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
neg
|
| Peak #98 MN MID: SE223_S079_M91 |
| m/z: 151.03788, RT: 3.02, 強度: 106, ログ強度: -0.46, アダクト: [M-H]-, 共有数（同様のピークを含むサンプル数）: 55 |
| DB検索結果: (50 names) 8-Azaguanine;Cystamine;2-Methoxybenzoic acid;1-(2-Furanyl)-1,3-butanedione;4-Methylsalicylate;m-Cresotic acid;2-Hydroxy-4-methylbenzoic acid;Vanillin;2',5'-Dihydroxyacetophenone;2,4'-Dihydroxyacetophe... |
| DBごとのヒット数: ALL 42 KG 22 KN 8 HM 11 LM 1 |
| FlavonoidSearch最大スコア MS2: -, MS3: - |
DB検索結果
ppm
| 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 |
|---|---|---|---|---|
| C4H4ON6 | 152.04466 | 3.268 | 8-Azaguanine | HMDB: HMDB0247422 KNApSAcK: C00018697 |
| C4H12N2S2 | 152.04419 | 6.349 | Cystamine | HMDB: HMDB0250701 |
| C8H8O3 | 152.04734 | -14.393 | 2-Methoxybenzoic acid | HMDB: HMDB0032604 |
| C8H8O3 | 152.04734 | -14.393 | 1-(2-Furanyl)-1,3-butanedione | HMDB: HMDB0041283 |
| C8H8O3 | 152.04734 | -14.393 | 4-Methylsalicylate | KEGG: C14103 |
| C8H8O3 | 152.04734 | -14.393 | Vanillin | HMDB: HMDB0012308 KEGG: C00755 KNApSAcK: C00002683, C00029531 |
| C8H8O3 | 152.04734 | -14.393 | 2',5'-Dihydroxyacetophenone | HMDB: HMDB0032629 |
| C8H8O3 | 152.04734 | -14.393 | 4-Hydroxyphenacyl alcohol | HMDB: HMDB0029657 KEGG: C13635 |
| C8H8O3 | 152.04734 | -14.393 | 2',6'-Dihydroxyacetophenone | HMDB: HMDB0029660 |
| C8H8O3 | 152.04734 | -14.393 | Ethyl 2-furanyl diketone | HMDB: HMDB0032919 |
| C8H8O3 | 152.04734 | -14.393 | Mandelic acid | HMDB: HMDB0000703, HMDB0062635 KEGG: C01983, C01984 KNApSAcK: C00037426, C00052341 |
| C8H8O3 | 152.04734 | -14.393 | 2-(Hydroxymethyl)benzoic acid | HMDB: HMDB0032594 KEGG: C10804 KNApSAcK: C00002658 |
| C8H8O3 | 152.04734 | -14.393 | 2-Hydroxyphenylacetate | HMDB: HMDB0000669 KEGG: C05852 |
| C8H8O3 | 152.04734 | -14.393 | Isovanillin | KNApSAcK: C00044826, C00046051, C00047056, C00049046 |
| C8H8O3 | 152.04734 | -14.393 | 4-Hydroxyphenyl acetate | HMDB: HMDB0060390 KEGG: C13636 |
| C8H8O3 | 152.04734 | -14.393 | 3',4'-Dihydroxyacetophenone | HMDB: HMDB0029661 KEGG: C10675 KNApSAcK: C00002693 |
| C8H8O3 | 152.04734 | -14.393 | 4-Hydroxymethylsalicylaldehyde | KEGG: C14108 |
| C8H8O3 | 152.04734 | -14.393 | 4-Methoxy-1,2-benzodioxole | KNApSAcK: C00050719 |
| C8H8O3 | 152.04734 | -14.393 | Methyl furfuracrylate | HMDB: HMDB0032399 LipidMAPS: LMFA07010960 |
| C8H8O3 | 152.04734 | -14.393 | 3-Methylsalicylate | HMDB: HMDB0002390 KEGG: C14088 KNApSAcK: C00044054 |
| C8H8O3 | 152.04734 | -14.393 | 6-Methylsalicylate | KEGG: C02657 KNApSAcK: C00000486 LipidMAPS: LMPK13010002 |
| C8H8O3 | 152.04734 | -14.393 | 4-Methoxy-2,5-toluquinone | KNApSAcK: C00017066 |
| C8H8O3 | 152.04734 | -14.393 | 3,4-Dihydroxyphenylacetaldehyde | HMDB: HMDB0003791 KEGG: C04043 KNApSAcK: C00052036 |
| C8H8O3 | 152.04734 | -14.393 | 4-Methoxybenzoate | HMDB: HMDB0001101 KEGG: C02519 KNApSAcK: C00029536 |
| C8H8O3 | 152.04734 | -14.393 | 3-Hydroxyphenylacetate | HMDB: HMDB0000440 KEGG: C05593 |
| C8H8O3 | 152.04734 | -14.393 | Methyl salicylate | HMDB: HMDB0034172 KEGG: C12305 KNApSAcK: C00030767 |
| C8H8O3 | 152.04734 | -14.393 | Methylparaben | HMDB: HMDB0032572 KNApSAcK: C00030751, C00030771 |
| C8H8O3 | 152.04734 | -14.393 | 4-Hydroxy-3-methylbenzoate | HMDB: HMDB0004815 KEGG: C21167 |
| C8H8O3 | 152.04734 | -14.393 | 2',3'-Dihydroxyacetophenone | HMDB: HMDB0029658 |
| C8H8O3 | 152.04734 | -14.393 | 5-Hydroxy-2-methoxy benzaldehyde | KNApSAcK: C00036597 |
| C8H8O3 | 152.04734 | -14.393 | 1-(5-Methyl-2-furanyl)-1,2-propanedione | HMDB: HMDB0033003 |
| C8H8O3 | 152.04734 | -14.393 | 2-Propenyl 2-furancarboxylate | HMDB: HMDB0036907 |
| C8H8O3 | 152.04734 | -14.393 | 3-Methoxytropolone | KEGG: C02639 |
| C8H8O3 | 152.04734 | -14.393 | 3-Methoxybenzoic acid | HMDB: HMDB0032606 |
| C8H8O3 | 152.04734 | -14.393 | Phenoxyacetate | HMDB: HMDB0031609 KEGG: C02181 |
| C8H8O3 | 152.04734 | -14.393 | Resorcinol monoacetate | HMDB: HMDB0257165 KEGG: C12064 |
| C8H8O3 | 152.04734 | -14.393 | 3',5'-Dihydroxyacetophenone | HMDB: HMDB0029662 |
| C8H8O3 | 152.04734 | -14.393 | 2-Hydroxy-5-methoxybenzaldehyde | KNApSAcK: C00044431 |
| C8H8O3 | 152.04734 | -14.393 | 2',4'-Dihydroxyacetophenone | HMDB: HMDB0029659 KEGG: C03663 KNApSAcK: C00033340 |
| C8H8O3 | 152.04734 | -14.393 | 4-Hydroxyphenylacetate | HMDB: HMDB0000020 KEGG: C00642 KNApSAcK: C00050490 |
| C8H8O3 | 152.04734 | -14.393 | Menisdaurilide | KEGG: C17900 KNApSAcK: C00042233, C00042728 |
| C8H8O3 | 152.04734 | -14.393 | 4-Methyl-2,6-dihydroxy-benzaldehyde | KNApSAcK: C00029760 |