ピーク情報

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Peak #5106 MN MID: SE199_S41_M90

m/z: 557.16582, RT: 54.03, 強度: 1287840, ログ強度: 2.52, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 2

DB検索結果: (7 names) 4-O-(3''-O-methyl-beta-D-glucopyranosyl)-diphyllin;4-O-(3-O-methyl-beta-D-glucopyranosyl)-diphyllin;Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate;(2R,3R)-3-(Benzoyloxy)-2-(3,4-dihydroxyphenyl)-3,4...

DBごとのヒット数: ALL 4 KN 3 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.105

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
C28H28O12	556.15808	0.838	4-O-(3''-O-methyl-beta-D-glucopyranosyl)-diphyllin	KNApSAcK: C00035950
C28H28O12	556.15808	0.838	Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate	FlavonoidViewer: FL63ACGS0025 KNApSAcK: C00013252 LipidMAPS: LMPK12020069
C29H24O8N4	556.15941	-1.567	Niceritrol	HMDB: HMDB0255580
C25H28O5N6S2	556.15626	4.104	Didmolamide B	KNApSAcK: C00044713

MSnスペクトル情報

Level: 2, プリカーサーm/z: 557.16492

Splash: splash10-001i-0094200000-6a39fde1ea454e16af6f

m/z	Int.	NL	Rel.Int.
284.99	87167	272	1000
286.13	25197	271	289
381.20	18342	176	210
353.17	16620	204	190
382.21	12018	175	137
243.15	11411	314	130
272.11	9985	285	114
354.15	8230	203	94
325.11	8162	232	93
273.18	7333	284	84
461.13	6480	96	74
462.22	6142	95	70
433.13	6081	124	69
444.16	5942	113	68
443.15	5889	114	67
434.25	5613	123	64
244.10	5394	313	61
324.17	5266	233	60
415.20	4684	142	53
187.00	4622	370	53

Level: 3, プリカーサーm/z: 285.04962

Splash: splash10-0a4i-0900000000-28275a0eaca34978746c

m/z	Int.	NL	Rel.Int.
108.94	22883	176	1000
187.04	6000	98	262
168.94	1600	116	69
126.96	1588	158	69
96.77	1540	188	67
225.12	1328	60	58
253.18	1180	32	51

