TABLE 2 .
Exact mass and electrospray ionization-MS/MS fragmentation pattern for all molecules assembleda
| Molecule | Exact mass (calc/obs) | Fragmentation (calc/obs) |
|---|---|---|
| 1 | 211.1077/211.1073 | 137.0239/137.0231 |
| 194.0817/194.0809 | ||
| 1Tc | 430.1609/430.1601 | 137.0239/137.0230 |
| 194.0817/194.0811 | ||
| 277.1175/277.1188 | ||
| 294.1443/294.1457 | ||
| 2 | 282.1812/282.1810 | 72.0813/72.0813 |
| 129.1392/129.1388 | ||
| 194.0817/194.0810 | ||
| 265.1552/265.1542 | ||
| 2Tc | 501.2344/501.2342 | 194.0817/194.0812 |
| 265.1552/265.1540 | ||
| 308.1610/308.1595 | ||
| 365.2178/365.2173 | ||
| 2So | 505.2293/505.2316 | 137.0239/137.0237 |
| 209.0926/209.0924 | ||
| 224.0559/224.0555 | ||
| 2To | 519.2449/519.2439 | 137.0239/137.0232 |
| 194.0817/194.0809 | ||
| 210.0766/210.0758 | ||
| 265.1552/265.1542 | ||
| 282.1807/282.1809 | ||
| 383.2283/383.2294 | ||
| 4 | 239.1390/239.1389 | 86.0970/86.0970 |
| 103.1229/103.1235 | ||
| 137.0239/137.0232 | ||
| 222.1130/222.1132 | ||
| 5 | 225.1234/225.1229 | 72.0813/72.0815 |
| 89.1068/89.1080 | ||
| 137.0239/137.0234 | ||
| 208.0974/208.0968 | ||
| 5Tc | 444.1765/444.1764 | 137.0239/137.0229 |
| 192.0661/192.0661 | ||
| 208.0974/208.0964 | ||
| 225.1228/225.1237 | ||
| 308.1599/308.1617 | ||
| 5To | 462.1871/462.1861 | 137.0239/137.0230 |
| 208.0974/208.0964 | ||
| 225.1228/225.1237 | ||
| 238.0715/238.0717 | ||
| 210.0766/210.0755 | ||
| 6 | 268.1656/268.1654 | 137.0239/137.0232 |
| 194.0817/194.0810 | ||
| 251.1396/251.1381 | ||
| 443.1925/443.1907 | ||
| 6Tc | 487.2187/487.2187 | 137.0239/137.0232 |
| 194.0817/194.0810 | ||
| 277.1188/277.1188 | ||
| 351.2021/351.2016 | ||
| 443.1925/443.1907 | ||
| 6To | 505.2293/505.2290 | 137.0239/137.0232 |
| 194.0817/194.0810 | ||
| 210.0766/210.0758 | ||
| 369.2127/369.2130 | ||
| 7 | 273.1234/273.1228 | 120.0813/120.0811 |
| 137.0239/137.0232 | ||
| 256.0974/256.0964 | ||
| 9 | 287.1390/287.1389 | 91.0548/91.0545 |
| 180.0661/180.0651 | ||
| 9Tc | 506.1922/506.1923 | 91.0548/91.0546 |
| 180.0661/180.0652 | ||
| 287.1385/287.1381 | ||
| 9Sc | 492.1765/492.1754 | 91.0548/91.0548 |
| 287.1385/287.1385 | ||
| 9To | 524.2027/524.2033 | 91.0548/91.0548 |
| 345.1439/345.1460 | ||
| 389.1934/389.1956 | ||
| 10 | 259.1077/259.1076 | 106.0657/106.0656 |
| 137.0239/137.0237 | ||
| 154.0493/154.0497 | ||
| 11 | 273.1234/273.1230 | 120.0813/120.0813 |
| 137.0239/137.0234 | ||
| 256.0974/256.0963 | ||
| 12 | 337.1183/337.1180 | 108.0449/108.0446 |
| 137.0239/137.0232 | ||
| 201.1017/201.1024 | ||
| 21 | 281.1860/281.1857 | 128.1439/128.1435 |
| 137.0239/137.0231 | ||
| 145.1694/145.1699 | ||
| 264.1600/264.1595 | ||
| Ent | 670.1515/670.1509 | 137.0239/137.02134 |
| 206.0459/206.0452 | ||
| 224.0553/224.0554 | ||
| 447.1034/447.1029 | ||
| Ent trimer | 688.1621/688.1613 | 137.0239/137.0230 |
| 224.0559/224.0555 | ||
| 447.1040/447.1018 | ||
| Ent dimer | 465.1140/465.1133 | 137.02139/137.0231 |
| 196.0610/196.0609 | ||
| 224.0559/224.0557 | ||
| Ent monomer | 242.0659/242.0653 | 106.0493/106.0503 |
| 137.0239/137.0234 | ||
| Thr-Ent dimer | 493.1453/493.1448 | 137.0239/137.02131 |
a
calc/obs, calculated/observed; Ent, enterobactin.