ピーク情報

パセリ　根

pos

Peak #2755 MN MID: SE61_S24_M90

m/z: 348.12870, RT: 30.56, 強度: 4104, ログ強度: 0.12, 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: (2 names) Dide-O-methylsimmondsin;Kinetin riboside

DBごとのヒット数: ALL 2 HM 2

FlavonoidSearch最大スコア MS2: -, MS3: 0.125

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
C14H21O9N	347.12163	-0.590	Dide-O-methylsimmondsin	HMDB: HMDB0041207
C15H17O5N5	347.12297	-4.443	Kinetin riboside	HMDB: HMDB0253801

MSnスペクトル情報

Level: 2, プリカーサーm/z: 348.12854

Splash: splash10-0159-0904000000-4f7623b3ca31a80537f0

m/z	Int.	NL	Rel.Int.
169.01	1568	179	1000
330.87	641	17	408
180.09	186	168	118
330.15	136	18	86
313.08	90	35	57

Level: 3, プリカーサーm/z: 168.94748

Splash: splash10-004i-1900000000-c02708278157f175f029

m/z	Int.	NL	Rel.Int.
125.05	776	44	1000
93.01	106	76	137
150.97	46	18	59

Level: 3, プリカーサーm/z: 330.78693

Splash: splash10-03di-0396000000-81082bd8f01b38bed560

m/z	Int.	NL	Rel.Int.
312.03	17	19	1000
314.97	12	16	681
262.37	12	68	667
169.12	9	162	506
209.49	7	121	407
313.28	7	18	388
284.09	6	47	360
218.19	5	113	313
284.98	5	46	287
154.80	4	176	253
121.65	4	209	252
530.39	3	-200	172
258.04	3	73	153
200.39	3	130	145
298.11	2	33	144
211.22	2	120	135
216.37	2	114	128
119.19	2	212	127
292.11	2	39	120
180.70	2	150	119

