In-house dataset obtained from QC solution, called Breath Mix, containing 12 molecules (2-hexanone, p-xylene, cyclohexanone, 6-methyl-5-hepten-2-one, acetophenone, decane, undecane, nonanal, 1-tetradecene, 6,10-dimethyl-5,9-undecandien-2-one(Z), 1-tetradecene, 6,10-dimethyl-5,9-undecandien-2-one(E), 1-pentadecene). Solution was prepared from pure analytical standards diluted to 1 ppm in methanol. The solution was injected into a LECO GCxGC-ToFMS system equiped with a LN2 cryogenic modulator. Standards were purchased at Restek Crop. (Bellefonte, USA).