TABLE 3.
List of metabolites in AC vs. OC.
| Mode | Metabolite | ID | MW | RT | FC |
|---|---|---|---|---|---|
| + | 2,4-Dihydroxybenzophenone | mzc604 | 0.547 | 75 | −1.44 |
| + | 2,6-Dimethylpyrazine/2,5-Dimethylpyrazine | HMDB0035248/HMDB0035289 | 0.494 | 73.8 | −1.46 |
| + | 2-Amino-4-methylpyrimidine | mzc3275 | 0.488 | 80.6 | −1.63 |
| + | 2-Hydroxycinnamic acid/4-Hydroxycinnamic acid | HMDB0002641/HMDB0002035 | 1.255 | 87.9 | −2.39 |
| + | 3-Methylhistidine | HMDB0000479 | 0.494 | 95.9 | −1.46 (−1.63) |
| + | 4-Hydroxybenzaldehyde | HMDB0011718 | 1.255 | 70.3 | −2.30 |
| + | Acetylcholine | HMDB0000895 | 0.655 | 89.5 | −1.27 |
| + | Arginine | HMDB0003416/HMDB0000517 | 0.486 | 94 | −2.72 (−2.60) |
| + | Aspartic acid | HMDB0000191/HMDB0006483 | 0.503 | 87.7 | −3.96 (−3.52) |
| + | Carnosine | HMDB0000033 | 0.485 | 92.9 | −1.24 |
| + | Citicoline | HMDB0001413 | 0.627 | 85.2 | −1.48 |
| + | Creatine | HMDB0000064 | 0.565 | 96.1 | −1.17 |
| + | Creatinine | HMDB0000562 | 0.537 | 93.1 | −1.28 |
| + | Cytidine | HMDB0000089 | 0.725 | 88.8 | −2.05 |
| + | Cytosine | HMDB0000630 | 0.722 | 93 | −2.44 |
| + | Decanoylcarnitine | HMDB0000651 | 8.324 | 83 | +5.53 |
| + | Glutamic acid/Glutamic acid | HMDB0000148/HMDB0003339 | 0.517 | 94.8 | −1.90 |
| + | Histidine | HMDB0000177 | 0.487 | 94.9 | −1.62 (−1.92) |
| + | Hypoxanthine | HMDB0000157 | 1.061 | 95.5 | −2.44 (−2.96) |
| + | Indoleacrylic acid | HMDB0000734 | 3.727 | 92.6 | −2.51 |
| + | Inosine | HMDB0000195 | 2.32 | 72 | −1.69 |
| + | Leucine/Isoleucine/Norleucine | HMDB0013773/HMDB0000687/HMDB0000172/HMDB0001645 | 1.393 | 94.6 | −3.41 |
| + | Leucyl-Glycine | HMDB0028929 | 3.148 | 91.7 | −4.65 |
| + | Lysine | HMDB0003405/HMDB0000182 | 0.425 | 94.2 | −2.58 |
| + | Methionine | HMDB0000696 | 0.833 | 89 | −2.82 |
| + | N6-Me-Adenosine | mzc10245 | 1.018 | 71.7 | −1.88 |
| + | N-Acetylornithine | HMDB0003357 | 0.635 | 76 | −1.30 |
| + | Nicotinamide adenine dinucleotide | HMDB0000902 | 1.151 | 91.2 | +12.81 |
| + | Phenylalanine | HMDB0000159/METPA0264 | 2.956 | 95.3 | −3.00 (−3.02) |
| + | Prolylleucine | mzc559 | 1.275 | 85.5 | +3.17 |
| + | Pyroglutamic acid | HMDB0000267 | 1.087 | 82.2 | +1.48 |
| + | Tryptophan | HMDB0013609/HMDB0000929 | 3.732 | 95.5 | −2.51 (−2.62) |
| + | Tyrosine | HMDB0000158/HMDB0006050 | 1.17 | 87.3 | −2.33 (−2.29) |
| + | Uric acid | HMDB0000289 | 0.955 | 87 | −3.26 (−3.53) |
| + | Valine | HMDB0000883 | 0.732 | 90 | −1.87 |
| + | Valyl-Proline | HMDB0029135 | 3.09 | 96.1 | −4.18 |
| + | Xylazine | HMDB0259938 | 5.268 | 93.6 | +9.76 |
| − | 3-Phosphoglyceric acid | HMDB0000807 | 185.99215 | 0.524 | +11.06 |
| − | Anserine | HMDB0000194 | 240.12177 | 0.487 | −1.30 |
| − | Glutamine | HMDB0003423/HMDB0000641 | 146.06811 | 0.499 | +1.70 |
| − | Glutathione | HMDB0062697 | 307.08357 | 0.88 | −4.21 |
| − | Glyceric acid | HMDB0000139 | 106.02556 | 0.596 | −3.42 |
| − | Glycerol 3-phosphate | HMDB0000126 | 172.01282 | 0.522 | +35.38 |
| − | Malic acid | HMDB0031518/HMDB0000156 | 134.02045 | 0.668 | −1.47 |
| − | Mannose 6-phosphate/Fructose 1-phosphate/Beta-D-Fructose 6-phosphate/Glucose 1-phosphate/ | HMDB0001078/HMDB0001076/HMDB0003971/HMDB0001586/HMDB0001401 | 260.02945 | 0.517 | +11.41 |
| − | N-Acetylneuraminic acid | HMDB0000230 | 309.10575 | 0.587 | −2.13 |
| − | Pantothenic acid | HMDB0000210 | 219.11018 | 3.474 | −1.90 |
| − | Ribose 1-phosphate/Ribose 5-phosphate/Xylulose 5-phosphate/Ribulose 5-phosphate | HMDB0001489/HMDB0001548/HMDB0000868/METPA0382/HMDB0000618/METPA0129 | 230.01865 | 0.53 | −1.65 |
| − | S-Lactoylglutathione | HMDB0001066 | 379.10454 | 1.988 | −2.06 |
| − | Taurine | HMDB0000251 | 125.01358 | 0.504 | −1.19 |
| − | Uridine | HMDB0000296 | 244.06927 | 1.374 | −1.66 |
| − | Xanthine | HMDB0000292 | 152.03248 | 1.262 | −4.02 |
| − | Xanthosine | HMDB0000299 | 284.07556 | 3.058 | −3.18 |
AC, as denominator.
FC: positive mode (negative mode).
Potential metabolite identified by cross referencing with mzCloud data (^).
Symbol: (+) increase; (-) decrease.
Acronym: FC (fold change); m/w (molecular weight); RT (retention time).