Table III. Potential urine biomarkers for BC.
| NO. | m/z | Metabolite | Element composition | Column | Peak area ratio (B/N) | AUCa | VIP valuea | p valuea | Trend | %RSDb (RP & HILIC) |
|---|---|---|---|---|---|---|---|---|---|---|
| 1 | 318.30 | Component I | C18H39NO3 | RP&HILIC | 2.81 | 0.900 | 3.73 | 2.88E-07 | ↑ | 6.3 and 13.8 |
| 2 | 300.20 | Carnitine C9:1 | C16H29NO4 | RPLC | 0.39 | 0.881 | 10.52 | 3.00E-04 | ↓ | 10.2 |
| 3 | 180.07 | Hippuric acid | C9H9NO3 | RP & HILIC | 0.18 | 0.867 | 11.46 | 6.70E-05 | ↓ | 4.9 and 22.1 |
| 4 | 105.03 | Fragment of hippuric acid | C9H9NO3 | RP & HILIC | 0.27 | 0.852 | 8.24 | 1.48E-06 | ↓ | 4.6 and 28.2 |
| 5 | 326.19 | Unidentified | unidentified | RPLC | 1.17 | 0.834 | 6.11 | 2.67E-06 | ↑ | 5.5 |
| 6 | 138.07 | Trigonelline | C7H7NO2 | HILIC | 0.34 | 0.808 | 3.21 | 4.44E-04 | ↓ | 12.4 |
| 7 | 302.23 | 2, 6-Dimethylheptanoyl carnitine | C16H31NO4 | HILIC | 0.48 | 0.796 | 9.98 | 7.56E-05 | ↓ | 8.5 |
| 8 | 314.23 | Carnitine C10:1 | C17H31NO4 | RPLC | 0.48 | 0.785 | 4.07 | 8.62E-04 | ↓ | 10.7 |
| 9 | 265.12 | PAGN | C13H16N2O4 | RP & HILIC | 0.45 | 0.774 | 16.18 | 9.13E-04 | ↓ | 8.4 and 21.3 |
| 10 | 286.19 | Carnitine C8:1 | C15H27NO4 | RP & HILIC | 0.49 | 0.723 | 4.41 | 9.51E-04 | ↓ | 5.2 and 10.8 |
| 11 | 229.16 | Leucylproline | C11H20N2O3 | RP & HILIC | 0.80 | 0.711 | 8.72 | 5.31E-05 | ↓ | 10.9 and 6.0 |
| 12 | 185.08 | Phosphorylcholine | C5H15NO4P | HILIC | 0.41 | 0.647 | 7.34 | 9.40E-04 | ↓ | 14.1 |
| 13 | 126.01 | Fragment of phosphorylcholine | C5H15NO4P | HILIC | 0.34 | 0.608 | 6.18 | 1.79E-04 | ↓ | 10.1 |
| 14 | 204.14 | Acetylcarinitine | C9H17NO4 | HILIC | 2.16 | 0.598 | 6.27 | 1.06E-05 | ↑ | 14.7 |
a Data given from the column with smaller RSD.
b RSD of peak areas derived from the QCs.