From: Performance of variable selection methods using stability-based selection
Metabolite species | Concentration range (μM) | Injection amount range (ng) | GOLM database | Measured parameters | |||
---|---|---|---|---|---|---|---|
RIa | Select m/z ions | Mean RI | m/z ions | RSDa (%) | |||
Solution 1 | |||||||
Glycine (3TMS)a | 200–300 | 0.6–3.7 | 1302.7 | 174|248|276|100|86 | 1305.7 | 174|248|147 | 101 |
Serine (3TMS) | 100–150 | 0.4–2.6 | 1352.8 | 204|218|278|306|100 | 1357.9 | 204|218|147 | 106 |
Threonine (3TMS) | 80–120 | 0.4–2.4 | 1377.2 | 219|291|218|117|320 | 1382.9 | 291|218|117 | 122 |
Aspartic acid (3TMS) | 26.5–41 | 0.1–0.8 | 1511.2 | 232|218|306|202|334 | 1512.7 | 232|218|100 | 70 |
Solution 2 | |||||||
Alanine (2TMS) | 187 | 0.6–3.7 | 1108.6 | 116|190|218|100|233 | 1098.9 | 116|204|118 | 100 |
Valine (2TMS) | 50–300 | 0.5–2.9 | 1207.1 | 144|218|156|246|100 | 1209.9 | 144|218|72 | 116 |
Lysine (4TMS) | 33–200 | 0.4–2.4 | 1881.2 | 156|174|317|230|434 | 1915.1 | 156|174|317 | 94 |
Pyroglutamic acid (2TMS) | 8–50 | 0.1–0.5 | 1650.4 | 156|258|230|140|273 | 1516.6 | 156|258|147 | 20 |