ピーク情報

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Peak #5014 MN MID: SE199_S41_M90

m/z: 557.16617, RT: 53.41, 強度: 46546, ログ強度: 1.08, 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) Niceritrol;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-dihydroxy...

DBごとのヒット数: ALL 4 KN 3 HM 1

FlavonoidSearch最大スコア MS2: -, MS3: 0.091

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
C29H24O8N4	556.15941	-0.932	Niceritrol	HMDB: HMDB0255580
C28H28O12	556.15808	1.473	4-O-(3''-O-methyl-beta-D-glucopyranosyl)-diphyllin	KNApSAcK: C00035950
C28H28O12	556.15808	1.473	Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate	FlavonoidViewer: FL63ACGS0025 KNApSAcK: C00013252 LipidMAPS: LMPK12020069
C25H28O5N6S2	556.15626	4.739	Didmolamide B	KNApSAcK: C00044713

MSnスペクトル情報

Level: 2, プリカーサーm/z: 557.16528

Splash: splash10-000i-0095100000-4e2dd77ffe9ba782c3c9

m/z	Int.	NL	Rel.Int.
285.01	8560	272	1000
381.27	1796	176	209
353.31	1750	204	204
272.10	1347	285	157
243.17	1057	314	123
461.28	1017	96	118
361.23	971	196	113
433.25	745	124	87
443.26	660	114	77
380.37	547	177	63
244.99	485	312	56
352.13	464	205	54
325.12	450	232	52
324.16	432	233	50

Level: 3, プリカーサーm/z: 285.01233

Splash: splash10-0a4i-0900000000-81d53331b19b076141d5

m/z	Int.	NL	Rel.Int.
108.86	2515	176	1000
187.11	371	98	147
127.02	186	158	74

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.091	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(none)	2'-Hydroxychalcone	Flavokawin B
0.091	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OMe)	2'-Hydroxychalcone	Isoliquiritigenin 4,4'-dimethyl ether
0.077	[Flavanone]-A(2OMe)-B(none)	Flavanone	7,8-Dimethoxyflavanone
0.077	[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	[Chalcone]-A(1OMe)-B(1OH, 1OMe)	Chalcone	Glypallichalcone
0.000	[Isoflavone]-A(2OH)-B(1OMe)	Isoflavone	Texasin
0.000	[Isoflavone]-A(2OH)-B(1OMe)	Isoflavone	Retusin(Dalbergia)
0.000	[Isoflavone]-A(2OH)-B(1OMe)	Isoflavone	Biochanin A
0.000	[Isoflavone]-A(2OH, 1OMe)-B(none)	Isoflavone	5,7-Dihydroxy-6-methoxyisoflavone
0.000	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	7,2'-Dihydroxy-6-methoxyisoflavone
0.000	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	Glycitein
0.000	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	Kakkatin
0.000	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	5-O-Methylgenistein
0.000	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	Prunetin
0.000	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	3'-Methoxydaidzein
0.000	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	Calycosin
0.000	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	Xenognosin B
0.000	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	Teralin
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	[Flavonol]-A(1OH, 1OMe)-B(none)	Flavonol	Zuccagin
0.000	[Flavonol]-A(1OH, 1OMe)-B(none)	Flavonol	Galangin 5-methyl ether
0.000	[Flavonol]-A(1OH, 1OMe)-B(none)	Flavonol	Izalpinin
0.000	[Flavonol]-A(1OMe)-B(1OH)	Flavonol	5-Deoxyrhamnocitrin
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: 381.26666

Splash: splash10-00du-0292000000-8f4fe393b5f1c26a1a21

m/z	Int.	NL	Rel.Int.
272.16	463	109	1000
243.10	352	138	760
137.05	208	244	449
285.17	184	96	397
210.99	80	170	173
349.09	75	32	162
363.24	70	18	151
353.17	67	28	145
303.29	52	78	111
335.30	50	46	107
161.10	44	220	94
245.20	37	136	79
321.28	24	60	51

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.045	[Coumestan]-A(2OMe, 1(C-Prenyl))-B(1OH)	Coumestan	1-O-Methylglycyrol
0.000	[2'-Hydroxychalcone]-A(1OH, 1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1([@@]-Methylenedioxy))	2'-Hydroxychalcone	Glabrachromene I
0.000	[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
0.000	[beta-Hydroxy(or Oxodihydro)chalcone (2-OMe)]-A(none)-B(2OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))	beta-Hydroxy(or Oxodihydro)chalcone	Praecanson A
0.000	[Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Ovalichromene A
0.000	[Flavanone]-A(2OH)-B(1OH, 1(C-Prenyl), 1([2,3:@@]-Furano))	Flavanone	Abyssinoflavanone IV
0.000	[Flavanone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavanone	Isoglabrachromene
0.000	[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
0.000	[Flavone]-A(1OH, 1OMe, 1Methyl)-B(1OH, 1([2,3:@@]-(6,6-Dimethylpyrano)))	Flavone	Muxiangrin II
0.000	[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
0.000	[Flavonol (3-OMe)]-A(1OMe, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OH)	Flavonol	Vellokaempferol 3,5-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-(5-Isopropenyldihydrofurano)))-B(1OMe)	Flavonol	Vellokaempferol 3,4'-dimethyl ether
0.000	[Isoflavone]-A(1OH, 1OMe, 1(C-Prenyl))-B(1([@@]-Methylenedioxy))	Isoflavone	Predurmillone
0.000	[4-Hydroxy-3-phenylcoumarin]-A(1OMe, 1([2,3:@@]-(6,6-Dimethylpyrano)))-B(1OMe)	4-Hydroxy-3-phenylcoumarin	Robustic acid