Table 2. Film labels and masses with significant causal links are shown (Injury, Comedy, and Mystery) and two examples where masses and labels were not linked (Romance and Chase).
| Injury | ||||
| Mass | Sig | AUC | Formula | Possible ID/Comment |
| none | 0.84929 | |||
| m 374.082 | 0.004 | 0.81808 | siloxanes | |
| m 73.947 | 0.015 | 0.82840 | ||
| m 85.028 | 0.018 | 0.82524 | C4H4O2 | 2 (5H)-furanone (Br) |
| m 105.034 | 0.030 | 0.81353 | C4H8OS | 3-(methylthio)-propanal (F, U, M) |
| m 100.938 | 0.031 | 0.81562 | ||
| m 40.974 | 0.035 | 0.82323 | ||
| m 45.034 | 0.040 | 0.82347 | Acetaldehyde (F, U, Br, Sk, M, Bl, Sa), Ethylene oxide (F, Br) | |
| m 55.058 | 0.040 | 0.83322 | Butadiene (Br), Butyne (Br) | |
| m 33.034 | 0.044 | 0.82877 | Methanol (F, Br, M, Bl) | |
| Comedy | ||||
| none | 0.77843 | |||
| m 235.208 | 0.010 | 0.75878 | C15H26N2 | |
| m 111.080 | 0.031 | 0.76360 | C7H10O | 1,3-cyclohexadien-1-yl methyl ether (Br), 2-ethyl-5-methylfuran (F, U, Br), (E, Z)-2,4-heptadienal (M), 3-methyl-2-cyclohexen-1-one (U, Br), propylfuran (Br), 2,3,5-trimethylfuran (U, Br) |
| m121.065 | 0.045 | 0.76266 | C8H8O | Acetophenone (F, U, Br, Sk, M, Sa), 2,3-dihydro-1-benzofuran (Br), 4-methylbenzaldehyde (F), phenyl acetaldehyde/phenylethanal/benzene acetaldehyde (F, M) |
| Mystery | ||||
| none | 0.79193 | |||
| m 217.204 | 0.024 | 0.73270 | C15H20O | a-hexyl cinnamaldehyde (Sk) |
| m 108.959 | 0.030 | 0.69253 | ||
| m 159.143 | 0.040 | 0.69335 | C9H18O2 | 1-methylhexyl acetate (Sk), isoamyl butanoate (Br), heptanoic acid, ethyl ester (F), hexanoic acid, propyl ester (F), 3-methylbutanoic acid, butyl ester (F), 2-methyloctanoic acid (Sk), 2-methylbutyl 2-methylpropanoate (Br), nonanoic acid (U, Br, Sk, M, Sa), pentanoic acid, butyl ester (F), propanoic acid, hexyl ester (F) |
| m 138.140 | 0.046 | 0.71237 | 13CC9H16 | Isotope of monoterpenes |
| Romance | ||||
| none | 0.55738 | |||
| m 95.049 | 0.157 | 0.54349 | C6H6O | |
| m 79.002 | 0.165 | 0.54388 | ||
| m 70.077 | 0.289 | 0.54591 | 13CC4H8 | Isotope of isoprene |
| Chase | ||||
| none | 0.55248 | |||
| m122.109 | 0.128 | 0.47477 | C8H11N | |
| m100.084 | 0.135 | 0.47568 | C5H9NO | |
| m164.971 | 0.169 | 0.47155 | ||
| m135.030 | 0.175 | 0.50660 | C8H6O2 | |
The AUC value for “none” means the result with the complete dataset, and the values below are AUCs when the stated mass is removed from the model. Significance and AUC are given for each mass as well as an elemental formula and possible molecular identities based on previous measurements from human emissions summarized by de Lacy Costello et al.1. The abbreviations refer to where the species were previously measured Br = Breath, Sk = Skin, U = Urine, F = Faeces, Bl = Blood and M = Mucus).