FlavonoidSearch結果

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.143	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	Podospicatin
0.143	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	Iristectorigenin B
0.143	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	Iristectorigenin A
0.143	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	5,7,4'-Trihydroxy-8,3'-dimethoxyisoflavone
0.143	[Isoflavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Isoflavone	5,7,3'-Trihydroxy-8,4'-dimethoxyisoflavone
0.115	[Isoflavanone]-A(1OH)-B(3OMe)	Isoflavanone	3'-O-Methylviolanone
0.115	[Isoflavanone]-A(1OMe)-B(1OH, 2OMe)	Isoflavanone	3'-Methoxyisosativanone
0.111	[Isoflavone]-A(1OH, 2OMe)-B(2OH)	Isoflavone	6-Methoxyorobol 7-methyl ether
0.111	[Isoflavone]-A(2OH)-B(1OH, 2OMe)	Isoflavone	2'-Hydroxy-5'-methoxybiochanin A
0.094	[Anthocyanidin]-A(1OH, 1OMe)-B(2OH, 1OMe)	Anthocyanidin	Europinidin
0.094	[Anthocyanidin]-A(2OH)-B(1OH, 2OMe)	Anthocyanidin	Malvidin
0.091	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Betuletol
0.091	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	3,5,6-Trihydroxy-7,4'-dimethoxyflavone
0.091	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Herbacetin 7,4'-dimethyl ether
0.091	[Flavonol]-A(2OH, 1OMe)-B(1OMe)	Flavonol	Prudomestin
0.091	[Flavonol]-A(1OH, 2OMe)-B(1OH)	Flavonol	6-Hydroxykaempferol 5,6-dimethyl ether
0.091	[Flavonol]-A(1OH, 2OMe)-B(1OH)	Flavonol	Herbacetin 7,8-dimethyl ether
0.083	[Dihydroflavonol (3-OMe)]-A(1OH, 1OMe)-B(1OMe)	Dihydroflavonol	7-Hydroxy-3,5,4'-trimethoxyflavanone
0.059	[Flavonol]-A(2OH, 2OMe)-B(none)	Flavonol	3,5,7-Trihydroxy-6,8-dimethoxyflavone
0.059	[Flavonol]-A(1OH)-B(1OH, 2OMe)	Flavonol	Laurentinol
0.059	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	3,5,2'-Trihydroxy-7,5'-dimethoxyflavone
0.059	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Quercetin 5,3'-dimethyl ether
0.059	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Quercetin 5,4'-dimethyl ether
0.059	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Rhamnazin
0.059	[Flavonol]-A(1OH, 1OMe)-B(1OH, 1OMe)	Flavonol	Ombuin
0.059	[Flavonol]-A(2OH)-B(2OMe)	Flavonol	Morelosin
0.059	[Flavonol]-A(2OH)-B(2OMe)	Flavonol	Dillenetin
0.042	[Flavone]-A(2OH)-B(1OH, 2OMe)	Flavone	6,7,4'-Trihydroxy-3',5'-dimethoxyflavone
0.042	[Flavone]-A(1OH, 1OMe)-B(2OH, 1OMe)	Flavone	5,4',5'-Trihydroxy-6,2'-dimethoxyflavone
0.042	[Flavone]-A(2OH)-B(1OH, 2OMe)	Flavone	Apometzgerin
0.042	[Flavone]-A(2OH)-B(1OH, 2OMe)	Flavone	Tricin
0.042	[Flavone]-A(2OMe)-B(3OH)	Flavone	Isoetin 5,7-dimethyl ether
0.042	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	5,2',6'-Trihydroxy-6,7-dimethoxyflavone
0.042	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	6-Hydroxyluteolin 5,6-dimethyl ether
0.042	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Jaceosidin
0.042	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Desmethoxycentaureidin
0.042	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	Cirsiliol
0.042	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	6-Hydroxyluteolin 7,3'-dimethyl ether
0.042	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Nuchensin
0.042	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Tamaridone
0.042	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	5,2',3'-Trihydroxy-7,8-dimethoxyflavone
0.042	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	Rehderianin I
0.042	[Flavone]-A(1OH, 2OMe)-B(2OH)	Flavone	Viscidulin II
0.042	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	5,7,2'-Trihydroxy-8,6'-dimethoxyflavone
0.042	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Hypolaetin 7,3'-dimethyl ether
0.042	[Flavone]-A(2OH, 1OMe)-B(1OH, 1OMe)	Flavone	Hypolaetin 8,3'-dimethyl ether
0.042	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	5,8,2'-Trihydroxy-6,7-dimethoxyflavone
0.042	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	5,7,2'-trihydroxy-6,8-dimethoxyflavone
0.042	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	Isothymusin
0.042	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	Desmethoxysudachitin
0.042	[Flavone]-A(3OH, 1OMe)-B(1OMe)	Flavone	5,6,8-Trihydroxy-7,4'-dimethoxyflavone
0.042	[Flavone]-A(2OH, 2OMe)-B(1OH)	Flavone	Thymusin
0.042	[Flavone]-A(3OH, 1OMe)-B(1OMe)	Flavone	5,6,7-Trihydroxy-8,4'-dimethoxyflavone
0.040	[Pterocarpan]-A(1OH)-B(3OMe)	Pterocarpan	9-O-Methylphilenopteran
0.038	[Dihydroflavonol]-A(2OMe)-B(1OMe)	Dihydroflavonol	3-Hydroxy-5,7,4'-trimethoxyflavanone
0.036	[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OH)	2'-Hydroxychalcone	4,6'-Dihydroxy-2',3',4'-trimethoxychalcone
0.036	[2'-Hydroxychalcone]-A(1OH, 3OMe)-B(1OH)	2'-Hydroxychalcone	4,2'-Dihydroxy-3',4',6'-trimethoxychalcone
0.036	[2'-Hydroxychalcone]-A(2OH, 2OMe)-B(1OMe)	2'-Hydroxychalcone	2',4'-Dihydroxy-2,3',6'-trimethoxychalcone
0.036	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OMe)	2'-Hydroxychalcone	Okanin 3,4,3'-trimethyl ether
