Table 1.
Details of differential features identified between varicose and non-varicose veins groups on UP-LCMS ESI +/− and UP-LCMS HILIC +/− ESI analysis.
| Met Name | Mol Formula as Detected | Retention Time (min) | m/z (found) | m/z (theor) | Fold change | p-value | Δppm | Higher in group |
|---|---|---|---|---|---|---|---|---|
| UP-LCMS ESI +/− (Organic extracts) | ||||||||
| Cer(d18:0/22:0) | C40H80NO2+[M+H−H2O]+ | 13.49 | 606.6188 | 606.6189 | −2.1 | 0.01 | 0 | Non-VVs |
| lysoPC(18:1) | C26H53NO7P+[M+H]+ | 01.22 | 0522.3529 | 522.3554 | −1.7 | 0.03 | −5 | Non-VVs |
| TG(12:0/14:0/18:1) TG(12:0/16:0/16:1) | C47H92NO6+[M+NH4]+ | 14.77 | 0766.6937 | 766.6919 | −2.1 | 0.03 | 2 | Non-VVs |
| TG(12:0/16:0/18:1) TG(14:0/16:1/16:0) | C49H96NO6+[M+NH4]+ | 15.10 | 0794.7231 | 794.7232 | −1.8 | 0.007 | 0 | Non-VVs |
| TG(14:0/16:0/18:1) | C51H100NO6+[M+NH4]+ | 15.42 | 0822.7546 | 822.7545 | −1.6 | 0.002 | 0 | Non-VVs |
| TG(15:0/16:0/18:1) TG(14:0/17:0/18:1)* | C52H102NO6+[M+NH4]+ | 15.55 | 0837.7767 | 837.7741 | −1.5 | 0.02 | 3 | Non-VVs |
| TG(16:0/16:0/18:1)* | C53H104NO6+[M+NH4]+ | 15.71 | 0851.7901 | 851.7897 | −1.5 | 0.01 | 0 | Non-VVs |
| PC(18:0/20:3)* | C46H87NO8P+[M+H]+ | 08.61 | 0813.6229 | 813.6203 | 1.5 | 0.007 | 3 | VVs |
| PC(38:4)* | C46H85NO8P+[M+H]+ | 07.06 | 0811.6074 | 811.6047 | 1.4 | <0.0001 | 3 | VVs |
| PE(O-16:1/22:6) | C43H75NO7P+[M+H]+ | 06.49 | 0748.5290 | 748.5276 | 1.4 | 0.01 | 2 | VVs |
| PS(16:0/22:6) | C44H75NO10P+[M+H]+ | 04.29 | 0808.5168 | 808.5123 | 1.6 | 0.0002 | 6 | VVs |
| PS(18:0/20:1) | C44H85NO10P+[M+H]+ | 10.07 | 0818.5855 | 818.5906 | 1.5 | 0.0002 | −6 | VVs |
| PS(18:0/20:3) | C44H81NO10P+[M+H]+ | 06.65 | 0814.5615 | 814.5593 | 1.4 | 0.01 | 3 | VVs |
| PS(18:0/22:6) | C46H79NO10P+[M+H]+ | 05.55 | 0836.5463 | 836.5436 | 1.7 | 0.003 | 3 | VVs |
| SM(d18:2/24:0) | C47H94N2O6P+[M+H]+ | 12.77 | 0813.6874 | 813.6844 | 1.3 | 0.0007 | 4 | VVs |
| SM(d18:2/24:1) | C47H91N2O6PNa+[M+Na]+ | 09.85 | 0833.6557 | 833.6507 | 1.3 | 0.0008 | 6 | VVs |
| Cer(d40:1) | C41H80NO5 [M+FA−H]− | 13.49 | 0666.6050 | 666.6042 | −1.2 | 0.01 | 1 | Non-VVs |
| Alanine | C3H6NO2−[M−H]− | 00.54 | 0088.0398 | 88.0404 | 1.9 | <0.0001 | −7 | VVs |
| Creatine | C4H8N3O2−[M−H]− | 00.54 | 0130.0611 | 130.0622 | 1.6 | 0.003 | −8 | VVs |
| Glutamine | C5H8NO4−[M−H]− | 00.54 | 0146.0459 | 146.0459 | 1.8 | 0.0002 | 0 | VVs |
