Table 2.
Top 10 discriminant features between cholangiocarcinoma cases from Thailand and United Kingdom.
| m/z | RT | Compound | Adduct | Class | VIP | Trend |
|---|---|---|---|---|---|---|
| 152.071 | 2.46 | Paracetamol | M + H | analgesic | 11.3 | UK |
| 140.017 | 2.64 | Paracetamol cysteine | fragment | analgesic metabolite | 10.1 | UK |
| 271.076 | 2.64 | Paracetamol cysteine | M + H | analgesic | 8.7 | UK |
| 208.043 | 2.64 | Paracetamol cysteine | fragment | analgesic metabolite | 8.4 | UK |
| 152.071 | 2.97 | Paracetamol | Isomer | analgesic | 7.3 | UK |
| 396.044 | 3.87 | Ceftriaxone | fragment | antibiotic metabolite | 11.5 | Thai |
| 555.054 | 3.87 | Ceftriaxone | M + H | antibiotic | 11.2 | Thai |
| 332.14 | 4.03 | Ciprofloxacin | M + H | antibiotic | 12.5 | UK |
| 333.146 | 4.03 | Ciprofloxacin | isotope | antibiotic metabolite | 8.4 | UK |
| 443.218 | 5.13 | Metaxolone | 2 M + H | analgesic/muscle relaxant | 9.8 | UK |
| 326.087 | 2.46 | Paracetamol glucuronide | M-H | analgesic | 4.6 | UK |
| 653.182 | 2.46 | Paracetamol glucuronide | 2 M-H | analgesic metabolite | 6.4 | UK |
| 246.007 | 2.53 | Unknown | 6.0 | UK | ||
| 299.035 | 2.91 | Unknown | 4.1 | UK | ||
| 260.022 | 3.06 | Unknown | 7.9 | UK | ||
| 311.07 | 3.53 | Unknown | 5.4 | UK | ||
| 623.147 | 3.53 | Unknown | 5.7 | UK | ||
| 276.001 | 3.66 | Diclofenac/Voltaren | M-H2O-H | NSAID† | 8.3 | UK |
| 410.081 | 4.79 | Sulfociprofloxacin | M-H | antibiotic | 9.6 | UK |
| 246.949 | 5.22 | Unknown | 18.8 | UK |
†Non-steroidal anti-inflammatory drug;
m/z = mass–charge ratio; RT = retention time; VIP = variable importance in projection score.