydroxyrotenone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	12a-Hydroxyrotenone	12a-Hydroxydolineone
0.000	[Coumaranochromon]-A(2OH)-B(1OH, 1(C-Prenyl))	Coumaranochromon	Lupinalbin D
0.000	[Coumaranochromon]-A(2OH, 1(C-Prenyl))-B(1OH)	Coumaranochromon	Lupinalbin B