| Guanosine | C10H12N5O5−[M−H]− | 00.54 | 0282.0840 | 282.0844 | 1.4 | 0.005 | −1 | VVs |
| Inosine | C10H11N4O5−[M−H]− | 00.54 | 0267.0724 | 267.0735 | 1.6 | 0.001 | −4 | VVs |
| PC(18:0/20:3) | C47H87NO10P− [M+FA−H]− | 08.62 | 0856.6094 | 856.6073 | 1.4 | 0.008 | 2 | VVs |
| PE(O-16:1/22:4) | C43H77NO7P−[M−H]− | 08.67 | 0750.5451 | 750.5443 | 1.2 | 0.004 | 1 | VVs |
| PE(O-16:1/22:6) | C43H73NO7P−[M−H]− | 06.53 | 0746.5136 | 746.513 | 1.3 | 0.007 | 1 | VVs |
| PI(18:2/18:0) | C45H82O13P−[M−H]− | 06.01 | 0861.5527 | 861.5499 | 1.4 | <0.0001 | 3 | VVs |
| PI(36:1) | C45H84O13P−[M−H]− | 07.40 | 0863.5676 | 863.5655 | 1.4 | 0.001 | 2 | VVs |
| PS(16:0/22:6) | C44H73NO10P−[M−H]− | 04.33 | 0806.4999 | 806.4978 | 1.6 | 0.0005 | 3 | VVs |
| PS(18:0/20:1) | C44H83NO10P−[M−H]− | 10.15 | 0816.5787 | 816.576 | 1.4 | 0.01 | 3 | VVs |
| PS(18:0/20:3) | C44H79NO10P−[M−H]− | 06.72 | 0812.5485 | 812.5447 | 1.4 | 0.004 | 5 | VVs |
| PS(18:0/22:4) | C46H81NO10P−[M−H]− | 07.30 | 0838.5630 | 838.5604 | 1.5 | 0.0006 | 3 | VVs |
| PS(18:0/22:6) | C46H77NO10P−[M−H]− | 05.60 | 0834.5309 | 834.529 | 1.4 | 0.0007 | 2 | VVs |
| SM(d18:2/24:0)* | C47H93N2O6P−[M+FA−H]− | 12.79 | 0858.6876 | 858.6781 | 1.3 | 0.0005 | 11 | VVs |
| SM(d18:2/24:1) | C48H92N2O8P−[M+FA−H]− | 09.89 | 0855.6622 | 855.6597 | 1.4 | <0.0001 | 3 | VVs |
| Uridine | C9H11N2O6−[M−H]− | 00.55 | 0243.0616 | 243.0623 | 1.4 | 0.006 | −3 | VVs |
| UP-LCMS HILIC +/− Analysis (Aqueous extracts) | ||||||||
| Creatine | C4H10N3O2+[M+H]+ | 6.623 | 132.0773 | 132.0767 | 1.3 | <0.0001 | 4.5 | VVs |
| Inosine | C5H5N4O+[M+H]+ | 6.073 | 137.0463 | 137.0457 | 1.3 | 0.007 | 4.3 | VVs |
| PC (16:0/20:4) | C44H81NO8P+[M+H]+ | 4.737 | 782.5684 | 782.5694 | 1.4 | 0.009 | −1.2 | VVs |
| Glutamate | C5H8NO4−[M−H]− | 7.467 | 146.0455 | 146.0458 | 1.5 | <0.0001 | −2 | VVs |
| Inosine | C10H11N4O5−[M−H]− | 3.167 | 267.0729 | 267.0734 | 1.24 | 0.01 | −1.8 | VVs |
| Taurine | C2H6NO3S−[M−H]− | 5.808 | 124.0071 | 124.0073 | 1.17 | 0.07 | −1.6 | VVs |
| Uridine | C9H11N2O6−[M−H]− | 1.517 | 243.0617 | 243.0622 | 1.2 | 0.04 | −2 | VVs |
TG Triglyceride, PC Phosphatidylcholine, SM Sphingomyelin, PE Phosphatidylethanolamine, PS phosphatidylserine, PI phosphatidylinositols
Corrected p-values using Benjamini-Yakutieli multiple testing corrections. *Tentative assignments.