0.036	[2'-Hydroxychalcone]-A(2OH, 1OMe)-B(2OMe)	2'-Hydroxychalcone	Cerasin
0.036	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH, 1OMe)	2'-Hydroxychalcone	4,2'-Dihydroxy-3,4',6'-trimethoxychalcone
0.036	[2'-Hydroxychalcone]-A(1OH, 2OMe)-B(1OH, 1OMe)	2'-Hydroxychalcone	3,2'-Dihydroxy-4,4',6'-trimethoxychalcone
0.036	[2'-Hydroxychalcone]-A(2OH, 3OMe)-B(none)	2'-Hydroxychalcone	Pedicin
0.033	[Chalcone]-A(1OH, 4OMe)-B(none)	Chalcone	Isodidymocarpin
0.033	[Flavanone]-A(1OH, 3OMe)-B(none)	Flavanone	Isopedicin
0.033	[Flavanone]-A(1OH, 3OMe)-B(none)	Flavanone	5-Hydroxy-6,7,8-trimethoxyflavanone
0.033	[Flavanone]-A(1OH, 3OMe)-B(none)	Flavanone	Kwangsienin A
0.033	[Flavanone]-A(2OMe)-B(1OH, 1OMe)	Flavanone	4'-Hydroxy-5,7,2'-trimethoxyflavanone
0.033	[Flavanone]-A(3OMe)-B(1OH)	Flavanone	4'-Hydroxy-5,6,7-trimethoxyflavanone
0.033	[Flavanone]-A(1OH, 2OMe)-B(1OMe)	Flavanone	5-Hydroxy-6,7,4'-trimethoxyflavanone
0.033	[Flavanone]-A(1OH, 2OMe)-B(1OMe)	Flavanone	7-Hydroxy-5,8,2'-trimethoxyflavanone
0.033	[Flavanone]-A(1OH, 2OMe)-B(1OMe)	Flavanone	5-Hydroxy-7,8,4'-trimethoxyflavanone
0.033	[Flavanone]-A(1OH, 1OMe)-B(2OMe)	Flavanone	5-Hydroxy-7,2',3'-trimethoxyflavanone
0.033	[Flavanone]-A(1OH, 1OMe)-B(2OMe)	Flavanone	Eriodictyol 7,3',4'-trimethyl ether
0.033	[Flavanone]-A(1OH, 1OMe)-B(2OMe)	Flavanone	Cerasinone
0.000	[Pterocarpan]-A(1OH, 2OMe)-B(1OMe)	Pterocarpan	4-Hydroxy-2,3,9-trimethoxypterocarpan
0.000	[Pterocarpan]-A(1OH, 1OMe)-B(2OMe)	Pterocarpan	Melilotocarpan C
0.000	[Pterocarpan]-A(2OMe)-B(1OH, 1OMe)	Pterocarpan	Odoricarpan
0.000	[Dihydrochalcone beta-ol]-A(2OMe, 1([@@]-Methylenedioxy))-B(none)	Dihydrochalcone beta-ol	beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone
0.000	[Flavanone]-A(2OH, 2Methyl)-B(1OH, 1OMe)	Flavanone	5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone
0.000	[Flavanone]-A(2OH, 2Methyl)-B(1OH, 1OMe)	Flavanone	2'-Hydroxymatteucinol
0.000	[UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone]-A(1OH, 1OMe)-B(1OMe)	UBR-type derivative / [2',5']-Benzoquinonyl-type Flavanone	Remerin
0.000	[Dihydroflavonol]-A(2OH)-B(1OH)-C(1(O-Acetyl))	Dihydroflavonol	Aromadendrin 3-O-acetate
0.000	[CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH, 1OMe)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone	5-Methoxypeltogynone
0.000	[CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone]-A(1OH, 1OMe)-B(2OH)	CCS-type derivative / [3,2']-Epoxymethanodihydroflavanone	5-Methoxymopanone
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH)	Flavonol	7,3',4'-Trihydroxy-3,8-dimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe)	Flavonol	7,8,4'-Trihydroxy-3,3'-dimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe)	Flavonol	Quercetin 3,3'-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH)-B(1OH, 1OMe)	Flavonol	Quercetin 3,4'-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH)	Flavonol	Caryatin
0.000	[Flavonol (3-OMe)]-A(1OH, 1OMe)-B(2OH)	Flavonol	Quercetin 3,7-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH)	Flavonol	6-C-Methylquercetin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1Methyl)-B(2OH)	Flavonol	8-C-Methylquercetin 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(3OH)-B(1OMe)	Flavonol	6-Hydroxykaempferol 3,4'-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH)	Flavonol	6-Methoxykaempferol 3-methyl ether
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH)	Flavonol	6-Hydroxykaempferol 3,7-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(3OH)-B(1OMe)	Flavonol	5,7,8-Trihydroxy-3,4'-dimethoxyflavone
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH)	Flavonol	3,7-Dimethylherbacetin
0.000	[Flavonol (3-OMe)]-A(2OH, 1OMe)-B(1OH)	Flavonol	Herbacetin 3,8-dimethyl ether
0.000	[Flavonol (3-OMe)]-A(3OH, 1OMe)-B(none)	Flavonol	5,7,8-Trihydroxy-3,6-dimethoxyflavone
0.000	[Flavan 3-ol]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavan 3-ol	3',4'-Methylenedioxy catechin 5,7-dimethyl ether
0.000	[CCS-type derivative / [2,3,4:5,4a,4]-(6-oxodihydropyrano)-Flavan 3-ol]-A(1OH)-B(2OH)	CCS-type derivative / [2,3,4:5,4a,4]-(6-oxodihydropyrano)-Flavan 3-ol	Dryopterin
0.000	[CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan]-A(2OH)-B(2OH)	CCS-type derivative / [3,2']-Epoxydimethylmethanoflavan	8-Hydroxy-5,5-dimethylpeltogynan
0.000	[Flavan 4-ol (4-OMe)]-A(2OH, 2Methyl)-B(1OMe)	Flavan 4-ol	5,7-Dihydroxy-4,4'-dimethoxy-6,8-dimethylflavan
0.000	[Pterocarpan]-A(2OH, 1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan	Trifolian
0.000	[Pterocarpan-6a-ol]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Hildecarpin
0.000	[Pterocarpan-6a-ol]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Pterocarpan-6a-ol	Tephrocarpin
0.000	[12a-Hydroxyrotenone]-A(1OH, 1OMe)-B(1OH)	12a-Hydroxyrotenone	4,11,12a-Trihydroxy-9-methoxyrotenone
0.000	[4-phenylcoumarin]-A(1OH, 2OMe)-B(2OH)	4-phenylcoumarin	8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin