Table 1. Processed match output.
Table 1—source data 1. E. coli simple mass database.
elife-70597-table1-data1.csv (225B, csv)
Table 1—source data 2. E. coli matching output and consolidated data.
elife-70597-table1-data2.xlsx (1MB, xlsx)
Table 1—source data 3. MS/MS analysis of E. coli glycan chains and monomers.
elife-70597-table1-data3.pdf (918.1KB, pdf)
Table 1—source data 4. E. coli complex mass database.
elife-70597-table1-data4.csv (4.8KB, csv)
Table 1—source data 5. E. coli muropeptide complex table.
elife-70597-table1-data5.xlsx (44.5KB, xlsx)
| Structure | RT (min) | Abundance (%) | Monoisotopic mass (Da) | |||
|---|---|---|---|---|---|---|
| Av±SD | Av±SD | Obs | Theo | Δppm | ||
| GM|0 | 3.62±0.01 | 3.465±0.683 | 498.205 | 498.206 | 2.5 | |
| Glycans | GM (x2)|0 | 10.11±0.03 | 0.428±0.349 | 976.384 | 976.386 | 2.2 |
| 4.38%±0.35% | GM (anhydro) |0 | 8.20±1.92 | 0.238±0.025 | 478.179 | 478.180 | 2.9 |
| GM (deacetyl) |0 | 2.57±0.00 | 0.155±0.032 | 456.194 | 456.196 | 3.5 | |
| GM (x2) (deacetyl) |0 | 6.86±0.02 | 0.093±0.012 | 934.372 | 934.376 | 3.2 | |
| GM-AEmA|1 | 10.04±0.04 | 36.098±2.131 | 941.405 | 941.408 | 2.8 | |
| GM-AEm|1 | 6.57±0.01 | 14.352±0.397 | 870.368 | 870.371 | 3.0 | |
| GM-AEmKR|1 | 9.56±0.05 | 8.030±0.774 | 1154.563 | 1154.567 | 3.6 | |
| GM-AE|1 | 9.57±0.04 | 1.809±0.231 | 698.284 | 698.286 | 3.1 | |
| GM-AEmG|1 | 7.85±0.05 | 0.689±0.049 | 927.390 | 927.392 | 2.3 | |
| GM-AEm (anhydro) |1 | 13.98±0.02 | 0.668±0.073 | 850.342 | 850.344 | 2.2 | |
| Monomers | GM-AEmA (anhydro) |1 | 16.55±0.01 | 0.573±0.100 | 921.380 | 921.382 | 2.0 |
| 63.14%±1.13% | GM-AEmAG|1 | 9.45±0.05 | 0.219±0.009 | 998.426 | 998.429 | 3.1 |
| GM-AEmKR (anhydro) |1 | 14.83±0.01 | 0.160±0.039 | 1134.537 | 1134.540 | 2.9 | |
| GM-AEmA (deacetyl) |1 | 8.57±0.06 | 0.083±0.055 | 899.394 | 899.397 | 3.1 | |
| GM-GM-AEmA|1 | 13.10±0.02 | 0.075±0.040 | 1419.584 | 1419.588 | 2.9 | |
| GM-AE (anhydro) |1 | 17.44±0.01 | 0.069±0.013 | 678.258 | 678.260 | 2.8 | |
| M-AEm|1 | 4.56±0.01 | 0.062±0.064 | 667.289 | 667.291 | 3.8 | |
| M-AEmKR|1 | 8.16±0.06 | 0.061±0.056* | 951.484 | 951.487 | 3.2 | |
| GM-AEmAA|1 | 11.38±0.04 | 0.059±0.003 | 1012.442 | 1012.445 | 2.4 | |
| M-AEmA|1 | 8.52±0.05 | 0.053±0.015 | 738.325 | 738.328 | 4.0 | |
| GM-GM-AEm|1 | 11.31±0.04 | 0.042±0.025 | 1348.547 | 1348.551 | 2.4 | |
| GM-AEm (deacetyl) |1 | 4.77±0.01 | 0.024±0.014 | 828.358 | 828.360 | 3.0 | |
| GM-GM-AEmKR|1 | 12.18±0.03 | 0.011±0.002* | 1632.742 | 1632.747 | 3.0 | |
| GM-AEmA-GM-AEmA|2 | 16.01±0.02 | 17.247±0.777 | 1864.800 | 1864.805 | 2.3 | |
| GM-AEmA-GM-AEmKR|2 | 14.83±0.02 | 4.589±0.589 | 2077.957 | 2077.964 | 3.0 | |
| GM-AEmA-GM-AEm|2 | 15.09±0.02 | 3.207±0.168 | 1793.763 | 1793.768 | 2.6 | |
| GM-AEmA-GM-AEmA (anhydro) |2 | 20.56±0.01 | 0.873±0.037 | 1844.774 | 1844.778 | 2.4 | |
| GM-AEm-GM-AEmKR|2 | 14.22±0.00 | 0.855±0.101 | 2006.920 | 2006.926 | 3.3 | |
| GM-AEmA-GM-AEmKR (anhydro) |2 | 18.89±0.17 | 0.665±0.079 | 2057.934 | 2057.937 | 1.8 | |
