Table 1.
No | m/z | Mode | Identification | Formula | Trend (H-HCA treated/Model) | Trend (Control/Model) | |
---|---|---|---|---|---|---|---|
ESI+ | 1 | 220.3012 | [M+H]+ | Pantothenic Acid | C9H17NO5 | ↑ | ↑ |
2 | 146.0403 | [M+H]+ | Spermidine | C7H19N3 | ↓ | ↓ | |
3 | 157.1602 | [M+H]+ | Tiglylglycine | C7H11NO3 | ↓ | ↓ | |
4 | 190.0861 | [M+H]+ | 3-indole propionic acid | C11H11NO2 | ↑ | ↑ | |
5 | 303.0726 | [M+H]+ | Phenylacetylglutamine | C13H16N2O4 | ↑ | ↑ | |
6 | 230.3007 | [M+H]+ | Dodecanedioic acid | C12H22O4 | ↑ | ↑ | |
7 | 299.1270 | [M+H]+ | Enterolactone | C18H18O4 | ↑ | ↑ | |
8 | 76.0214 | [M+H]+ | glycine | C2H5NO2 | ↑ | ↑ | |
9 | 180.0578 | [M+H]+ | Hippuric acid | C9H9NO3 | ↑ | ↑ | |
10 | 117.0110 | [M+H]+ | fumarate | C4H4O4 | ↓ | ↓ | |
11 | 147.0199 | [M+H]+ | 2-Oxoglutarate | C5H6O5 | ↓ | ↓ | |
12 | 104.0091 | [M+H]+ | serine | C3H7NO3 | ↓ | ↓ | |
13 | 195.0765 | [M+H]+ | Aminohippuric acid | C9H10N2O3 | ↓ | ↓ | |
14 | 177.0624 | [M+H]+ | Allantoate | C4H8N4O4 | ↑ | ↑ | |
15 | 266.1196 | [M+H]+ | Thiamine | C12H17N4OS | ↓ | ↓ | |
16 | 212.0911 | [M+Na]+ | 3-Methoxytyrosine | C10H13NO4 | ↑ | ↑ | |
17 | 104.1063 | [M+Na]+ | Choline | C5H14NO | ↑ | ↑ | |
ESI- | 18 | 124.0079 | [M-H]- | Taurine | C2H7NO3S | ↑ | ↑ |
19 | 196.0680 | [M−H]− | Metanephrine | C10H15NO3 | ↑ | ↑ | |
20 | 136.0760 | [M−H]− | Tyramine | C8H11NO | ↓ | ↓ | |
21 | 169.0491 | [M−H]− | 3,4-Dihydroxyphenylglycol | C8H10O4 | ↑ | ↑ | |
22 | 203.0821 | [M−H]− | Tryptophan | C11H12N2O2 | ↑ | ↑ | |
23 | 123.0431 | [M−H]− | Benzoic acid | C7H6O2 | ↑ | ↑ | |
24 | 164.0559 | [M−H]− | 7-Methylguanine | C6H7N5O | ↑ | ↑ |