Table 1.
List of VOCs significantly enriched in breath and reproducibly detected in at least one method (ReCIVA or Tedlar bag), along with their respective retention time (RT), experimental nonpolar retention index (NPRI), and base m/z value
# | VOC | RT (avg) | exp. NPRI | Base m/z |
---|---|---|---|---|
1 | Acetone | 1.86 | 567.4874 | 43 |
2 | Isoprene | 1.91 | 570.5919 | 67 |
3 | Dimethyl sulfide | 1.96 | 573.6964 | 62 |
4 | Sulfide, allyl methyl | 3.3 | 656.897 | 73 |
5 | Methyl propyl sulfide | 3.53 | 671.1777 | 61 |
6 | 1-Propene, 1-(methylthio)-, (E)- | 3.87 | 692.2883 | 73 |
7 | Tetrachloroethylene | 5.2 | 774.868 | 166 |
8 | a-Pinene | 7.78 | 935.0602 | 91 |
9 | b-Pinene | 8.1 | 954.929 | 93 |
10 | 3-carene | 9.37 | 1033.7833 | 91 |
11 | o-Cymene | 9.65 | 1051.1685 | 119 |
12 | Limonene | 9.74 | 1056.7566 | 67 |
13 | Benzothiazole | 13.01 | 1259.7909 | 135 |
14 | Indole | 14.04 | 1323.7436 | 117 |
15 | Caryophyllene | 16.06 | 1449.1654 | 91 |