TABLE 2.

GC retention times and MS spectral properties of major compounds formed from CDFs and CDDs by resting cell reactions of E. coli encoding DFDO and CARDO

Substrate	No. of possible productsa	No. of observed productse		RTb (min)	Fragment ionsc	No. of chlorines	Possible productd
		DFDO	CARDO
2-CDF	2	1	1	10.93	454 (M+, 37Cl) (27), 452 (M+, 35Cl) (62), 349 (100), 314 (6)	1	5′-Chloro-2,2′,3-THB
2,8-DCDF	1	1	1	11.67	486 (M+, 35Cl) (71), 383 (100), 253 (21), 173 (20)	2	5,5′-Dichloro-2,2′,3-THB
2-CDD	4	2 (5:1)	2 (5:1)	11.27	470 (M+, 37Cl) (60), 468 (M+, 35Cl) (95), 365 (100), 330 (74), 166 (46)	1	5′-Chloro-2,2′,3-THDE or 4′-chloro-2,2′,3-THDE
				11.43	470 (M+, 37Cl) (22), 468 (M+, 35Cl) (46), 365 (100), 330 (34), 200 (9)	1	5′-Chloro-2,2′,3-THDE or 4′-chloro-2,2′,3-THDE
2,3-DCDD	2	1	1	12.40	502 (M+, 35Cl) (60), 399 (100), 364 (37), 165 (19), 137 (18)	2	4′,5′-Dichloro-2,2′,3-THDE
2,7-DCDD	2	0	1	12.42	502 (M+, 35Cl) (100), 399 (99), 364 (48), 165 (19), 137 (27)	2	4,5′-Dichloro-2,2′,3-THDE or 4′,5-dichloro-2,2′,3-THDE
1,2,3-TCDD	3	1	2 (2:1)	13.03	538 (M+, 35Cl) (100), 435 (63), 398 (24), 179 (51), 137 (26)	3	3′,4′,5′-Trichloro-2,2′,3-THDE or 4′,5′,6′-trichloro-2,2′3-THDE
				13.13	538 (M+, 35Cl) (100), 435 (39), 398 (24), 137 (20)	3	3′,4′,5′-Trichloro-2,2′,3-THDE or 4′,5′,6′-trichloro-2,2′,3-THDE

^aThe number of possible products was calculated on the basis that neither dioxygenation of lateral nor of chlorinated sites is posssible. 

^bAll products were analyzed by GC-MS after derivatization of MSTFA. 

^cFragment ions are expressed as m/z values; relative intensities expressed as percentages are given in parentheses. 

^dPossible products were suggested based on the results described in the text (see Discussion). 

^eRates in parentheses represent the relative amounts of two products (ratio of the product having the earlier RT to the product having the later RT).