Table 1.
No. | Time (h) | Metabolites | Formula | M/Z | Mr | HMDB | PubChem | KEGG |
---|---|---|---|---|---|---|---|---|
1 | 2 | 1-Methylnicotinamide | C7H9N2O | 137.07 | 137.1 | HMDB0000699 | 457 | C02918 |
2 | 2 | Pantothenate | C9H17NO5 | 218.1035 | 219.2 | HMDB0000210 | 988 | C00864 |
3 | 2 | Sorbitol | C6H14O6 | 181.0722 | 182.1 | HMDB0000247 | 5780 | C00794 |
4 | 2 | L-Glutamine | C5H10N2O3 | 147.0754 | 146.1 | HMDB0000641 | 5961 | C00064 |
5 | 2 | S-Methyl-5’-thioadenosine | C11H15N5O3S | 298.0959 | 297.3 | HMDB0001173 | 439176 | C00170 |
6 | Oxidized glutathione | C20H32N6O12S2 | 613.1575 | 612.6 | HMDB0003337 | 975 | C00127 | |
7 | 2 | LysoPC (18:1(9Z)) | C26H52NO7P | 522.3537 | 521.7 | HMDB0002815 | 16081932 | C04230 |
8 | 2 | Taurine | C2H7NO3S | 126.0208 | 125.1 | HMDB0000251 | 1123 | C00245 |
9 | 2 | Phosphorylcholine | C5H15NO4P | 184.0724 | 184.2 | HMDB0001565 | 1014 | C00588 |
10 | 2 | Uridine diphosphate-N-acetylglucosamine | C17H27N3O17P2 | 608.087 | 607.4 | HMDB0000290 | 445675 | C00043 |
11 | 2 | LysoPC (16:0) | C24H50NO7P | 496.3379 | 495.6 | HMDB0010382 | 460602 | C04230 |
12 | 2 | L-Glutamic acid | C5H9NO4 | 148.0596 | 147.1 | HMDB0000148 | 33032 | C00025 |
13 | 2 | Pyroglutamic acid | C5H7NO3 | 130.0488 | 129.1 | HMDB0000267 | 7405 | C01879 |
14 | 2 | Niacinamide (Niacinamide) | C6H6N2O | 123.0541 | 122.1 | HMDB0001406 | 936 | C00153 |
15 | 2 | Adenosine monophosphate (AMP) | C10H14N5O7P | 348.0695 | 347.2 | HMDB0000045 | 6083 | C00020 |
16 | 2 | Inosine | C10H12N4O5 | 269.0871 | 268.2 | HMDB0000195 | 6021 | C00294 |
17 | 2 | Hypoxanthine | C5H4N4O | 137.0446 | 136.1 | HMDB0000157 | 790 | C00262 |
18 | 2 | Adenine | C5H5N5 | 136.0609 | 135.1 | HMDB0000034 | 190 | C00147 |
19 | 2 | Erucamide | C18H19NO4 | 338.3408 | 313.3 | HMDB0029365 | 5280537 | C02717 |
20 | 2 | Prostaglandin H2 | C20H32O5 | 351.2177 | 352.5 | HMDB0001381 | 445049 | C00427 |
21 | 2 | Oxoadipic acid | C6H8O5 | 141.0171 | 160.1 | HMDB0000225 | 71 | C00322 |
22 | 2 | D-Mannose | C6H12O6 | 179.0562 | 180.1 | HMDB0000169 | 18950 | C00159 |
23 | 2 | PG (16:0/18:1(9Z)) | C40H77O10P | 747.5194 | 749.0 | HMDB0010574 | 52941750 | / |
24 | 2 | Pentadecanoic acid | C15H30O2 | 241.2175 | 242.4 | HMDB0000826 | 13849 | C16537 |
25 | 5 | Uridine | C9H12N2O6 | 245.0758 | 244.2 | HMDB0000296 | 6029 | C00299 |
26 | 5 | L-Carnitine | C7H15NO3 | 162.1115 | 161.2 | HMDB0000062 | 2724480 | C00318 |
27 | 5 | Deoxyadenosine | C10H13N5O3 | 252.1082 | 251.2 | HMDB0000101 | 13730 | C00559 |
28 | 5 | PC (16:0/16:0) | C40H80NO8P | 778.536 | 734.0 | HMDB0000564 | 452110 | C00157 |
29 | 5 | 2-Hydroxyadenine | C5H5N5O | 152.0557 | 151.1 | HMDB0000403 | 76900 | / |
30 | 5 | Uracil | C4H4N2O2 | 111.0198 | 112.1 | HMDB0000300 | 1174 | C00106 |
31 | 5 | MG (0:0/16:0/0:0) | C19H38O4 | 331.2837 | 330.5 | HMDB0011533 | 123409 | / |
32 | 5 | Adenosine | C10H13N5O4 | 268.1033 | 267.2 | HMDB0000050 | 60961 | C00212 |
33 | 5 | D-Proline | C5H9NO2 | 116.0694 | 115.1 | HMDB0003411 | 8988 | C00763 |
34 | 5 | Nicotinate (Nicotinic acid) | C6H5NO2 | 124.0383 | 123.1 | HMDB0001488 | 938 | C00253 |
35 | 5 | PC (18:0/18:1(9Z)) (SOPC) | C44H86NO8P | 832.582 | 788.1 | HMDB0008038 | 24778825 | C00157 |
36 | 5 | L-Acetylcarnitine | C9H17NO4 | 204.1221 | 203.2 | HMDB0000201 | 1 | C02571 |
37 | 5 | Cytidine | C9H13N3O5 | 244.0919 | 243.2 | HMDB0000089 | 6175 | C00475 |
38 | 5 | Cytosine | C4H5N3O | 112.0494 | 111.1 | HMDB0000630 | 597 | C00380 |
39 | 5 | Guanosine | C10H13N5O5 | 284.098 | 283.2 | HMDB0000133 | 6802 | C00387 |
40 | 5 | Betaine | C5H11NO2 | 118.0852 | 117.1 | HMDB0000043 | 247 | C00719 |
41 | 8 | Acetylcholine | C7H16NO2 | 146.1164 | 146.2 | HMDB0000895 | 187 | C01996 |
42 | 8 | 2-Ethoxyethanol | C4H10O2 | 151.0955 | 90.1 | HMDB0031213 | 8076 | C14687 |
43 | 8 | Palmitoleic acid | C16H30O2 | 253.2176 | 254.4 | HMDB0003229 | 445638 | C08362 |
44 | 8 | Oleic acid | C18H34O2 | 281.2488 | 282.5 | HMDB0000207 | 445639 | C00712 |
45 | 8 | Arachidonic acid | C20H32O2 | 303.2332 | 304.5 | HMDB0001043 | 444899 | C00219 |
46 | 8 | Myristic acid | C14H28O2 | 227.2022 | 228.4 | HMDB0000806 | 11005 | C06424 |
47 | 8 | Heptadecanoic acid | C17H34O2 | 269.2486 | 270.5 | HMDB0002259 | 10465 | / |
48 | 8 | Nervonic acid | C24H46O2 | 365.3424 | 366.6 | HMDB0002368 | 5281120 | C08323 |
49 | 8 | Palmitic acid | C16H32O2 | 255.2333 | 256.4 | HMDB0000220 | 985 | C00249 |
50 | 8 | Acamprosate | C5H11NO4S | 180.0335 | 181.2 | HMDB0014797 | 71158 | / |