ピーク情報

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Peak #4261 MN MID: SE199_S41_M90

m/z: 515.15527, RT: 48.87, 強度: 2104180, ログ強度: 2.73, 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: 0.261

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	0.903	2''-O-(2'''-Methylbutyryl)orientin	FlavonoidViewer: FL3FACCS0063 KNApSAcK: C00014105 LipidMAPS: LMPK12110531
C26H28O12	532.15808	0.903	Isoscutellarein 4'-methyl ether 8-(6''-n-butylglucuronide)	FlavonoidViewer: FL3FFAGS0017 KNApSAcK: C00013646 LipidMAPS: LMPK12111355
C26H28O12	532.15808	0.903		LipidMAPS: LMPR0103540019
C26H28O12	532.15808	0.903	Flavonol 3-O-D-xylosylglucoside	KEGG: C04068, C04193
C26H28O12	532.15808	0.903	Leptostachyol acetate	KNApSAcK: C00051246
C26H28O12	532.15808	0.903	Flavonol 3-O-D-xylosylglycoside	KEGG: C04069
C26H28O12	532.15808	0.903	Sinocrassoside B2	KNApSAcK: C00032133
C26H28O12	532.15808	0.903	Antibiotic MM 44787	KNApSAcK: C00017904
C26H28O12	532.15808	0.903	Styraxlignolide B	KNApSAcK: C00043931
C26H28O12	532.15808	0.903	Sesaminol glucoside	HMDB: HMDB0041209
C26H28O12	532.15808	0.903	5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside	FlavonoidViewer: FL3FA9GM0001 KNApSAcK: C00013728 LipidMAPS: LMPK12110144
C26H28O12	532.15808	0.903	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: 515.15417

Splash: splash10-0006-0096200000-c7c271e70eda83dfae5a

m/z	Int.	NL	Rel.Int.
243.03	389088	272	1000
353.18	135342	162	347
381.15	100519	134	258
272.19	92484	243	237
461.30	49541	54	127
325.24	44194	190	113
433.28	39877	82	102
443.17	38940	72	100
245.10	36445	270	93
415.27	28562	100	73
352.17	28160	163	72
285.18	25169	230	64
324.26	24661	191	63
323.13	23405	192	60
308.22	23231	207	59

Level: 3, プリカーサーm/z: 243.04221

Splash: splash10-0a4i-0920000000-729068fbcb656b03b474

m/z	Int.	NL	Rel.Int.
108.96	26621	134	1000
215.08	4909	28	184
210.98	3309	32	124
144.78	2196	98	82
126.94	1613	116	60

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: 353.12360

Splash: splash10-004u-0029000000-6701995e741894a15f14

m/z	Int.	NL	Rel.Int.
325.14	9241	28	1000
335.18	6078	18	657
293.17	5201	60	562
321.06	2018	32	218
322.42	1276	31	138
338.13	1222	15	132
307.33	654	46	70

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.261	[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Isoflavone	Gancaonin G
0.261	[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Isoflavone	5-O-Methyllupiwighteone
0.261	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe)	Isoflavone	Gancaonin A
0.261	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe)	Isoflavone	Gancanin M
0.188	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavone	Cycloartocarpesin
0.188	[Flavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Yinyanghuo E
0.176	[Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Semilicoisoflavone B
0.176	[Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Licoisoflavone B
0.176	[Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Sophoraisoflavone A
0.176	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	5,3',4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavone
0.176	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Parvisoflavone A
0.176	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Parvisoflavone B
0.133	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Xanthohumol C
0.133	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Citrunobin
0.133	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	2'-Hydroxychalcone	Pongachalcone II
0.130	[Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavonol	3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone
0.130	[Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavonol	Citrusinol
0.125	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavanone	5-Hydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
0.105	[2'-Hydroxychalcone]-A(1OH, 2OMe, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Ovalichalcone
0.105	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OMe)	2'-Hydroxychalcone	4'-O-Methylbavachalcone
0.100	[Flavanone]-A(2OMe, 1(C-Prenyl))-B(none)	Flavanone	Candidone
0.077	[Pterocarpan]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Pterocarpan	Edulenanol
0.071	[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