Table 1.
The significant metabolites in THP-1 macrophages upon polarisation into M1 and M2
| Putative metabolite | Exact mass | RT (min) | Formula | PubChem ID | ID confidence | Polarization state | Fold change | FDR |
|---|---|---|---|---|---|---|---|---|
| 5-Hydroxy-l-tryptophan | 220.0847 | 9.21 | C11H12N2O3 | 439280 | L3 | M1 | 15.44 | 4.12E−06 |
| Cer (d18:1/22:1) | 619.5899 | 5.03 | C40H77NO3 | 53481052 | L3 | M1 | 4.77 | 0.0002 |
| Cytidine | 243.0854 | 11.26 | C9H13N3O5 | 6175 | L2 | M1 | 3.74 | 0.0029 |
| C14 Ceramide | 509.4806 | 5.12 | C32H63NO3 | 5282310 | L3 | M1 | 3.45 | 6.36E−05 |
| Ceramide (d18:1/16:0) | 537.5120 | 5.10 | C34H67NO3 | 5283564 | L3 | M1 | 3.96 | 0.0012 |
| Ceramide (d18:1/18:0) | 565.5435 | 5.10 | C36H71NO3 | 53481047 | L3 | M1 | 4.73 | 0.0156 |
| Ceramide (d18:1/22:0) | 621.6068 | 5.10 | C40H79NO3 | 53481048 | L3 | M1 | 6.84 | 0.0122 |
| Ceramide (d18:1/24:0) | 649.6385 | 5.10 | C42H83NO3 | 5283576 | L3 | M1 | 5.76 | 0.0128 |
| 3-(4-hydroxyphenyl) pyruvate | 180.0423 | 8.52 | C9H8O4 | 5318321 | L3 | M2 | 2.19 | 0.0024 |
| 3-Dehydroxycarnitine | 145.1103 | 6.15 | C7H15NO2 | 725 | L3 | M2 | 3.47 | 0.0078 |
| 4-Imidazolone-5-propanoate | 156.0534 | 9.76 | C6H8N2O3 | 128 | L3 | M2 | 2.08 | 6.3E−05 |
| Alpha-CEHC | 278.1517 | 4.65 | C16H22O4 | 9943542 | L3 | M2 | 2.67 | 6.3E−05 |
| Ala-Ala | 160.0847 | 8.59 | C6H12N2O3 | 5460362 | L3 | M2 | 1.94 | 0.0023 |
| N-Ac-l-Asp | 175.0480 | 11.16 | C6H9NO5 | 65065 | L3 | M2 | 1.07 | 0.0065 |
| N-Ac-l-Glu | 189.0636 | 10.85 | C7H11NO5 | 185 | L2 | M2 | 3.57 | 0.0046 |
| PC(O-14:0/16:0) | 691.5514 | 5.27 | C38H78NO7P | 24779275 | L3 | M2 | 2.12 | 0.0076 |
| PC(P-20:0/0:0) | 535.3997 | 5.66 | C28H58NO6P | 52924063 | L3 | M2 | 3.99 | 0.0139 |
| N-Acetylserotonin | 218.1055 | 6.34 | C12H14N2O2 | 903 | L3 | M1/M2 | 6.78/3.04 | 0.001/0.017 |
(+) indicates the metabolite increase upon polarisation. M1 and M2 indicate the polarisation states. ID confidence represents the level of metabolite identification based on (Schymanski et al. 2014; Sumner et al. 2014, 2007). Ala-AlaD-Alanyl-l-Alanine, N-Ac-L-AspN-acetyl-l-aspartate, N-Ac-L-GluN-acetyl-l-glutamate