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. 2023 Feb 2;11(3):638–648. doi: 10.14218/JCTH.2022.00309

Table 2. Best performing VOCs.

VOC Compound ID RT m/z Average stability score Identification
VOC1 2-Pentanone 5.30598 71.04919 0.916 HRAM, Standard
VOC12 1-pentene, 4-methyl, or 1-hexene 7.62411 42.03163 0.890 NIST
VOC17 Indole 17.13762 116.90607 0.886 HRAM, Standard
VOC4 Dimethyl selenide 3.30723 109.963 0.762 HRAM, Standard
VOC3 Limonene 11.00585 91.05427 0.734 HRAM, Standard
VOC2 Eucalyptol 11.34312 139.11181 0.732 HRAM, Standard
VOC29 Benzene, (1-propylnonyl)- 20.9004 133.19707 0.6 NIST

HRAM, breath biopsy high resolution accurate mass library; VOC, volatile organic compound; RT, retention time.