Table 14. Measured (the first 9 in the table) or hypothesized (the others)* VOCs that emerged as significant in our models**.
| IBD vs. Ctrls | CD vs. UC | IBD vs. Gastro Ctrls | |
|---|---|---|---|
| Age (years) | + | + | + |
| CH4: Methane (MW 16) | – | – | |
| NH3: Ammonia (MW 17) | + | + | |
| C2H3N: Acetonitrile (MW 41) | – | – | |
| C3H6: Propene (MW 42) | + | + | |
| N2O: Nitrous Oxide (MW 44) | + | ||
| C2H4O: Acetaldehyde (MW 44) | + | – | + |
| HNO2: Nitrous Acid (47) | – | – | |
| C2H4O2: Acetic Acid (MW 60) | + | + | |
| C4H8O: Methyl Ethyl Ketone (MW 72) | – | + | |
| M29: Methanimine (CH3N) | + | ||
| M67: Pyrrole (C4H5N) | – | ||
| M69: Isocyanatoethene (C3H3NO) or 2H–imidazolium (C3H5N2) | – | ||
| M70: Cyclopentane (C5H10) or crotonaldeyde (C4H6O) | – | ||
| M74: Propylhidrazyne (C3H10N2) or allyl mercaptane (C3H6S) | – | – | – |
| M75: Trimethylamine N–oxide (C3H9NO) | + | ||
| M76: Carbon disulfide (CS2) | + | ||
| M77: Methyl nitrate (CH3NO3) | – | ||
| M79: Pyridine (C5H5N) | – | + | – |
| M81: 1 or 3–Methylpyrrole (C5H7N) | + | + | |
| M89: 1–Nitropropane or 2–Nitropropane (C3H7NO2) or 2–(Dimethylamino)ethanol (C4H11NO) | – | – | – |
| M90: 2,2–Butanediol (C4H10O2) or ethoxyethanol (C4H10O2) | – | ||
| M91: 3–Aminopropanethiol (C3H9NS) | + | ||
| M94: Phenol (C6H6O) | + | ||
| M99: Ethyl cyanoformate (C4H5NO2) | + | ||
| M105: 2–(Ethylamino)ethanethiol or 2–(Dimethylamino)Ethanethiol (C4H11NS) | – | – | – |
| M107: 2,6–Dimethylpyridine (C7H9N) | – | – | |
| M114: 2,3,3–trimethylpentane (C8H18) | + | ||
| M115: 1–Pyrrolidineethanol (C6H13NO) or 2–Methoxythiazole (C4H5NOS) | – | ||
| M118: several molecules satisfy the inclusion criteria | + |
* In italics the compounds for which we could not find evidence in the literature.
** The last three columns show the molecules retained by each model in gray; the plus or minus sign designates the sign of the coefficient in the regression model.