TABLE 2.
Heatmap of UPLC-MS fingerprinting of secondary metabolite profiles in the extracts of the three different Xenorhabdus cultures (refer to Figures 3, 4).
| Compound Number |
Rt (min) | Culture extract | Monoisotopic M r of major cations (1+) in UPLC run | |||
|---|---|---|---|---|---|---|
| NAA | NAO | AB | SM | |||
| 1 | 2.74 | 1 | 1 | 98 | 0 | 479.298 |
| 2 | 2.75 | 49 | 16 | 32 | 4 | 652.401 |
| 3 | 2.77 | 4 | 30 | 8 | 59 | 445.313 |
| 4 | 2.81 | 37 | 24 | 38 | 2 | 751.367 |
| 5 | 2.84 | 45 | 21 | 32 | 2 | 758.407 |
| 6 | 2.85 | 29 | 34 | 30 | 7 | 558.330 |
| 7 | 2.89 | 17 | 44 | 27 | 11 | 627.349 |
| 8 | 2.92 | 8 | 53 | 12 | 26 | 427.302 |
| 9 | 2.98 | 1 | 0 | 99 | 0 | 474.342 |
| 10 | 2.98 | 17 | 25 | 36 | 23 | 473.275 |
| 11 | 3.01 | 33 | 24 | 32 | 12 | 1100.576 |
| 12 | 3.02 | 30 | 9 | 59 | 3 | 530.297 |
| 13 | 3.02 | 54 | 27 | 18 | 1 | 1025.567 |
| 14 | 3.16 | 91 | 7 | 2 | 0 | 1078.806* |
| 15 | 3.40 | 48 | 4 | 43 | 4 | 1124.634 |
| 16 | 3.50 | 9 | 29 | 49 | 13 | 889.481 |
| 17 | 3.59 | 5 | 60 | 7 | 28 | 671.413 |
| 18 | 3.75 | 2 | 68 | 0 | 29 | 407.217* |
| 19 | 4.42 | 4 | 39 | 7 | 50 | 434.265 |
| 20 | 7.05 | 3 | 2 | 10 | 86 | 881.543 |
| 21 | 8.02, 9.59 | 3 | 46 | 1 | 50 | 354.220 |
| 22 | 8.93 | 4 | 12 | 5 | 80 | 758.455 |
| 23 | 9.90 | 3 | 28 | 4 | 66 | 394.211 |
| 24 | 9.90 | 1 | 14 | 2 | 83 | 372.229 |
| 25 | 10.47 | 5 | 28 | 4 | 62 | 355.198 |
| 26 | 10.49 | 1 | 18 | 1 | 80 | 333.217 |
| 27 | 11.14 | 1 | 7 | 2 | 90 | 386.244 |
| 28 | 11.35 | 2 | 5 | 4 | 89 | 792.416 |
| 29 | 11.82 | 1 | 17 | 4 | 77 | 719.432 |
| 30 | 11.83 | 2 | 1 | 11 | 87 | 1437.882 |
| 31 | 11.85 | 5 | 28 | 12 | 56 | 741.431 |
| 32 | 11.90 | 3 | 13 | 2 | 83 | 347.235 |
| 33 | 12.20 | 2 | 7 | 2 | 89 | 753.433 |
| 34 | 13.33 | 0 | 7 | 9 | 84 | 1286.809 |
| 35 | 13.7, 14.2, 14.7 | 0 | 24 | 0 | 76 | 1322.803 |
| 36 | 13.8, 14.2, 14.8 | 0 | 15 | 1 | 84 | 1300.823 |
| 37 | 14.63 | 0 | 0 | 4 | 96 | 1330.840 |
| 38 | 14.74 | 0 | 78 | 0 | 22 | 1350.832 |
| 39 | 14.86 | 0 | 66 | 2 | 32 | 1328.853 |
| 40 | 14.89 | 0 | 7 | 1 | 92 | 1312.822 |
| 41 | 15.97 | 0 | 16 | 1 | 83 | 1331.860 |
| 42 | 15.97 | 0 | 17 | 1 | 82 | 1314.838 |
| 43 | 15.97 | 0 | 23 | 7 | 70 | 1352.794 |
| 44 | 15.99 | 0 | 32 | 1 | 67 | 1336.817 |
The ions were selected from the top 50 most abundant ions after confirmation in the UPLC-MS profile. Refer to Supplementary data on analyses.
The numbers within blocks indicate the relative signal in the ESMS detection of the different compounds (total sample signal was normalized and then the relative signal for each ion was calculated). The m/z values in bold indicated most abundant ions, those underlined were purified further for more detailed structural analyses (refer to Figures 5–8; Supplementary Figures S1–4) and known compounds and detected metabolites (refer to Figure 5; Table 3) are indicated with an * and #, respectively.