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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