Measured mass (m/z) | Theoretical mass (m/z) | Tentative identification | Sum formula | ln ppb av | CV (%) | SD | h2 | |||
---|---|---|---|---|---|---|---|---|---|---|
\(\upsigma_{\text{P}}\) | \(\upsigma_{\text{E}}\) | \(\upsigma_{\text{H}}\) | \(\upsigma_{\text{A}}\) | |||||||
49.011 | 49.0106 | Methanethiol | CH5O+ | 6.82 | 9.8 | 0.994 | 0.800 | 0.507 | 0.302 | 0.125 |
57.033 | 57.0335 | 3-Methyl-1-butanol | C3H5O+ | 6.70 | 10.0 | 1.007 | 0.805 | 0.516 | 0.317 | 0.134 |
75.080 | 75.0810 | Butan-1-ol, pentan-1-ol, heptan-1-ol | C4H11O+ | 7.70 | 14.7 | 0.990 | 0.763 | 0.554 | 0.302 | 0.136 |
81.070 | 81.0699 | Alkyl fragment (terpenes) | C6H9 + | 5.37 | 8.6 | 1.021 | 0.669 | 0.692 | 0.340 | 0.206 |
83.086 | 83.0855 | Hexanal, nonanal | C6H11 + | 6.13 | 11.3 | 0.998 | 0.825 | 0.453 | 0.333 | 0.140 |
95.017 | 95.0161 | Methyldisulfanylmethane | C2H7O2S+ | 5.04 | 14.1 | 1.013 | 0.847 | 0.415 | 0.370 | 0.161 |
117.091 | 117.0910 | Ethyl butanoate, ethyl-2-methylpropanoate | C6H13O2 + | 9.14 | 6.6 | 0.986 | 0.780 | 0.526 | 0.295 | 0.125 |
118.095 | 118.0940 | Ethyl butanoate, ethyl-2-methylpropanoate | C5[13]CH13O2 + | 6.53 | 8.7 | 0.986 | 0.775 | 0.531 | 0.298 | 0.129 |
145.123 | 145.1220 | Ethyl hexanoate, octanoic acid | C8H17O2 + | 7.43 | 10.5 | 0.971 | 0.777 | 0.495 | 0.304 | 0.133 |
146.126 | 146.1260 | Ethyl hexanoate, octanoic acid | C [13]7 CH17O2 + | 5.30 | 11.5 | 0.972 | 0.774 | 0.498 | 0.310 | 0.138 |