ピーク情報

＜茶類＞（発酵茶類）ウーロン茶浸出液

pos

Peak #2711 MN MID: SE119_S160421_M90

m/z: 434.20245, RT: 40.52, 強度: 30747, ログ強度: 1.01, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 52

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: 0.095

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	-2.219	8-[[(1R)-1-(3,4-Dimethoxyphenyl)-2-hydroxyethyl]amino]-7-(2-methoxyethyl)-1,3-dimethylpurine-2,6-dione	HMDB: HMDB0244405
C20H27O6N5	433.19613	-2.219	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: 434.20245

Splash: splash10-000b-0090100000-2a53b011128890011766

m/z	Int.	NL	Rel.Int.
295.05	12709	139	1000
285.01	12273	149	965
416.07	3838	18	302
258.96	3293	175	259
254.99	2611	179	205
162.80	2181	271	171
240.69	2109	194	165
294.40	1528	140	120
219.00	1390	215	109
302.10	1353	132	106
284.35	1241	150	97
398.03	1175	36	92
144.83	1171	289	92
230.99	1048	203	82
201.01	800	233	62
248.96	735	185	57
258.25	719	176	56
416.83	658	17	51

Level: 3, プリカーサーm/z: 294.87952

Splash: splash10-0bt9-1490000000-41c4eb507ac90c2beb1b

m/z	Int.	NL	Rel.Int.
258.78	751	36	1000
114.89	225	180	299
162.79	191	132	254
96.90	173	198	229
240.88	167	54	222
144.99	130	150	173
126.92	112	168	148
239.98	111	55	147
222.99	99	72	132
277.07	57	18	75

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

Level: 3, プリカーサーm/z: 285.00772

Splash: splash10-001i-0390000000-83783b37b12632db31ed

m/z	Int.	NL	Rel.Int.
231.05	544	54	1000
219.06	195	66	358
249.10	169	36	311
188.72	108	96	198
162.99	97	122	179
146.94	77	138	142
212.73	74	72	136
267.01	66	18	121
186.93	43	98	79
145.03	37	140	67
140.87	30	144	54
126.41	29	159	54

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.105	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(none)	2'-Hydroxychalcone	Flavokawin B
0.105	[2'-Hydroxychalcone]-A(1OH, 1OMe)-B(1OMe)	2'-Hydroxychalcone	Isoliquiritigenin 4,4'-dimethyl ether
0.095	[Flavanone]-A(2OMe)-B(none)	Flavanone	7,8-Dimethoxyflavanone
0.095	[Flavanone]-A(2OMe)-B(none)	Flavanone	Pinocembrin 5,7-dimethyl ether
0.074	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	3'-Methoxydaidzein
0.074	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	Calycosin
0.074	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	Xenognosin B
0.074	[Isoflavone]-A(1OH)-B(1OH, 1OMe)	Isoflavone	Teralin
0.045	[Chalcone]-A(1OMe)-B(1OH, 1OMe)	Chalcone	Glypallichalcone
0.040	[Flavonol]-A(1OMe)-B(1OH)	Flavonol	5-Deoxyrhamnocitrin
0.036	[Isoflavone]-A(2OH)-B(1OMe)	Isoflavone	Texasin
0.036	[Isoflavone]-A(2OH)-B(1OMe)	Isoflavone	Retusin(Dalbergia)
0.036	[Isoflavone]-A(2OH)-B(1OMe)	Isoflavone	Biochanin A
0.036	[Isoflavone]-A(2OH, 1OMe)-B(none)	Isoflavone	5,7-Dihydroxy-6-methoxyisoflavone
0.036	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	7,2'-Dihydroxy-6-methoxyisoflavone
0.036	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	Glycitein
0.036	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	Kakkatin
0.036	[Isoflavone]-A(1OH, 1OMe)-B(1OH)	Isoflavone	5-O-Methylgenistein
0.036	[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