| GM-AEm-GM-AEm|2 | 14.23±0.01 | 0.558±0.062 | 1722.725 | 1722.730 | 3.0 | |
| GM-AEm-GM-AEmAG|2 | 14.68±0.01 | 0.416±0.025 | 1850.785 | 1850.789 | 2.4 | |
| GM-AEmA-GM-AEm (anhydro) |2 | 19.66±0.01 | 0.381±0.028 | 1773.738 | 1773.741 | 2.1 | |
| Dimers | GM-AEmA-GM-AEmAG|2 | 15.33±0.02 | 0.179±0.005 | 1921.822 | 1921.826 | 2.2 |
| 29.54%±0.46% | GM-AEm-GM-AEmKR (anhydro) |2 | 18.07±0.01 | 0.170±0.024 | 1986.896 | 1986.900 | 2.1 |
| GM-AEm-GM-AEm (anhydro) |2 | 18.77±0.01 | 0.141±0.015 | 1702.697 | 1702.704 | 4.5 | |
| GM-AEmA-GM-AEmAA|2 | 16.54±0.01 | 0.075±0.002 | 1935.838 | 1935.842 | 2.1 | |
| GM-AEm-GM-AEmG|2 | 13.91±0.01 | 0.054±0.003 | 1779.747 | 1779.752 | 2.7 | |
| GM-GM-AEmA-GM-AEmA|2 | 17.51±0.01 | 0.046±0.028 | 2342.976 | 2342.985 | 3.6 | |
| GM-AEmA-GM-AEmA (deacetyl) |2 | 15.17±0.01 | 0.029±0.022 | 1822.789 | 1822.794 | 3.0 | |
| GM-AEmA-GM-AEmG (anhydro) |2 | 19.12±0.01 | 0.021±0.001 | 1830.761 | 1830.763 | 0.7 | |
| GM-AEmA-GM-AEmAG (anhydro) |2 | 19.73±0.01 | 0.019±0.002 | 1901.796 | 1901.800 | 2.1 | |
| GM-AEmA-GM-AEmAA (anhydro) |2 | 21.17±0.02 | 0.015±0.002 | 1915.812 | 1915.816 | 1.8 | |
| GM-GM-AEmA-GM-AEm|2 | 16.85±0.00 | 0.003±0.004 | 2271.943 | 2271.947 | 2.1 | |
| GM-AEmA-GM-AEmA-GM-AEmA|3 | 18.86±0.01 | 1.751±0.221 | 2788.192 | 2788.202 | 3.5 | |
| GM-AEmA-GM-AEmA-GM-AEm|3 | 18.23±0.21 | 0.371±0.031 | 2717.158 | 2717.164 | 2.2 | |
| GM-AEmA-GM-AEmA-GM-AEmA (anhydro) |3 | 22.39±0.02 | 0.222±0.027 | 2768.169 | 2768.175 | 2.3 | |
| GM-AEmA-GM-AEmA-GM-AEmKR|3 | 17.54±0.01 | 0.207±0.028 | 3001.350 | 3001.360 | 3.4 | |
| GM-AEmA-GM-AEmA-GM-AEm (anhydro) |3 | 21.60±0.02 | 0.117±0.003 | 2697.133 | 2697.138 | 1.8 | |
| Trimers | GM-AEmA-GM-AEmA-GM-AEmKR (anhydro) |3 | 20.90±0.16 | 0.088±0.026 | 2981.328 | 2981.334 | 2.2 |
| 2.94%±0.36% | GM-AEmA-GM-AEmA-GM-AEmG|3 | 17.72±0.01 | 0.039±0.004 | 2774.182 | 2774.186 | 1.4 |
| GM-AEmA-GM-AEm-GM-AEm|3 | 17.45±0.01 | 0.029±0.005 | 2646.123 | 2646.127 | 1.7 | |
| GM-AEmA-GM-AEm-GM-AEm (anhydro) |3 | 21.16±0.01 | 0.025±0.001 | 2626.096 | 2626.101 | 1.9 | |
| GM-AEmA-GM-AEm-GM-AEmKR|3 | 17.11±0.01 | 0.022±0.002 | 2930.316 | 2930.323 | 2.7 | |
| GM-AEmA-GM-AEmA-GM-AEmAG|3 | 18.24±0.01 | 0.021±0.001 | 2845.217 | 2845.223 | 2.0 | |
| GM-AEmA-GM-AEmA-GM-AEmAA|3 | 19.23±0.01 | 0.014±0.002* | 2859.235 | 2859.239 | 1.3 | |
| GM-AEmA-GM-AEm-GM-AEmKR (anhydro) |3 | 20.31±0.02 | 0.014±0.005 | 2910.293 | 2910.297 | 1.5 | |
| GM-AEm-GM-AEmG-GM-AEmAG|3 | 17.18±0.00 | 0.004±0.005 | 2703.143 | 2703.149 | 2.0 | |
| GM-AEmA-GM-AEm-GM-AEmG (anhydro) |3 | 21.21±0.02 | 0.011±0.003* | 2754.157 | 2754.160 | 1.1 | |
| GM-AEmA-GM-AEmA-GM-AEmAG (anhydro) |3 | 21.77±0.01 | 0.006±0.004 | 2825.189 | 2825.197 | 2.8 | |
Inferrred dimers and trimers are based on the most abundant monomers and could correspond to alternative structures.
G: GlcNAc; M: MurNAc; m: meso-diaminopimelic acid; the number following the symbol ‘|’ refers to the oligomerisation state (1 for monomers, 2 for dimers, and 3 for trimers).
*
Calculated from two values.