ピーク情報

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Peak #5493 MN MID: SE199_S41_M90

m/z: 557.16576, RT: 56.79, 強度: 23842, 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）: 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: 0.158

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	0.735	4-O-(3''-O-methyl-beta-D-glucopyranosyl)-diphyllin	KNApSAcK: C00035950
C28H28O12	556.15808	0.735	Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate	FlavonoidViewer: FL63ACGS0025 KNApSAcK: C00013252 LipidMAPS: LMPK12020069
C29H24O8N4	556.15941	-1.670	Niceritrol	HMDB: HMDB0255580
C25H28O5N6S2	556.15626	4.000	Didmolamide B	KNApSAcK: C00044713

MSnスペクトル情報

Level: 2, プリカーサーm/z: 557.16571

Splash: splash10-000i-0094200000-d78d5b10427d42846219

m/z	Int.	NL	Rel.Int.
285.04	5091	272	1000
381.17	1360	176	267
353.16	881	204	173
243.12	701	314	137
272.17	629	285	123
443.27	578	114	113
415.22	500	142	98
461.22	422	96	82
325.19	420	232	82
352.23	368	205	72
245.12	350	312	68
433.29	327	124	64
177.08	295	380	57
308.20	287	249	56

Level: 3, プリカーサーm/z: 285.06378

Splash: splash10-0a4i-0900000000-4ef869d828d7b354b486

m/z	Int.	NL	Rel.Int.
108.95	1474	176	1000
186.95	291	98	197
253.05	124	32	84
168.90	109	116	73
224.88	89	60	60
96.94	82	188	55
151.02	78	134	53
127.06	75	158	50

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.158	[Flavonol]-A(1OMe)-B(1OH)	Flavonol	5-Deoxyrhamnocitrin
0.133	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OMe)	2'-Hydroxychalcone	Isoliquiritigenin 4,4'-dimethyl ether
0.100	[Flavonol]-A(1OH, 1OMe)-B(none)	Flavonol	Zuccagin
0.100	[Flavonol]-A(1OH, 1OMe)-B(none)	Flavonol	Galangin 5-methyl ether
0.100	[Flavonol]-A(1OH, 1OMe)-B(none)	Flavonol	Izalpinin
0.087	[Isoflavone]-A(2OH)-B(1OMe)	Isoflavone	Texasin
0.087	[Isoflavone]-A(2OH)-B(1OMe)	Isoflavone	Retusin(Dalbergia)
0.087	[Isoflavone]-A(2OH)-B(1OMe)	Isoflavone	Biochanin A
0.087	[Isoflavone]-A(2OH, 1OMe)-B(none)	Isoflavone	5,7-Dihydroxy-6-methoxyisoflavone
0.087	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	7,2'-Dihydroxy-6-methoxyisoflavone
0.087	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	Glycitein
0.087	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	Kakkatin
0.087	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	5-O-Methylgenistein
0.087	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	Prunetin
0.087	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	3'-Methoxydaidzein
0.087	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	Calycosin
0.087	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	Xenognosin B
0.087	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	Teralin
0.063	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(none)	2'-Hydroxychalcone	Flavokawin B
0.056	[Chalcone]-A(1OMe)-B(1OH, 1OMe)	Chalcone	Glypallichalcone
0.056	[Flavanone]-A(2OMe)-B(none)	Flavanone	7,8-Dimethoxyflavanone
0.056	[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: 381.27783

Splash: splash10-007c-0193000000-c27e55e66d6f5a377ad2

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Coumestan]-A(2OMe, 1(C-Prenyl))-B(1OH)	Coumestan	1-O-Methylglycyrol
[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	2'-Hydroxychalcone	Glabrachromene I
[beta-Hydroxy(or Oxodihydro)chalcone (beta-OMe)]-A(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	7-Methoxypraecansone B
[beta-Hydroxy(or Oxodihydro)chalcone (2-OMe)]-A(none)-B(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	beta-Hydroxy(or Oxodihydro)chalcone	Praecanson A
[Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Ovalichromene A
[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-Furano))	Flavanone	Abyssinoflavanone IV
[Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Isoglabrachromene
[Flavone]-A(1OMe, 1([2,3:@@]-(5,5-Dimethyl-4-hydroxy-4,5,3a,6a-tetrahydro-furo[2,3-b]furano)))-B(none)	Flavone	Multijuginol
[Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Muxiangrin II
[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OH)	Flavonol	4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone
[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavonol	Vellokaempferol 3,5-dimethyl ether
[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OMe)	Flavonol	Vellokaempferol 3,4'-dimethyl ether
[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Isoflavone	Predurmillone
[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	4-Hydroxy-3-phenylcoumarin	Robustic acid

m/z	Int.	NL	Rel.Int.
272.07	130	109	1000
243.00	115	138	890
285.27	82	96	634
137.09	70	244	540
363.28	48	18	371
349.23	34	32	265
321.49	27	60	212
256.95	25	124	195
215.24	23	166	178
335.27	23	46	176
231.09	21	150	164
353.22	21	28	159
244.97	20	136	153
259.34	19	122	142
331.40	17	50	131
239.29	17	142	128
138.68	15	243	114
211.16	13	170	103
201.28	12	180	91
267.24	11	114	84