List of metabolites annotated in untargeted analysis. Identities of compounds were annotated using ECMDB (http://ecmdb.ca/) and METLIN (https://metlin.scripps.edu/) online databases, and were further confirmed by MS/MS. Differences between experimental and actual m/z values were shown as Δppm.
| Compound number | Compound name | m/z | Adduct | Δppm | log2 FC ([Δcrp] vs. [WT]) | p (corr) | log2 FC ([comp.] vs. [WT]) | p (corr) | Retention time (min) |
|---|---|---|---|---|---|---|---|---|---|
| 1 | N-Acetyl-l-glutamate 5-semialdehyde | 174.0761 | [M + H]+ | 0 | 10.79965 | 4.87 × 10−3 | 9.342301 | 5.56 × 10−2 | 10.48 |
| 2 | N-Acetyllactosamine | 384.1500 | [M + H]+ | 0 | 2.263255 | 5.78 × 10−4 | −0.37745 | 7.78 × 10−1 | 5.66 |
| 3 | Diaminopimelic acid | 191.1026 | [M + H]+ | 0 | 1.435697 | 3.90 × 10−4 | −0.06216 | 9.53 × 10−1 | 10.48 |
| 4 | Nicotinate d-ribonucleoside | 256.0816 | [M + H]+ | 0 | 1.400408 | 2.45 × 10−3 | −0.41801 | 7.40 × 10−1 | 8.99 |
| 5 | N2-Succinyl-l-ornithine | 233.1132 | [M + H]+ | 0 | 1.220208 | 3.90 × 10−4 | −0.37384 | 7.46 × 10−1 | 9.41 |
| 6 | N1-Methyladenine | 150.0774 | [M + H]+ | 3 | 1.108941 | 2.81 × 10−3 | 0.287358 | 7.46 × 10−1 | 10.54 |
| 7 | 4-Methylene-l-glutamine | 159.0765 | [M + H]+ | 0 | 1.107723 | 6.76 × 10−4 | −0.44266 | 7.40 × 10−1 | 10.99 |
| 8 | Citrulline | 176.1030 | [M + H]+ | 0 | 0.916007 | 1.79 × 10−3 | −0.49898 | 7.40 × 10−1 | 10.95 |
| 9 | N-Acetylleucine | 174.1125 | [M + H]+ | 0 | −1.47388 | 1.43 × 10−2 | 0.497911 | 7.40 × 10−1 | 1.23 |
| 10 | Malate | 133.0142 | [M + H]− | 0 | 1.117916 | 1.33 × 10−2 | −0.8483 | 1.08 × 10−1 | 1.14 |
| 11 | Ornithine | 131.0827 | [M + H]− | 2 | 0.882035 | 2.59 × 10−2 | −0.50823 | 2.12 × 10−1 | 10.94 |
| 12 | 2,3-Dihydro-2,3-dihydroxybenzoic acid | 155.0350 | [M + H]− | 0 | −1.44515 | 2.26 × 10−2 | 0.762619 | 2.14 × 10−1 | 8.25 |