ピーク情報

イチョウ　葉

pos

Peak #5505 MN MID: SE205_S01_M90

m/z: 653.20856, RT: 52.25, 強度: 1015330, ログ強度: 2.46, アダクト: [2M+H]+, 共有数（同様のピークを含むサンプル数）: 3

DB検索結果: (14 names) 6-O-p-Coumaroyl-D-glucose;Dihydroxypicrotoxinin;(-)-Dihydroxypicrotoxinin;hydroxymedioresinol;Melilotoside;1-O-p-Coumaroyl-beta-D-glucose;trans-p-Coumaric acid 4-glucoside;2-Oxoneomajucin;(+)-2-Oxoneo...

DBごとのヒット数: ALL 11 KG 4 KN 4 HM 3

FlavonoidSearch最大スコア MS2: -, MS3: 0.024

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
C15H18O8	326.10017	1.450	6-O-p-Coumaroyl-D-glucose	HMDB: HMDB0039169
C15H18O8	326.10017	1.450	Dihydroxypicrotoxinin	KNApSAcK: C00040948
C15H18O8	326.10017	1.450	hydroxymedioresinol	HMDB: HMDB0304581
C15H18O8	326.10017	1.450	trans-beta-D-Glucosyl-2-hydroxycinnamate	HMDB: HMDB0033581, HMDB0060077, HMDB0303353 KEGG: C05158, C05839 KNApSAcK: C00056006
C15H18O8	326.10017	1.450	p-Coumaroyl-D-glucose	HMDB: HMDB0036936, HMDB0302089 KEGG: C16827 KNApSAcK: C00032376
C15H18O8	326.10017	1.450	4-O-beta-D-Glucosyl-4-hydroxycinnamate	HMDB: HMDB0039509 KEGG: C04415, C06739 KNApSAcK: C00031477
C15H18O8	326.10017	1.450	Neoliacinic acid	KNApSAcK: C00011734
C15H18O8	326.10017	1.450	2-Oxoneomajucin	KNApSAcK: C00045175
C15H18O8	326.10017	1.450	Allamancin	KNApSAcK: C00010730
C15H18O8	326.10017	1.450	Bilobalide	HMDB: HMDB0036735, HMDB0242203 KEGG: C07605 KNApSAcK: C00011512
C15H18O8	326.10017	1.450	2-O-p-Coumaroyl-D-glucose	HMDB: HMDB0039167

MSnスペクトル情報

Level: 2, プリカーサーm/z: 653.20703

Splash: splash10-004i-0009000000-e0aa33e80599670d8ea1

m/z	Int.	NL	Rel.Int.
327.06	158476	326	1000
309.11	36129	344	227

Level: 3, プリカーサーm/z: 327.08441

Splash: splash10-0a4i-0019000000-bc519af8f038a790982d

m/z	Int.	NL	Rel.Int.
309.10	20998	18	1000
251.03	2247	76	106
283.10	1704	44	81

FlavonoidSearch結果

Symbolized Name	MSMS-Category	MSMS-Aglycone
[Dihydrochalcone]-A(3OH, 1(C-Prenyl))-B(none)	Dihydrochalcone	2',4',6'-Trihydroxy-3'-prenyldihydrochalcone
[Flavone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Flavone	Millettocalyxin A
[Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavone	Milletenin C
[Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavone	7,8-Dimethoxy-3',4'-methylenedioxyflavone
[Flavone]-A(1OH, 1OMe, 2Methyl)-B(1OMe)	Flavone	Eucalyptin
[Flavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Flavone	5,7-Dimethoxy-3',4'-methylenedioxyflavone
[Flavonol (3-OMe)]-A(1OMe)-B(1([@@]-Methylenedioxy))	Flavonol	Demethoxykanugin
[Flavonol (3-OMe)]-A(1OMe, 1([@@]-Methylenedioxy))-B(none)	Flavonol	3,5-Dimethoxy-6,7-methylenedioxyflavone
[Flavan 3-ol]-A(1OH)-B(1OH, 1(C-Prenyl))	Flavan 3-ol	Broussinol
[Isoflavone]-A(1OMe)-B(1OMe, 1([@@]-Methylenedioxy))	Isoflavone	Cuneatin methyl ether
[Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Fujikinetin methyl ether
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	3',4'-Dimethoxy-6,7-methylenedioxyisoflavone
[Isoflavone]-A(1([@@]-Methylenedioxy))-B(2OMe)	Isoflavone	Maximaisoflavone D
[Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	7,8-Dimethoxy-3',4'-methylenedioxyisoflavone
[Isoflavone]-A(2OMe)-B(1([@@]-Methylenedioxy))	Isoflavone	Derrustone
[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe)	Isoflavone	Tlatlancuayin
[Isoflavone]-A(1OMe, 1([@@]-Methylenedioxy))-B(1OMe)	Isoflavone	Irisolone methyl ether
[Isoflavan]-A(1([2,3:@@]-(4,4,5-Trimethyldihydrofurano)))-B(2OH)	Isoflavan	Cyclomillinol
[Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Coumestan	2-Hydroxyflemichapparin C
[Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Coumestan	Tephrosol
[Coumestan]-A(1OH, 1OMe)-B(1([@@]-Methylenedioxy))	Coumestan	Sophoracoumestan B
[6-Hydroxydehydrorotenone (6-OMe)]-A(2OH, 1Methyl)-B(none)	6-Hydroxydehydrorotenone	Boeravinone A
[4-phenylcoumarin]-A(2OMe)-B(1([@@]-Methylenedioxy))	4-phenylcoumarin	5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin

Level: 3, プリカーサーm/z: 309.10330

Splash: splash10-0079-0970000000-f059ba99413af8b21554

m/z	Int.	NL	Rel.Int.
235.12	741	74	1000
173.05	568	136	766
148.96	551	160	743
191.09	549	118	740
217.09	403	92	542
189.04	393	120	529
176.87	216	132	291
273.15	203	36	273
262.99	201	46	270
265.28	161	44	216
163.05	160	146	215
207.10	159	102	214
227.05	141	82	189
245.03	136	64	183
291.11	127	18	170
199.00	123	110	165
110.95	116	198	156
159.15	82	150	110
147.20	64	162	86
134.97	54	174	72

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.088	[Flavanone]-A(1OH, 1(C-Prenyl))-B(none)	Flavanone	Ovaliflavanone B
0.088	[2'-Hydroxychalcone]-A(2OH, 1(C-Prenyl))-B(none)	2'-Hydroxychalcone	Isocordoin
0.000	[2'-Hydroxychalcone]-A(2OH, 1(1,1-Dimethylallyl))-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxy-3'-(1,1-Dimethylallyl)chalcone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone (beta-OMe)]-A(1OMe, 1([2,3:@@]-Furano))-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	O-Methylpongamol
0.000	[Flavanone]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Flavanone	3',4'-Methylenedioxy-[2'',3'':7,8]furanoflavanone
0.000	[Flavone]-A(1OMe, 1([2,3:@@]-Furano))-B(1OH)	Flavone	3'-Hydroxy-6-methoxyfurano[2'',3'':7,8]flavone
0.000	[Flavonol (3-OMe)]-A(1OH, 1([2,3:@@]-Furano))-B(none)	Flavonol	3-Hydroxy-6-methoxyfurano[2'',3'':7,8]flavone
0.000	[Pterocarpan]-A(1([2,3:@@]-Furano))-B(1([@@]-Methylenedioxy))	Pterocarpan	Neodulin