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Table 1 LC-HRMS analysis of SPE-treated supernatants of bacterial cultures expressing a CDPS/CDO couple originating from the same operon

From: In vivo characterization of the activities of novel cyclodipeptide oxidases: new tools for increasing chemical diversity of bioproduced 2,5-diketopiperazines in Escherichia coli

Host of origin Searched compound
Name Molecular formula of [M + H]+ Expected m/z Observed m/z RT (min)a Peak area (EIC)
Nocardiopsis potens cFA C12H15N20+2 219.1128 219.1127 32.75 8.33E+05
∆cFA C12H13N20+2 217.0972 217.0971 33.57 3.49E+04
    217.0971 38.58 3.04E+05
∆∆cFA C12H11N20+7 215.0815
cFY C18H19N20+3 311.1390 311.1390 37.41 4.43E+05
∆cFY C18H17N20+3 309.1234 309.1234 38.75 3.34E+05
    309.1234 39.57 4.58E+05
∆∆cFY C18H15N20+3 307.1077 307.1077 44.02 6.13E+04
cFM C14H19N202S+ 279.1162 279.1162 39.11 3.92E+06
∆cFM C14H17N202S+ 277.1005 277.1006 40.08 7.76E+05
    277.1006 42.16 7.75E+05
∆∆cFM C14H15N202S+ 275.0849 275.0849 43.17 3.86E+04
    275.0849 44.05 1.59E+05
cFL C15H21N20+2 261.1598 261.1598 40.93 1.36E+05
∆cFL C15H19N20+2 259.1441 259.1441 41.36 2.17E+05
    259.1441 44.26 5.70E+05
∆∆cFL C15H17N20+2 257.1285 257.1284 44.79 1.59E+04
    257.1284 45.75 9.23E+04
cFF C18H19N20+2 295.1441 295.1441 41.81 6.13E+06
∆cFF C18H17N20+2 293.1285 293.1285 42.58 4.09E+05
    293.1284 43.17 7.77E+06
∆∆cFF C18H15N20+2 291.1128 291.1128 46.98 1.62E+05
    291.1128 47.9 2.55E+05
Actinomadura oligospora (pathway 1) cFY C18H19N20+3 311.1390 311.1390 37.62 1.01E+07
∆cFY C18H17N20+3 309.1234 309.1233 37.17 1.37E+05
    309.1234 38.67 4.09E+06
    309.1233 39.78 2.26E+06
    309.1233 40.14 2.00E+05
∆∆cFY C18H15N20+3 307.1077 307.1077 43.6 8.98E+04
    307.1078 44.49 4.63E+05
cYY C18H19N20+4 327.1339 327.1339 29.92 1.25E+05
∆cYY C18H17N20+4 325.1183 325.1183 32.60 2.21E+05
∆∆cYY C18H15N20+4 323.1026 323.1028 41.48 5.52E+04
cWY C20H20N30+3 350.1499 350.1499 37.65 4.37E+05
∆cWY C20H18N30+3 348.1343
∆∆cWY C20H16N30+3 346.1186
Streptomyces catenulae cFY C18H19N20+3 311.1390 311.1390 37.51 9.80E+06
∆cFY C18H17N20+3 309.1234 309.1233 37.18 9.64E+04
    309.1234 38.76 1.89E+06
    309.1234 39.59 3.13E+06
    309.1234 39.97 1.81E+05
∆∆cFY C18H15N20+3 307.1077 307.1077 42.82 1.74E+04
    307.1076 43.64 5.59E+04
cWY C20H20N30+3 350.1499 350.1499 37.66 3.41E+05
∆cWY C20H18N30+3 348.1343
∆∆cWY C20H16N30+3 346.1186
Streptomyces rimosus cWY C20H20N30+3 350.1499 350.1498 37.40 1.01E+07
∆cWY C20H18N30+3 348.1343 348.1343 38.41 1.81E+06
    348.1340 38.73 9.73E+06
    348.1342 39.02 2.45E+06
∆∆cWYb C20H16N30+3 346.1186
cWW C22H21N40+2 373.1659 373.1659 41.62 2.71E+06
∆cWWb C22H19N40+2 371.1503
∆∆cWW C22H17N40+2 369.1346
Streptomyces sp. NRRL F–5123 cWP C16H18N30+2 284.1394 284.1393 38.08 1.80E+05
∆cWP C16H16N30+2 282.1237 282.1235 37.33 1.80E+07
∆cWP C16H14N30+2 280.1081 280.1081 37.36 1.04E+05
cWL C17H22N30+2 300.1707 300.1706 39.8 1.19E+06
∆cWL C17H20N30+2 298.1550 298.1550 40.64 7.38E+05
∆∆cWL C17H18N30+2 296.1394
Actinomadura oligospora (pathway 2) cWW C22H21N40+2 373.1659 373.1658 41.04 1.28E+07
∆cWW C22H19N40+2 371.1503 371.1504 41.18 1.50E+05
∆∆cWW C22H17N40+2 369.1346 369.1345 41.15 1.00E+04
Streptomyces aidingensis cWL C17H22N30+2 300.1707 300.1706 40.06 3.26E+06
∆cWL C17H20N30+2 298.1550 298.1550 40.95 1.28E+07
∆∆cWL C17H18N30+2 296.1394
cFL C15H21N20+2 261.1598 261.1598 41.18 7.00E+04
∆cFL C15H19N20+2 259.1441
∆∆cFL C15H17N20+2 257.1285
cWF C20H20N30+2 334.1550 334.1550 41.65 1.29E+05
∆cWF C20H18N30+2 332.1394 332.1393 42.66 1.96E+05
∆∆cWL C20H16N30+2 330.1237
  1. Experiments from bacterial transformations to LC-HRMS were performed twice independently and each sample was injected twice on an LC-HRMS; one set of results (one experiment, one injection) is presented; differences between samples corresponding to the same experimental condition are indicated
  2. aRT, retention time
  3. bTrace amounts were detected in some analysis