Table 1.
Compounds | Molecular Formula | tR (min) | [M + H]+ | [M + Na]+ | Observed [M + H]+ | Error (ppm) |
---|---|---|---|---|---|---|
Surfactin group | ||||||
C-12 Surfactin # | C49H85N7O13 | 5.91 | 980.6284 | 1002.6104 | 980.6276 | −0.82 |
C-13 Surfactin # | C50H87N7O13 | 6.22 | 994.6440 | 1016.6260 | 994.6445 | 0.50 |
C-13 Surfactin # | C51H89N7O13 | 6.39 | 1008.6597 | 1030.6417 | 1008.6606 | 0.89 |
C-14 Surfactin # | C52H91N7O13 | 6.65 | 1022.6753 | 1044.6573 | 1022.6745 | −0.78 |
C-15 Surfactin # | C53H93N7O13 | 7.11 | 1036.6912 | 1058.6732 | 1036.6905 | −0.68 |
C-14 Surfactin *,# | C52H91N7O14 | 5.66 | 1038.6702 | 1060.6522 | 1038.6667 | −3.37 |
C-16 Surfactin # | C54H95N7O13 | 7.16 | 1050.7059 | 1072.6879 | 1050.7073 | 1.33 |
C-15 Surfactin *,# | C53H95N7O14 | 5.41 | 1054.7029 | 1076.6849 | 1054.7013 | −1.52 |
C-17 Surfactin | C55H97N7O13 | 7.32 | 1064.7223 | 1086.7043 | 1064.7214 | −0.85 |
C-19 Surfactin | C57H101N7O13 | 7.51 | 1078.7379 | 1100.7199 | 1078.7374 | −0.46 |
Iturin group | ||||||
C-11 Iturin # | C45H70N12O14 | 2.92 | 1015.5221 | 1037.5041 | 1015.5179 | −4.14 |
C-13 Iturin A1 # | C48H74N12O14 | 3.43 | 1043.5526 | 1065.5346 | 1043.5489 | −3.55 |
C-14 Iturin A2 # | C49H76N12O14 | 3.62 | 1057.5682 | 1079.5502 | 1057.5686 | 0.38 |
C-16 Iturin A6 # | C50H78N12O14 | 3.96 | 1071.5839 | 1093.5659 | 1071.5805 | −3.17 |
C-17 Iturin A8 # | C51H80N12O14 | 4.14 | 1085.5995 | 1107.5815 | 1085.5958 | −3.41 |
Fengycin group | ||||||
C-14 Fengycin A # | C70H106N12O20 | 4.01 | 1435.7725 | 1457.7545 | 1435.7688 | −2.58 |
C-16 Fengycin A *,# | C72H110N12O19 | 4.72 | 1447.8088 | 1469.7908 | 1447.8038 | −3.45 |
C-15 Fengycin A # | C71H108N12O20 | 4.29 | 1449.7881 | 1471.7701 | 1449.7848 | −2.28 |
C-16 Fengycin A # | C72H110N12O20 | 4.36 | 1463.8038 | 1485.7858 | 1463.8012 | −1.78 |
C-15 Fengycin B # | C72H110N12O20 | 4.49 | 1477.8194 | 1499.8014 | 1477.8159 | −2.37 |
C-17 Fengycin D *,# | C73H112N12O19 | 5.05 | 1489.8576 | 1511.8396 | 1489.8540 | −2.42 |
C-16 Fengycin B # | C74H114N12O20 | 4.52 | 1491.8351 | 1513.8171 | 1491.8308 | −2.88 |
C-17 Fengycin B # | C75H116N12O20 | 4.67 | 1505.8510 | 1527.8490 | 1505.8460 | −3.12 |
* Linear form of lipopeptides; # The lipopeptides were detected both in BPD1 crude extract and the commercial standards.