Identification of Halohydrins as Potential Disinfection By-Products in Treated Drinking Water

Table 1

Accurate mass measurements (EI mode) of the DBPs using GCT and FTICR instruments.

DBP	Formula	Mass (Calc.)	Mass (GCT)^[a]	Dev.^[c]	Mass (FTICR)^[b]	Dev.^[c]
A	C2H3O	43.01784	43.01795	2.6	—	—
	C3H7O	59.04914	59.04895	−3.2	—	—
	C5H9	69.06988	69.07005	2.5	69.06977	−1.5
	C4H7O	71.04914	71.04915	0.1	71.04912	−0.3
	C5H11O	87.08044	87.08015	−3.3	—	—
	C4H8O^35Cl	107.02582	107.02595	1.2	107.02577	−0.5
	C4H8O^37Cl	109.02287	109.02305	1.7	109.02290	0.3
B	C2H3O	43.01784	43.01815	7.2	—	—
	C2H5O	45.03349	45.03405	12.4	—	—
	C3H7O	59.04914	59.04925	1.9	—	—
	C5H9	69.06988	69.06985	−0.4	69.06985	−0.4
	C4H7O	71.04914	71.04945	4.4	71.04921	1.0
	C5H11O	87.08044	87.08085	4.7	—	—
	C4H8O^79Br	150.97530	150.97695	10.9	150.97542	0.7
	C4H8O^81Br	152.97326	152.97375	3.2	152.97340	0.9
C	C2H3O	43.01784	43.01815	7.2	—	—
	C2H5O	45.03349	45.03385	8.0	—	—
	C4H7	55.05423	55.05455	5.8	—	—
	C3H5O	57.03349	57.03395	8.1	—	—
	C4H9O	73.06479	73.06455	−3.3	73.06467	−1.6
	C3H6O^35Cl	93.01017	93.01035	1.9	93.01013	−0.4
	C4H8O^35Cl	107.02582	107.02645	5.9	107.02572	−1.0
	C4H8O^37Cl	109.02287	109.02355	6.2	109.02279	−0.7

Note. Measurements obtained using ^[a]treated drinking water samples; ^[b]authentic standards of the halohydrins; the ion-guide of the FT-ICR instrument only permits ions with m/z > 65 to be transmitted to the cell; ^[c]the deviation from the calculated value is given in parts per million.