ピーク情報

＜コーヒー・ココア類＞コーヒー浸出液

pos

Peak #1860 MN MID: SE118_S160451_M90

m/z: 259.09231, RT: 19.09, 強度: 2708, ログ強度: -0.05, アダクト: [M+H]+, 共有数（同様のピークを含むサンプル数）: 56

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: 0.143, MS3: 0.231

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	-0.591	Spongothymidine	HMDB: HMDB0000884, HMDB0248554 KEGG: C16744
C10H14O6N2	258.08519	-0.591	2'-O-Methyluridine	HMDB: HMDB0240328
C10H14O6N2	258.08519	-0.591	3-Methyluridine	HMDB: HMDB0004813
C10H14O6N2	258.08519	-0.591	5-Hydroxymethyl-2'-deoxyuridine	HMDB: HMDB0246808
C10H14O6N2	258.08519	-0.591	1-Methylpseudouridine	KNApSAcK: C00018102
C10H14O6N2	258.08519	-0.591	(1-Ribosylimidazole)-4-acetate	HMDB: HMDB0002331 KEGG: C05131
C10H14O6N2	258.08519	-0.591	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: 259.09232

Splash: splash10-0006-0090000000-33e611aad13aa390f264

m/z	Int.	NL	Rel.Int.
241.08	42830	18	1000
213.03	2521	46	58
223.04	2291	36	53

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.143	[Flavan 3-ol]-A(2OH)-B(none)	Flavan 3-ol	Distenin
0.143	[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: 241.07585

Splash: splash10-00c0-2960000000-c4217638ea3c8d981e30

m/z	Int.	NL	Rel.Int.
129.93	1339	111	1000
223.12	713	18	532
83.93	590	157	440
213.08	414	28	309
205.13	197	36	146
181.16	166	60	123
195.05	164	46	122
151.07	106	90	78

Score	Symbolized Name	MSMS-Category	MSMS-Aglycone
0.231	[Chalcone]-A(none)-B(2OH)	Chalcone	3,4-Dihydroxychalcone
0.231	[Chalcone]-A(1OH)-B(1OH)	Chalcone	3,3'-Dihydroxychalcone
0.231	[Chalcone]-A(1OH)-B(1OH)	Chalcone	4,4'-Dihydroxychalcone
0.176	[2'-Hydroxychalcone]-A(2OH)-B(none)	2'-Hydroxychalcone	2',4'-Dihydroxychalcone
0.176	[2'-Hydroxychalcone]-A(1OH)-B(1OH)	2'-Hydroxychalcone	2,2'-Dihydroxychalcone
0.176	[2'-Hydroxychalcone]-A(1OH)-B(1OH)	2'-Hydroxychalcone	4,2'-Dihydroxychalcone
0.167	[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

ピーク情報

DB検索結果

MSnスペクトル情報

FlavonoidSearch結果

FlavonoidSearch結果