ピーク情報

＜コーヒー・ココア類＞コーヒー浸出液

pos

Peak #1867 MN MID: SE118_S160451_M90

m/z: 259.09235, RT: 19.47, 強度: 2205, ログ強度: -0.14, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 58

DB検索結果: (9 names) Ribothymidine;2'-O-Methyluridine;3-Methyluridine;1-Methylpseudouridine;NSC 240023;U 50228;5-Hydroxymethyl-2'-deoxyuridine;Imidazoleacetic acid riboside;L-gamma-Glutamyl-(3R)-L-beta-ethynylserine

DBごとのヒット数: ALL 7 KG 3 KN 1 HM 3

FlavonoidSearch最大スコア MS2: 0.167, MS3: 0.300

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
C10H14O6N2	258.08519	-0.451	Spongothymidine	HMDB: HMDB0000884, HMDB0248554 KEGG: C16744
C10H14O6N2	258.08519	-0.451	2'-O-Methyluridine	HMDB: HMDB0240328
C10H14O6N2	258.08519	-0.451	3-Methyluridine	HMDB: HMDB0004813
C10H14O6N2	258.08519	-0.451	5-Hydroxymethyl-2'-deoxyuridine	HMDB: HMDB0246808
C10H14O6N2	258.08519	-0.451	1-Methylpseudouridine	KNApSAcK: C00018102
C10H14O6N2	258.08519	-0.451	(1-Ribosylimidazole)-4-acetate	HMDB: HMDB0002331 KEGG: C05131
C10H14O6N2	258.08519	-0.451	L-gamma-Glutamyl-(3R)-L-beta-ethynylserine	KEGG: C22140

MSnスペクトル情報

Level: 2, プリカーサーm/z: 259.09235

Splash: splash10-0006-0090000000-5573a18de48b2c8ae844

m/z	Int.	NL	Rel.Int.
241.05	28286	18	1000
213.11	1549	46	54

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.167	[Flavan 3-ol]-A(2OH)-B(none)	Flavan 3-ol	Distenin
0.167	[Flavan 3-ol]-A(1OH)-B(1OH)	Flavan 3-ol	Guibourtinidol
0.000	[Isoflavan]-A(1OH)-B(2OH)	Isoflavan	Demethylvestitol
0.000	[Dihydrochalcone]-A(2OH)-B(1OH)	Dihydrochalcone	Davidigenin
0.000	[Dihydrochalcone]-A(3OH)-B(none)	Dihydrochalcone	2',4',6'-Trihydroxydihydrochalcone
0.000	[Dihydrochalcone]-A(1OH)-B(2OH)	Dihydrochalcone	2,4,4'-Trihydroxydihydrochalcone
0.000	[2-Benzyldihydrobenzofuran]-A(1OH)-B(1OH)	2-Benzyldihydrobenzofuran	3,6,4'-Trihydroxy-2-benzyldihydrobenzofuran
0.000	[Flavan]-A(2OH)-B(1OH)	Flavan	Apigeniflavan

Level: 3, プリカーサーm/z: 241.06398

Splash: splash10-004i-2940000000-7e907829c9f8a4d1b518

m/z	Int.	NL	Rel.Int.
129.92	5452	111	1000
83.85	2007	157	368
213.06	1502	28	275
223.13	1292	18	236
194.95	572	46	104

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.300	[Chalcone]-A(none)-B(2OH)	Chalcone	3,4-Dihydroxychalcone
0.300	[Chalcone]-A(1OH)-B(1OH)	Chalcone	3,3'-Dihydroxychalcone
0.300	[Chalcone]-A(1OH)-B(1OH)	Chalcone	4,4'-Dihydroxychalcone
0.214	[2'-Hydroxychalcone]-A(2OH)-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxychalcone
0.214	[2'-Hydroxychalcone]-A(1OH)-B(1OH)	2'-Hydroxychalcone	2,2'-Dihydroxychalcone
0.214	[2'-Hydroxychalcone]-A(1OH)-B(1OH)	2'-Hydroxychalcone	4,2'-Dihydroxychalcone
0.200	[Flavanone]-A(1OH)-B(none)	Flavanone	7-Hydroxyflavanone
0.000	[beta-Hydroxy(or Oxodihydro)chalcone]-A(1OH)-B(none)	beta-Hydroxy(or Oxodihydro)chalcone	2',beta-Dihydroxychalcone

Level: 3, プリカーサーm/z: 213.14859

Splash: splash10-0002-0900000000-caec221942ac7a7667d8

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果

FlavonoidSearch結果