No. | Compoundsa | Selected ions (m/z) | Internal standards | Selected ions (m/z) | Calibration factorb |
---|---|---|---|---|---|
1 | Phenylethanol | 105 | 2-[2H] phenylethanol | 107 | 1.02 |
2 | Butanoic acid | 89 | [2H] butanoic acid | 91 | 0.89 |
3 | 3-Methylbutanol | 71 | 3[2H] methylbutanol | 73 | 0.87 |
4 | Acetic acid | 61 | [13C2] acetic acid | 63 | 1.00 |
5 | Ethyl octanoate | 173 | [2H] ethyl octanoate | 176 | 1.00 |
6 | 4-Hydroxy-2,5-dimethyl-3(2H)-furanone | 129 | 4-Hydroxy-2[13C] methyl-5-methyl-3(2H)-furanone | 131 | 1.00 |
7 | 2,3-Butanedione | 87 | [13C4]-2,3-butanedione | 91 | 0.90 |
8 | 3-Methylbutanal | 87 | [2H]-3-methylbutanal | 89 | 1.00 |
9 | 3-Methylbutanoic acid | 60 | [2H]-3-methylbutanoic acid | 62 | 1.00 |
10 | Methional | 105 | [2H]-methional | 108 | 1.00 |
11 | 2-Acetyl-1-pyrroline | 112 | [2H]-2-acetyl-1-pyrroline | 114 | 1.00 |
12 | Phenylacetaldehyde | 121 | [2H]-2-phenylacetaldehde | 123 | 0.85 |
13 | 2-Methoxy-4-vinylphenol | 150 | [13C6]-2-methoxy-4-vinylphenol | 156 | 0.85 |
14 | Vanillin | 137 | [2H]-vanillin | 139 | 0.98 |
15 | (Z)-4-Heptenal | 95 | [2H]-(Z)-4-heptenal | 97 | 0.98 |