ピーク情報

イネ　葉　コシヒカリ

pos

Peak #4419 MN MID: SE199_S31_M90

m/z: 515.15518, RT: 48.44, 強度: 1555640, ログ強度: 2.64, 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: 0.273

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	0.740	2''-O-(2'''-Methylbutyryl)orientin	FlavonoidViewer: FL3FACCS0063 KNApSAcK: C00014105 LipidMAPS: LMPK12110531
C26H28O12	532.15808	0.740	Isoscutellarein 4'-methyl ether 8-(6''-n-butylglucuronide)	FlavonoidViewer: FL3FFAGS0017 KNApSAcK: C00013646 LipidMAPS: LMPK12111355
C26H28O12	532.15808	0.740		LipidMAPS: LMPR0103540019
C26H28O12	532.15808	0.740	Flavonol 3-O-D-xylosylglucoside	KEGG: C04068, C04193
C26H28O12	532.15808	0.740	Leptostachyol acetate	KNApSAcK: C00051246
C26H28O12	532.15808	0.740	Flavonol 3-O-D-xylosylglycoside	KEGG: C04069
C26H28O12	532.15808	0.740	Sinocrassoside B2	KNApSAcK: C00032133
C26H28O12	532.15808	0.740	Antibiotic MM 44787	KNApSAcK: C00017904
C26H28O12	532.15808	0.740	Styraxlignolide B	KNApSAcK: C00043931
C26H28O12	532.15808	0.740	Sesaminol glucoside	HMDB: HMDB0041209
C26H28O12	532.15808	0.740	5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside	FlavonoidViewer: FL3FA9GM0001 KNApSAcK: C00013728 LipidMAPS: LMPK12110144
C26H28O12	532.15808	0.740	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: 515.15436

Splash: splash10-0006-0096200000-294af7e1ed9a498b2f62

m/z	Int.	NL	Rel.Int.
243.00	333764	272	1000
353.21	103650	162	310
381.26	85110	134	255
272.14	57876	243	173
443.26	38240	72	114
325.17	34286	190	102
461.18	32523	54	97
433.30	30626	82	91
352.17	28662	163	85
415.16	28437	100	85
324.18	28028	191	83
285.15	27114	230	81
380.46	26423	135	79
244.99	24891	270	74
371.13	20947	144	62
308.14	20354	207	60
273.18	19893	242	59
177.08	17603	338	52

Level: 3, プリカーサーm/z: 242.99455

Splash: splash10-0a4i-0930000000-f7d010db2976527b7afb

m/z	Int.	NL	Rel.Int.
108.87	22841	134	1000
215.02	5468	28	239
210.99	2656	32	116

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: 353.13312

Splash: splash10-004i-0019000000-cdd84cdaa5a7bb77ac65

m/z	Int.	NL	Rel.Int.
325.21	11257	28	1000
335.16	5190	18	461
293.22	3028	60	268
321.25	948	32	84
322.18	842	31	74
297.04	594	56	52

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.273	[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Isoflavone	Gancaonin G
0.273	[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1OH)	Isoflavone	5-O-Methyllupiwighteone
0.273	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe)	Isoflavone	Gancaonin A
0.273	[Isoflavone]-A(2OH, 1(C-Prenyl))-B(1OMe)	Isoflavone	Gancanin M
0.200	[Flavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Flavone	Cycloartocarpesin
0.200	[Flavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Yinyanghuo E
0.188	[Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Semilicoisoflavone B
0.188	[Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Licoisoflavone B
0.188	[Isoflavone]-A(2OH)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Isoflavone	Sophoraisoflavone A
0.188	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	5,3',4'-Trihydroxy-6'',6''-dimethylpyrano[2'',3'':7,6]isoflavone
0.188	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Parvisoflavone A
0.188	[Isoflavone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(2OH)	Isoflavone	Parvisoflavone B
0.136	[Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavonol	3,5,4'-Trihydroxy-6'',6''-dimethylpyrano[2,3:7,6]flavone
0.136	[Flavonol]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavonol	Citrusinol
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
0.083	[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
0.067	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Xanthohumol C
0.067	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	2'-Hydroxychalcone	Citrunobin
0.067	[2'-Hydroxychalcone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH, 1OMe)	2'-Hydroxychalcone	Pongachalcone II
0.063	[Flavanone]-A(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	Flavanone	5-Hydroxy-4'-methoxy-6'',6''-dimethylpyrano[2'',3'':7,8]flavanone
0.000	[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