. 2022 Jun 21;12:10413. doi: 10.1038/s41598-022-14152-7

Table 2.

Reagent and product ions for all volatile organic compounds analyzed.

Analyte	MW	Reagent ion	Branching raito	Product ion	Product ion m/z
Acetic acid	60	H₃O⁺	1.00	C₂H₅O₂⁺	61
		NO⁺	1.00	C₂H₄O₂∙NO⁺	90
		O2⁺	0.50	C₂H₄O₂⁺	60
Propanoic acid	74	H₃O⁺	0.90	C₃H₇O₂⁺	75
		NO⁺	0.70	C₃H₆O₂∙NO⁺	104
		O₂⁺	0.80	C₃H₆O₂⁺	74
Ethanol	46	H₃O⁺	1.00	C₂H₇O⁺	47
Ethanol	46	NO⁺	1.00	C₂H₅O⁺	45
1-butanol	74	H₃O⁺	0.95	C₄H₉⁺	57
		NO⁺	0.95	C₄H₉O⁺	73
		O₂⁺	0.8	C₂H₈⁺	56
Acetaldehyde	44	H₃O⁺	1.00	C₂H₅O⁺	45
		NO⁺	0.20	C₂H₄O∙NO⁺	74
		NO⁺	0.80	C₂H₃O⁺	43
Acetone	58	H₃O⁺	1.00	C₃H₇O⁺	59
		NO⁺	1.00	C₃H₆O∙NO⁺	88
		O₂⁺	0.40	C₂H₃O⁺	43
Acetonitrile	41	H₃O⁺	1.00	C₂H₄N⁺	42
Isoprene	68	H₃O⁺	1.00	C₅H₉⁺	69
		NO⁺	1.00	C₅H₈⁺	68
		O2⁺	0.45	C₅H₇⁺	67
		O2⁺	0.45	C₅H₈⁺	68

MW molecular weight.