Table 2 Characteristics of the metabolic biomarkers of women with PCOS in follicular fluid using UPLC-Q-TOF MS
Metabolites | TR (min) | Error (ppm) | Parent ion (m/z) | Molecular Formula | Product ion (m/z) | Identity (PCOS group vs Control group) | t-test (p value) |
|---|---|---|---|---|---|---|---|
M1 | 5.56 | −2.6 | 331.2247 | C21H30O3 | 313.2114; 271.2037; 177.1229; 123.0785; 109.0641; 97.0657 | Deoxycorticosterone | 0.02 |
M2 | 4.84 | −3.6 | 468.3068 | C22H46NO7P | 450.2971; 285.2384; 184.0727; 124.9999; 104.1078; 86.0955 | LysoPC (14:0) | 0.03 |
M3 | 5.72 | 3.7 | 496.3416 | C24H50NO7P | 313.2724; 184.0743; 125.0000; 104.1088; 86.0981 | LysoPC (16:0) | 0.02 |
M4 | 6.51 | −1.7 | 524.3702 | C26H54NO7P | 506.3571; 341.3052; 184.0738; 125.0003; 104.1085; 86.0996 | LysoPC (18:0) | 0.01 |
M5 | 4.77 | −2.4 | 318.2995 | C18H39NO3 | 300.2859; 256.2627; 88.0777 | Phytosphingosine | 0.008 |
M6 | 6.85 | −0.9 | 318.2272 | C16H31NO5 | 300.2186; 274.2398; 160.0965 | 3-Hydroxynonanoyl carnitine | 0.007 |
M7 | 2.88 | 3.3 | 166.0868 | C9H11NO2 | 120.0808; 103.0544; 91.0563; 77.0394 | Phenylalanine | 0.02 |
M8 | 2.54 | 3.7 | 132.1024 | C6H13NO2 | 86.0982; 69.0721 | Leucine | 0.02 |
M9 | 8.38 | −3.0 | 301.2164 | C20H30O2 | 257.1133; 59.0115 | Eicosapentaenoic acid | 0.009 |