Table 1.
GC-MS analysis of HMW-PAHs metabolites produced by NarA2B2 variants
| Substrate | Metabolites | Structure | Retention time (min) | Mass spectral characteristics of product (ion abundances) |
|---|---|---|---|---|
| PYE | PYE-4,5-dihydrodiol |  |
18.744 | 147 (100), 73 (70), 290 (60), 202 (35), 291 (34), 189 (27), 380 (22) |
| FLU | FLU-2,3-dihydrodiol |  |
19.559 | 73 (100), 147 (62), 190 (54), 380 (46), 218 (33), 189 (30), 202 (28) |
| monohydroxy-FLU | __ | 19.749 | 290 (100), 275 (65), 189 (40), 73 (28), 291 (27), 200 (23), 215 (18) | |
| BaA | BaA-1,2-dihydrodiol |  |
22.036 | 73 (100), 191 (61), 147 (28), 303 (27), 215 (24), 216 (17), 228 (14) |
| BaA-8,9-dihydrodiol |  |
22.527 | 73 (100), 191 (51), 147 (28), 303 (25), 215 (23), 207 (21), 75 (19) | |
| CHR | CHR-3,4-dihydrodiol |  |
22.169 | 73 (100), 191 (59), 147 (35), 215 (28), 75 (25), 207 (21), 406 (15) |
| BaP | BaP-9,10-dihydrodiol |  |
24.658 | 73 (100), 191 (53), 239 (31), 147 (27), 327 (24), 252 (21), 207 (19) |
| BaP-dihydrodiol | __ | 25.253 | 73 (100), 207 (71), 191 (53), 281 (29), 75 (29), 147 (27), 133 (21) | |
| BbF | BbF-dihydrodiol | __ | 24.260 | 73 (100), 191 (55), 147 (24), 239 (22), 75 (19), 207 (18), 240 (18) |
| BbF-dihydrodiol | __ | 24.416 | 73 (100), 191 (78), 147 (25), 207 (20), 239 (19), 240 (18), 252 (16) |
The hydrogen ions of the hydroxyl groups in all metabolites are replaced by trimethylsilyl groups.
The chemical structures of all metabolites of HMW-PAHs were determined by comparison with published data.
The metabolites whose structure was not determined were indicated by “__”.