Table 2.

Selected ion mode method. List of volatile compounds and kinetic information (i.e., reagent ion, rate coefficients, and product ions) used in volatile compound analysis using selected ion flow tube-mass spectrometry (SIFT-MS).

Compound	Reagent	Reaction Rate, k (cm3/s)	Branching Ratio (%)	Mass-to-Charge Ratio (m/z)	Product
(E)-2-nonenal	H3O+	4.8 × 10−9	100	141	C9H17O+
	H3O+			159	C9H17O+•H2O
	NO+	3.8 × 10−9	80	139	C9H15O+
	NO+		20	169	C9H15O+•NO+
	O2+	3.7 × 10−9	18	83	C5H7O+
				84	C5H8O+
				96	C7H12+
2,3-butanedione	H3O+	1.7 × 10−9	100	87	C4H7O2+
	NO+	1.3 × 10−9	35	43	C2H3O+
	NO+		65	86	C4H6O2+
2-methylpropanal	O2+	3.0 × 10−9	70	72	C4H8O+
3-methylbutanal	NO+	3.0 × 10−9	100	85	C5H9O+
	H3O+	3.6 × 10−9	30	65	C5H6+
3-methylbutanoic acid	H3O+	3.0 × 10−9	95	103	C5H11O2+
	NO+	2.5 × 10−9	70	132	C5H10O2+•NO+
3-methylindole	H3O+	3.3 × 10−9	100	132	C9H10N+
	NO+	2.5 × 10−9	100	131	C9H10N+
	O2+	2.4 × 10−9	20	130	C9H10N+
			75	131	C9H10N+
acetic acid	H3O+	2.6 × 10−9	100	61	CH3COOH2+
				79	CH3COOH2+•H2O
				97	CH3COOH2+•2H2O
ammonia	H3O+	2.6 × 10−9	100	18	NH4+
		2.6 × 10−9		36	NH4+•H2O
	O2+	2.6 × 10−9	100	17	NH3+
butanal	NO+	3.5 × 10−9	100	71	C4H7O+
butanoic acid	H3O+	2.9 × 10−9	90	89	C3H7COOH2+
				107	C3H7COOH2+•2H2O
	NO+	1.9 × 10−9	50	118	NO+•C3H7COOH
diethyl sulfide	O2+	2.5 × 10−9	30	75	C3H7S+
		2.5 × 10−9	35	90	C4H10S+
dimethyl disulfide	NO+	2.4 × 10−9	100	94	(CH3)2S2+
	O2+	2.3 × 10−9	80	94	(CH3)2S2+
dimethyl sulfide	H3O+	2.5 × 10−9	100	63	(CH3)2S.H+
	NO+	2.2 × 10−9	100	62	(CH3)2S+
	O2+	2.2 × 10−9	25	47	CH3S+
dimethyl trisulfide	H3O+	2.8 × 10−9	100	127	C2H6S3H+
	NO+	1.9 × 10−9	100	126	C2H6S3+
	O2+	2.2 × 10−9	15	111	CH3S3+
	O2+	2.2 × 10−9	45	126	C2H6S3+
ethanol	H3O+	2.7 × 10−9	100	47	C2H7O+
		2.7 × 10−9		65	C2H7O+•H2O
		2.7 × 10−9		83	C2H7O+•(H2O)2
	NO+	1.2 × 10−9	100	45	C2H5O+
		1.2 × 10−9		63	C2H5O+•H2O
		1.2 × 10−9		81	C2H5O+•(H2O)2
	O2+	2.3 × 10−9	75	45	C2H5O+
		2.3 × 10−9		63	C2H5O+•H2O
		2.3 × 10−9		81	C2H5O+•2H2O
ethyl butanoate	H3O+	3.0 × 10−9	80	117	C6H12O2•H+
				135	C6H13O2+•H2O
	NO+	2.4 × 10−9	30	146	C6H12O2+•NO+
ethyl hexanoate	H3O+	3.0 × 10−9	100	145	C8H16O2•H+
	H3O+	3.0 × 10−9		163	C8H16O2•H+•H2O
	NO+	2.5 × 10−9	95	174	C8H16O2+•NO+
ethyl methyl sulfide	H3O+	2.4 × 10−9	100	77	CH3SHC2H5+
furaneol	H3O+	4.0 × 10−9	100	129	C6H8O3•H+
		4.0 × 10−9		147	C6H8O3•H3O+
	NO+	2.5 × 10−9	95	128	C6H8O3+
	O2+	3.0 × 10−9	100	128	C6H8O3+
γ-decalactone	H3O+	3.0 × 10−9	100	171	C10H18O2•H+
	NO+	2.5 × 10−9	100	200	C10H18O2•NO+
homofuraneol	H3O+	3.0 × 10−9	100	143	C7H10O3•H+
	H3O+	3.0 × 10−9		161	C7H10O3•H+•H2O
	NO+	2.5 × 10−9	100	142	C7H10O3+
	O2+	2.5 × 10−9	100	142	C7H10O3+
hydrogen sulfide	H3O+	1.6 × 10−9	100	35	H3S+
		1.6 × 10−9		53	H3S+•H2O
	O2+	1.4 × 10−9	100	34	H2S+
methional	O2+	2.5 × 10−9	75	104	C4H8OS+
methionol	NO+	2.5 × 10−9	100	106	C4H10OS+
	O2+	2.5 × 10−9	30	89	C4H9S+
		2.5 × 10−9	40	106	C4H10OS+
methyl mercaptan (methanethiol)	H3O+	1.8 × 10−9	100	49	CH4S.H+
		1.8 × 10−9		67	CH4S.H+•H2O
phenylacetaldehyde	H3O+	3.0 × 10−9	100	121	C8H8O•H+
	H3O+	3.0 × 10−9		157	C8H8O•H+•2H2O+
	NO+	2.5 × 10−9	15	91	C7H7+
	NO+	2.5 × 10−9	60	120	C8H8O+
	NO+	2.5 × 10−9	25	150	C8H8O•NO+
	O2+	2.5 × 10−9	40	91	C7H7+
	O2+	2.5 × 10−9	40	92	C7H8+
	O2+	2.5 × 10−9	20	120	C8H8+
	O2+	2.5 × 10−9		121	C8H8O•H+
propanoic acid	H3O+	2.7 × 10−9	90	75	C2H5COOH2 +
	NO+	1.5 × 10−9	30	57	C2H5CO+
	O2+	2.2 × 10−9	80	74	C2H5COOH+
tetramethylpyrazine	H3O+	3.0 × 10−9	100	137	C8H12N2•H+
	NO+	2.5 × 10−9	100	136	C8H12N2 +
	O2+	2.5 × 10−9	100	136	C8H12N2 +