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. 2015 Sep 4;11(9):e1005152. doi: 10.1371/journal.ppat.1005152

Table 3. Modified C-terminal peptides identified from CPG70 tryptic digests using the Orbitrap MS with and without the inclusion of 0.2 M glycine in the growth medium.

CPG70 was purified from W50ABK*WbaP.

Mass Obs (Da) a Delta Mass (Da) b Best Match b Error (ppm) c Relative Intensity c Relative Intensity (Gly)
1421.6930 0 (ref) Water 0 (ref) 100 100
1705.8414 284.1484 G(VQ) 0 90 58
1664.8160 243.1230 G(VS) 4 78 64
1707.8204 286.1274 GTQ 0 30 11
1816.9090 395.2160 GLPQ 1 28 18
1688.8514 267.1584 GLP 0 27 17
1799.8934 378.2005 LQH 2 23 17
1708.8414 287.1484 S(VT) 1 20 13
1923.9314 502.2384 (GMWK) 4 20 -
1846.9210 425.2280 SLPQ 1 18 12
1549.7858 128.0929 K 13 17 -
1722.8574 301.1644 SLT 2 17 9
1577.7934 156.1004 R 3 15 -
1420.7088 -0.9842 Ammonia 2 13 12
1478.7134 57.0210 G 4 - 219

a The delta mass is the observed mass minus the observed mass of the unmodified (water-cleaved) peptide (KAEDYIEVILDD, 1421.6930 Da). With the exception of the glycine-modified peptide, all observed masses are taken from the untreated sample.

b The best match is the metabolite most closely matching the accurate delta mass value using the Metlin database (see Methods). In every case, the best match was a peptide or amino acid. For peptides, the order of amino acids was inferred from the MS/MS data, with the order of bracketed amino acids being uncertain. The mass error (in ppm) associated with this search is provided in the next column.

c The intensity of the strongest MS peak, relative to the unmodified reference peak for the untreated sample. The values for the glycine-treated sample are provided in the next column.