Skip to main content
. Author manuscript; available in PMC: 2019 May 10.
Published in final edited form as: J Med Chem. 2018 Apr 20;61(9):4067–4086. doi: 10.1021/acs.jmedchem.8b00091

Table 2.

Mass Spectrometry Data for β-Lactamases Incubated with DBOs for 5 min and 24 h

5 min 24 h
sample inhibitor molecular weight (MW) ΔMW(ΔDBO) MW ΔMW (ΔDBO)
KPC-2 none 28,723 +0 28,724 +0
KPC-2 3 28,971 +247 28,971 +247
KPC-2 2 29,115 +392 29,115 +392
KPC-2 1 29,101 +378 29,101 +378
KPC-2 avibactam 28,989 +266 28,989 +265
28,892 +168 (−97)
KPC-2 relebactam 29,071 +349 29,072 +350
ADC-7 none 40,639 +0 40,640 +0
ADC-7 3 40,639 (minor) +0 40,640 +0
40,886 +248 40,887 +247
40,806 (minor) +166 (−80) 40,806 (minor) +166 (−80)
ADC-7 2 40,639 (minor) +0 40,640 +0
41,030 +391 41,031 (minor) +247
ADC-7 1 40,639 +0 40,640 +0
41,016 +377 41,018 (minor) +377
ADC-7 avibactam 40,640 (minor) +0 40,641 +0
40,904 +264 40,905 +264
40,824 (minor) +185 (−80) 40,824 +185 (−80)
ADC-7 relebactam 40,639 (minor) +0 40,989 +348
40,987 +349
PDC-3 none 40,654 +0 40,655 +0
40,785 +0 40,786 +0
PDC-3 3 41,033 +246 41,033 +246
40,902 +246 40,903 +246
40,951 (minor) +166 (−80) 40,951 (minor) +166 (−80)
40,820 (minor) +166 (−80) 40,822 (minor) +166 (−80)
PDC-3 2 41,177 +394 41,178 +394
41,046 +394 41,046 +394
PDC-3 1 41,163 +383 41,163 +383
41,032 +383 41,032 +383
PDC-3 avibactam 41,051 +265 41,051 +265
40,920 +265 40,920 +265
40,970 (minor) +185 (−80) 40,970 (minor) +185 (−80)
40,840 (minor) +185 (−80) 40,840 (minor) +185 (−80)
PDC-3 relebactam 41,134 +353 41,134 +353
41,003 +353 41,004 +353
OXA-23 none 27,494 +0 27,494 +0
OXA-23 3 27,494 (minor) +0 27,494 (minor) +0
27,740 +246 27,741 +247
27,660 (minor) +166 (−80) 27,660 (minor) +167 (−80)
OXA-24/40 none 28,664 +0 28,664 +0
OXA-24/40 3 28,664 (minor) +0 28,665 (minor) +0
28,911 +247 28,912 +247
288,32 (minor) +166 (−80) 28,832 (minor) +166 (−80)
OXA-48 none 28,283 +0 28,290 +0
OXA-48 3 28,283 (minor) +0 28,286 (minor) +0
28,530 +247 28,533 +247
28,449 (minor) +166 (−80) 28,451 (minor) +166 (−80)
OXA-48 avibactam 28,549 +266 28,551 +265
28,468 (minor) +185 (−80)