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. Author manuscript; available in PMC: 2014 Oct 15.
Published in final edited form as: Chemometr Intell Lab Syst. 2013 Jul 27;128:9–16. doi: 10.1016/j.chemolab.2013.07.007

Table 1.

Composition of five synthetic urine samples.

Sample #1 Sample #2 Sample #3 Sample #4 Sample #5
Compon
ents
[X] in
µM
Compon
ents
[X] in
µM
Compon
ents
[X] in
µM
Compon
ents
[X] in
µM
Compon
ents
[X] in
µM
3 164 22 404 1 141 5 440 2 330
5 317 7 674 2 214 6 * 3 257
7 547 8 84 4 1088 7 390 5 669
10 443 9 405 12 286 16 565 8 184
35 266 11 241 15 343 14 287 35 510
11 261 15 121 17 360 24 411 11 375
13 485 20 548 20 582 21 1095 17 411
16 437 28 346 28 436 26 783 18 110
18 61 29 323 31 211 30 503 20 1062
19 138 33 165 36 650 23 416
23 256 37 116 25 157
25 143 27 754
27 507 28 296
29 331 29 380
32 63 30 512
33 225 31 390
34 221 33 203

1) 2-hydroxycinnamic acid; 2) 4,4’-dimethylbenzophenone; 3) 4-androstene-3,17-dione; 4) acetamide; 5) adipic acid; 6) agarose; 7) benzoic acid; 8) biotin; 9) camphor; 10) cis-1,2-cyclohexanediol; 11) citric acid; 12) d-3-phenyllactic acid; 13) d-galactose; 14) DL-4-fluorophenylalanice; 15) d-mannose; 16) d-ribose; 17) d-xylose; 18) erythromycin; 19) fumaric acid monoethyl ester; 20) glycine; 21) imidazole; 22) l-alanine; 23) l-ascorbic acid; 24)l-glutamic acid; 25) lithocholic acid; 26) l-serine; 27) malonic acid; 28) menthol; 29) n-acetyl-l-valine; 30) p-dimethoxybenzene; 31) phenylphosphonic acid; 32) quinine; 33) sucrose; 34) trans-1,2-cyclohexanediol; 35) trans-aconitic acid; 36) trimethylamine-N-oxide; 37) uridine

*

Concentration for agarose could not be computed due to the varying sizes of agarose present in the stock compound