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. Author manuscript; available in PMC: 2013 Aug 19.
Published in final edited form as: Analyst. 2011 Sep 16;136(22):4752–4763. doi: 10.1039/c1an15590c

Table 2. Summary of differentiated metabolites.

# parent ions Retention time (min) VIP formula metabolite ID metabolic Pathway HMDB ID PubChem ID KEGG ID p value1 trends2
1 307.18 12.67 15.42 C6H14O10P2 diphosphomevalonate terpenoid backbone biosynthesis HMDB01090 516 C01143 <0.05 increase
2 539.28 19.83 10.97 C27H40O11 tetrahydroaldosterone-3-glucuronide pentose and glucuronate interconversions & Starch and sucrose metabolism HMDB10357 167918 C03033 <0.05 decrease
3 331.19 21.46 9.57 C21H32O3 21-hydroxypregnenolone steroid hormone biosynthesis HMDB04026 440705 C05485 <0.05 increase
4 308.16 12.67 9.25 C11H19NO9 N-acetylneuraminic acid amino sugar and nucleotide sugar metabolism HMDB00230 439197 C00270 <0.05 increase
5 526.45 24.84 9.14 C16H25N4O10P2S 3-carboxy-1-hydroxypropyl-ThPP citrate cycle (TCA cycle) HMDB06744 440649 C05381 <0.05 decrease
6 525.43 19.45 8.28 C24H40N5O8 desmosine amino acids and amino acid conjugates metabolism HMDB00572 25435 - <0.05 increase
7 495.26 26.45 7.67 C27H44O8 pregnanediol-3-glucuronide pentose and glucuronate interconversions & starch and sucrose metabolism HMDB10318 123796 C03033 <0.05 decrease
8 369.18 26.79 7.57 C20H34O6 6-keto-prostaglandin F1a arachidonic acid metabolism HMDB02886 5280888 C05961 <0.05 increase
9 541.31 17.94 5.73 C27H42O11 cortolone-3-glucuronide pentose and glucuronate interconversions & starch and sucrose metabolism HMDB10320 125853 C03033 <0.05 decrease
1

It is considered as significant difference in this study when P value is less than 0.05

2

Urinary level in patients with UTI when comparing with controls.