ピーク情報

マンゴー生

pos

Peak #2038 MN MID: SE115_S071321_M90

m/z: 434.20182, RT: 40.00, 強度: 1842, ログ強度: -0.21, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 47

DB検索結果: (2 names) 8-[[(1R)-1-(3,4-Dimethoxyphenyl)-2-hydroxyethyl]amino]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione;L-Alanine, 3-(((3-(4-(aminoiminomethyl)phenyl)-4,5-dihydro-5-isoxazolyl)acetyl)amino)-N-(butoxyca...

DBごとのヒット数: ALL 2 HM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.080

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
C20H27O6N5	433.19613	-3.661	8-[[(1R)-1-(3,4-Dimethoxyphenyl)-2-hydroxyethyl]amino]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione	HMDB: HMDB0244405
C20H27O6N5	433.19613	-3.661	L-Alanine, 3-(((3-(4-(aminoiminomethyl)phenyl)-4,5-dihydro-5-isoxazolyl)acetyl)amino)-N-(butoxycarbonyl)-, (R)-	HMDB: HMDB0259936

MSnスペクトル情報

Level: 2, プリカーサーm/z: 434.19992

Splash: splash10-001i-0090000000-020890501c4278f44955

m/z	Int.	NL	Rel.Int.
284.95	1251	149	1000
294.96	598	139	478
258.95	256	175	204
162.91	153	271	122
254.95	146	179	116
416.47	115	18	91
145.01	76	289	60
276.97	69	157	55
216.79	65	217	52

Level: 3, プリカーサーm/z: 284.94931

Splash: splash10-001s-0390000000-6d54bda1c591c44e6c31

m/z	Int.	NL	Rel.Int.
249.06	52	36	1000
230.91	51	54	969
189.07	32	96	606
266.96	18	18	346
144.91	10	140	183
163.14	9	122	175
126.85	9	158	166
231.61	7	53	137
213.33	6	72	113
219.17	5	66	96

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.080	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	3'-Methoxydaidzein
0.080	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	Calycosin
0.080	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	Xenognosin B
0.080	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	Teralin
0.056	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(none)	2'-Hydroxychalcone	Flavokawin B
0.056	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OMe)	2'-Hydroxychalcone	Isoliquiritigenin 4,4'-dimethyl ether
0.050	[Chalcone]-A(1OMe)-B(1OH, 1OMe)	Chalcone	Glypallichalcone
0.050	[Flavanone]-A(2OMe)-B(none)	Flavanone	7,8-Dimethoxyflavanone
0.050	[Flavanone]-A(2OMe)-B(none)	Flavanone	Pinocembrin 5,7-dimethyl ether
0.043	[Flavonol]-A(1OMe)-B(1OH)	Flavonol	5-Deoxyrhamnocitrin
0.038	[Isoflavone]-A(2OH)-B(1OMe)	Isoflavone	Texasin
0.038	[Isoflavone]-A(2OH)-B(1OMe)	Isoflavone	Retusin(Dalbergia)
0.038	[Isoflavone]-A(2OH)-B(1OMe)	Isoflavone	Biochanin A
0.038	[Isoflavone]-A(2OH, 1OMe)-B(none)	Isoflavone	5,7-Dihydroxy-6-methoxyisoflavone
0.038	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	7,2'-Dihydroxy-6-methoxyisoflavone
0.038	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	Glycitein
0.038	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	Kakkatin
0.038	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	5-O-Methylgenistein
0.038	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	Prunetin
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	[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	[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: 294.96103

Splash: splash10-056r-0290000000-287adcfa353a1869f52b

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Auronol (2-OMe)]-A(1([2,3:@@]-Furano))-B(none)	Auronol	Castillene A
[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OMe, 1Oxo, 1([2,3:@@]-Furano))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	Pongamol
[Flavanone]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	Flavanone	6-Methoxy-[2'',3'':7,8]furanoflavanone
[Dihydroflavonol (3-OMe)]-A(1([2,3:@@]-Furano))-B(none)	Dihydroflavonol	3-Methoxy-[2'',3'':7,8]furanoflavanone
[2-substituted Isoflavone (2-Methyl)]-A(1OH, 1Acetyl)-B(none)	2-substituted Isoflavone	Glyzarin
[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1OMe)	Pterocarpan	9-O-Methylneodunol

m/z	Int.	NL	Rel.Int.
277.05	13	18	1000
258.48	8	36	610
199.05	5	96	355
217.28	5	78	355
240.72	2	54	165
115.01	2	180	121