ピーク情報

コーヒー豆焙煎後ロブスタ種 / Coffea canephora / アカネ科コーヒーノキ属

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Peak #94 MN MID: SE223_S079_M91

m/z: 99.04420, RT: 3.02, 強度: 76, ログ強度: -0.61, アダクト: [M-H]-, 共有数（同様のピークを含むサンプル数）: 104

DB検索結果: (20 names) Dihydro-3-methyl-2(3H)-furanone;Acetylacetone;3-Methylbutyrolactone;2-Ethylacrylic acid;2-Methyltetrahydrofuran-3-one;3-methyl-4-cis-hydroxy-2-butenal;4-pentenoic acid;Tiglic acid;Methyl methacrylate;...

DBごとのヒット数: ALL 20 KG 6 KN 2 HM 6 LM 6

FlavonoidSearch最大スコア MS2: -, MS3: -

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
C5H8O2	100.05243	-9.487	Dihydro-3-methyl-2(3H)-furanone	HMDB: HMDB0035143 KNApSAcK: C00054041
C5H8O2	100.05243	-9.487	Pentane-2,4-dione	HMDB: HMDB0031648 KEGG: C15499 KNApSAcK: C00054022 LipidMAPS: LMFA12000075
C5H8O2	100.05243	-9.487	3-Methylbutyrolactone	HMDB: HMDB0002167
C5H8O2	100.05243	-9.487	2-Methyltetrahydrofuran-3-one	HMDB: HMDB0031178
C5H8O2	100.05243	-9.487	2-Ethylacrylic acid	HMDB: HMDB0001862 LipidMAPS: LMFA01020111
C5H8O2	100.05243	-9.487	3-methyl-4-cis-hydroxy-2-butenal	HMDB: HMDB0304139, HMDB0304140
C5H8O2	100.05243	-9.487	4-pentenoic acid	HMDB: HMDB0031602 LipidMAPS: LMFA01030007
C5H8O2	100.05243	-9.487	Tiglic acid	HMDB: HMDB0001470, HMDB0029608 KEGG: C08279 KNApSAcK: C00001207, C00029460, C00054028 LipidMAPS: LMFA01020029, LMFA01020030
C5H8O2	100.05243	-9.487	Methyl methacrylate	HMDB: HMDB0032385 KEGG: C14527, C19504
C5H8O2	100.05243	-9.487	2,3-Pentanedione	HMDB: HMDB0031598
C5H8O2	100.05243	-9.487	Isopropenyl acetate	HMDB: HMDB0032351
C5H8O2	100.05243	-9.487	2-Butenoic acid methyl ester	HMDB: HMDB0302473
C5H8O2	100.05243	-9.487	3-pentenoic acid	LipidMAPS: LMFA01030006, LMFA01031005
C5H8O2	100.05243	-9.487	Dihydro-5-methyl-2(3H)-furanone	HMDB: HMDB0033840 LipidMAPS: LMFA07040008
C5H8O2	100.05243	-9.487	Ethyl acrylate	HMDB: HMDB0033978 KEGG: C19238 LipidMAPS: LMFA07010505
C5H8O2	100.05243	-9.487	Glutaral	HMDB: HMDB0029599 KEGG: C12518
C5H8O2	100.05243	-9.487	3-methyl-2-butenoic acid	HMDB: HMDB0000509 KNApSAcK: C00010280 LipidMAPS: LMFA01020097
C5H8O2	100.05243	-9.487	5-Valerolactone	HMDB: HMDB0250981 KEGG: C02240
C5H8O2	100.05243	-9.487	3-Methylbut-3-enoic acid	HMDB: HMDB0170858 LipidMAPS: LMFA01020110
C5H8O2	100.05243	-9.487	2-pentenoic acid	HMDB: HMDB0032459, HMDB0256282 LipidMAPS: LMFA01030005, LMFA01031004

ピーク情報

DB検索結果

MSnスペクトル情報