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Table 3 List of 17 analytes in the package’s embeded data set

From: SIMAT: GC-SIM-MS data analysis tool

Analyte QF QL 1 QL 2 QL 3 RI
epsilon-caprolactam 56 98 170 171 703.8
norvaline 72 73 74 75 791.7
valine 144 73 147 218 897.5
urea 189 66 74 190 920.2
phosphoric acid 300 211 73 314 954.8
proline 59 142 143 216 978.5
threonine 117 218 219 291 1061.8
trans–hydroxy-L-proline 230 231 304 147 1134.2
aspartic acid 188 202 218 232 1191.3
phenylalanine 91 120 130 146 1223.4
glutamic acid d5 132 147 251 252 1289
glutamic acid 128 156 246 247 1292.1
lauric acid 257 129 132 57 1326.6
arabitol 217 205 117 319 1389.4
sorbose 103 217 218 307 1549.7
linoleic acid 67 75 81 337 1880.7
arachidic acid 117 129 132 145 2103.9
  1. QF: quantifier, QL: qualifier, RI: retention index (FAME)