Table 1.
Identified MFs
| MF # | Mass | RT | Metabolite ID | Method of ID |
|---|---|---|---|---|
| 2 | 129.0429 | 1.37 | 5-oxo-L-proline | MS and RT alignment with 5-oxo- proline standard |
| 53 | 465.31 | 14.72 | Glycocholic acid | MS/MS and RT alignment with glycocholic acid standard |
| 66 | 449.313 | 16.00 | Glycodeoxycholic acid | MS/MS and RT alignment with glycodeoxycholic standard |
| 106 | 523.365 | 19.17 | 2-octadecanoyl-sn-glycero-3- phosphocholine (lysoPC (18:0)) | MS/MS and RT alignment with lysoPC standard mixture |
| 134 | 702.566 | 22.87 | Sphingomyelin (d18:1/16:0) | MS/MS and RT alignment with sphingomyelin mixture |
| 189 | 271.251 | 16.04 | Sphingosine (d16:1) | MS/MS diagnostic ions |
| 253 | 523.365 | 19.22 | 1-octadecanoyl-sn-glycero-3- phosphocholine (lysoPC (18:0)) | MS/MS and RT alignment with lysoPC standard mixture |
| 923 | 551.395 | 20.24 | 1-eicosanoyl-sn-glycero-3- phosphocholine (lysoPC (20:0)) | MS/MS and RT alignment with lysoPC standard mixture |
| 996 | 287.209 | 13.56 | Octanoylcarnitine | MS/MS and RT alignment with Octanoylcarnitine standard |
| 1006 | 315.24 | 15.01 | Decanoylcarnitine | MS/MS diagnostic ion |
| 1086 | 217.130 | 1.51 | Propionylcarnitine | MS/MS diagnostic ion |
| 1182 | 259.178 | 11.33 | Hexanoylcarnitine | MS/MS diagnostic ion |
| 1241 | 334.213 | 16.84 | 12-oxo-leukotriene b4 | MS/MS and RT alignment with 12-oxo-leukotriene b4 standard |
| 1264 | 509.386 | 19.51 | 1-octadecylglycero-3- Phosphocholine (lyso-PAF (C18)) | MS/MS and RT alignment with 1- octadecylglycero-3- Phosphocholine standard |
| 1269 | 304.239 | 20.57 | Arachidonic acid | MS/MS and RT alignment with Arachidonic acid standard |
| 1460 | 203.114 | 1.19 | Acetylcarnitine | MS/MS and RT alignment with Acetylcarnitine standard |
| 1601 | 449.314 | 14.75 | Glycoursodeoxycholic acid | MS/MS and RT alignment with glycoursodeoxycholic acid standard |
| 1780 | 499.297 | 15.16 | Taurodeoxycholic acid | MS/MS and RT alignment with taurodeoxycholic acid standard |
| 1823 | 278.226 | 18.49 | Polyunsaturated fatty acid (PUFA) | MS/MS spectra similar to γ - linoleic acid |
| 1827 | 415.308 | 17.39 | glycolithocholic acid | MS/MS and RT alignment with glycolithocholic acid standard |
| 1841 | 320.473 | 19.31 | hydroxyeicosatetraenoic acid (HETE) | MS/MS and RT similar to hydroxyeicosatetraenoic acid (HETE) standards |
| 2237 | 551.395 | 20.13 | 2-eicosanoyl-sn-glycero-3- phosphocholine (lysoPC (20:0)) | MS/MS and RT alignment with lysoPC standard mixture |
| 2298 | 334.214 | 15.94 | Prostaglandin B2 | MS/MS and RT alignment with Prostaglandin B2 standard |