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. 2025 Aug 5;417(22):5061–5076. doi: 10.1007/s00216-025-06025-5

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