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.105	[Flavonol]-A(1OH, 1OMe)-B(none)	Flavonol	Zuccagin
0.105	[Flavonol]-A(1OH, 1OMe)-B(none)	Flavonol	Galangin 5-methyl ether
0.105	[Flavonol]-A(1OH, 1OMe)-B(none)	Flavonol	Izalpinin
0.105	[Flavonol]-A(1OMe)-B(1OH)	Flavonol	5-Deoxyrhamnocitrin
0.091	[Isoflavone]-A(2OH)-B(1OMe)	Isoflavone	Texasin
0.091	[Isoflavone]-A(2OH)-B(1OMe)	Isoflavone	Retusin(Dalbergia)
0.091	[Isoflavone]-A(2OH)-B(1OMe)	Isoflavone	Biochanin A
0.091	[Isoflavone]-A(2OH, 1OMe)-B(none)	Isoflavone	5,7-Dihydroxy-6-methoxyisoflavone
0.091	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	7,2'-Dihydroxy-6-methoxyisoflavone
0.091	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	Glycitein
0.091	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	Kakkatin
0.091	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	5-O-Methylgenistein
0.091	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	Prunetin
0.091	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	3'-Methoxydaidzein
0.091	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	Calycosin
0.091	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	Xenognosin B
0.091	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	Teralin
0.067	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(none)	2'-Hydroxychalcone	Flavokawin B
0.067	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OMe)	2'-Hydroxychalcone	Isoliquiritigenin 4,4'-dimethyl ether
0.059	[Chalcone]-A(1OMe)-B(1OH, 1OMe)	Chalcone	Glypallichalcone
0.059	[Flavanone]-A(2OMe)-B(none)	Flavanone	7,8-Dimethoxyflavanone
0.059	[Flavanone]-A(2OMe)-B(none)	Flavanone	Pinocembrin 5,7-dimethyl ether
0.000	[Flavone]-A(1OH)-B(1OH, 1OMe)	Flavone	Geraldone
0.000	[Flavone]-A(1OH)-B(1OH, 1OMe)	Flavone	Farnisin
0.000	[Flavone]-A(1OH, 1OMe)-B(1OH)	Flavone	7,2'-Dihydroxy-5-methoxyflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(1OH)	Flavone	Echioidinin
0.000	[Flavone]-A(2OH)-B(1OMe)	Flavone	Acacetin
0.000	[Flavone]-A(1OH, 1OMe)-B(1OH)	Flavone	Thevetiaflavone
0.000	[Flavone]-A(1OH, 1OMe)-B(1OH)	Flavone	Genkwanin
0.000	[Flavone]-A(2OH, 1OMe)-B(none)	Flavone	Baicalein 5-methyl ether
0.000	[Flavone]-A(2OH, 1OMe)-B(none)	Flavone	Oroxylin A
0.000	[Flavone]-A(2OH, 1OMe)-B(none)	Flavone	Negletein
0.000	[Flavone]-A(2OH, 1OMe)-B(none)	Flavone	5,8-Dihydroxy-7-methoxyflavone
0.000	[Flavone]-A(2OH, 1OMe)-B(none)	Flavone	Wogonin
0.000	[Coumestan]-A(1OH)-B(2OH)	Coumestan	7,10,12-Trihydroxycoumestan
0.000	[Coumestan]-A(2OH)-B(1OH)	Coumestan	Lucernol
0.000	[Coumestan]-A(2OH)-B(1OH)	Coumestan	Aureol
0.000	[Pterocarpan]-A(1OMe)-B(1OMe)	Pterocarpan	Baphinitone
0.000	[Aurone]-A(2OH, 1Methyl)-B(1OH)	Aurone	4,6,4'-Trihydroxy-7-methylaurone
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Methyl)-B(none)	2'-Hydroxychalcone	Aurentiacin A
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Methyl)-B(none)	2'-Hydroxychalcone	Triangularin
0.000	[2'-Hydroxychalcone]-A(2OH, 1OMe, 1Methyl)-B(none)	2'-Hydroxychalcone	Stercurensin
0.000	[Flavanone]-A(1OH, 1OMe, 1Methyl)-B(none)	Flavanone	Comptonin
0.000	[Flavanone]-A(1OH, 1OMe, 1Methyl)-B(none)	Flavanone	7-O-Methylstrobopinin
0.000	[Flavanone]-A(1OH, 1OMe, 1Methyl)-B(none)	Flavanone	5-Hydroxy-7-methoxy-8-C-methylflavanone
0.000	[Flavanone]-A(2OH, 2Methyl)-B(none)	Flavanone	5,7-Dihydroxy-6,8-dimethylflavanone
0.000	[Flavone]-A(2OH, 1Methyl)-B(1OH)	Flavone	6-Methylapigenin
0.000	[3-substituted Flavone (3-Methyl)]-A(2OH)-B(1OH)	3-substituted Flavone	3-C-Methylapigenin
0.000	[Flavone]-A(2OH)-B(1OH, 1Methyl)	Flavone	5,7,4'-Trihydroxy-3'-C-methylflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(none)	Flavonol	Galangin 3-methyl ether
0.000	[Flavonol]-A(2OH, 1Methyl)-B(none)	Flavonol	8-C-Methylgalangin
0.000	[CCS-type derivative / [3,2']-Epoxy-3-Dehydroxyanthocyanidin]-A(2OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxy-3-Dehydroxyanthocyanidin	Riccionidin A
0.000	[3-DehydroxyAnthocyanidin]-A(2OH, 1OMe)-B(1OH)	3-DehydroxyAnthocyanidin	Carajuron
0.000	[Pterocarpan]-A(1OH)-B(1([@@]-Methylenedioxy))	Pterocarpan	Maackiain
0.000	[Coumaranochromon]-A(2OH)-B(1OH)	Coumaranochromon	Lupinalbin A
0.000	[3-Phenylcoumarin]-A(1OH)-B(1OH, 1OMe)	3-Phenylcoumarin	7,2'-Dihydroxy-4'-methoxy-3-phenylcoumarin
0.000	[2-Phenylbenzofuran]-A(1([@@]-Methylenedioxy))-B(1OH, 1OMe)	2-Phenylbenzofuran	2'-Hydroxy-4'-methoxy-5,6-methylenedioxy-2-phenylbenzofuran
0.000	[4-phenylcoumarin]-A(1OH)-B(1OH, 1OMe)	4-phenylcoumarin	7,3'-Dihydroxy-4'-methoxy-4-phenylcoumarin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(1OH)	4-phenylcoumarin	Stevenin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(1OH)	4-phenylcoumarin	Melannin
0.000	[4-phenylcoumarin]-A(2OH)-B(1OMe)	4-phenylcoumarin	5,7-Dihydroxy-4'-methoxy-4-phenylcoumarin
0.000	[4-phenylcoumarin]-A(1OH, 1OMe)-B(1OH)	4-phenylcoumarin	5,4'-Dihydroxy-7-methoxy-4-phenylcoumarin
0.000	[CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin]-A(1OH)-B(2OH)	CCS-type derivative / [5,2']-Epoxy-4-phenylcoumarin	7,4',5'-Trihydroxy-5,2'-oxido-4-phenylcoumarin
0.000	[Dalbergiquinol]-A(3OMe)-B(none)	Dalbergiquinol	2,4,5-Trimethoxydalbergiquinol
0.000	[UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(2OMe)-B(none)	UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol	3,4-Dimethoxydalbergione
0.000	[UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol]-A(1OMe)-B(1OMe)	UBR-type derivative / [2,5]-Benzoquinonyl-type Dalbergiquinol	4,4'-Dimethoxydalbergione
0.000	[Neoflavene]-A(1OH, 2OMe)-B(none)	Neoflavene	Kuhlmannene

Level: 3, プリカーサーm/z: 286.05112

Splash: splash10-0a4i-0900000000-c9d0456959c2d462a7d3

m/z	Int.	NL	Rel.Int.
109.92	6119	176	1000
108.88	3510	177	573
187.99	1074	98	175
254.16	666	32	108
97.76	467	188	76
169.94	416	116	67
226.16	381	60	62
186.92	320	99	52