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Table 1 Reference and measured identification parameters for spiked metabolites, with range of serum concentrations and injected amounts over the dilutional series

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
  1. a RI Retention index, RSD relative standard deviation, TMS trimethylsilyl groups