Table A1.
Multiple reaction monitoring (MRM) transitions for 42 amino acids and related metabolitesanalyzed using LC-MS/MS-base methodology and their corresponding internal standards with the applied collision energy values and limit of quantitation values achieved by the methodology used.
| No | Amino Acid | Abbrev. | MRM Transition (Q1 → Q3) | Collision Energy (eV) | Limit of Quantitation (μmol∙L−1) | |
|---|---|---|---|---|---|---|
| Analyte | Internal Std. | |||||
| 1 | 1-methylhistidine | 1MHis | 318.2 → 121.1 | 310.2 → 113.1 | 30 | 0.2 |
| 2 | 3-methylhistidine | 3MHis | 318.2 → 121.1 | 310.2 → 113.1 | 30 | 0.2 |
| 3 | alanine | Ala | 238.2 → 121.1 | 230.2 → 113.1 | 30 | 0.2 |
| 4 | anserine | Ans | 389.2 → 121.1 | 381.2 → 113.1 | 30 | 0.5 |
| 5 | arginine | Arg | 323.2 → 121.1 | 315.2 → 113.1 | 30 | 0.5 |
| 6 | argininosuccinic acid | Asa | 439.2 → 121.1 | 431.2 → 113.1 | 50 | 1.0 |
| 7 | asparagine | Asn | 281.2 → 121.1 | 273.2 → 113.1 | 30 | 0.5 |
| 8 | aspartic acid | Asp | 282.1 → 121.1 | 274.1 → 113.1 | 30 | 0.1 |
| 9 | carnosine | Car | 375.2 → 121.1 | 367.2 → 113.1 | 30 | 0.5 |
| 10 | citrulline | Cit | 324.2 → 121.1 | 316.2 → 113.1 | 30 | 0.5 |
| 11 | cystathionine | Cth | 519.3 → 121.1 | 503.3 → 113.1 | 50 | 0.5 |
| 12 | cystine | Cys | 537.2 → 121.1 | 521.2 → 113.1 | 50 | 1.0 |
| 13 | ethanolamine | EtN | 210.2 → 121.1 | 202.2 → 113.1 | 30 | 0.5 |
| 14 | glutamic acid | Glu | 296.2 → 121.1 | 288.2 → 113.1 | 30 | 0.5 |
| 15 | glutamine | Gln | 295.2 → 121.1 | 287.2 → 113.1 | 30 | 0.5 |
| 16 | glycine | Gly | 224.1 → 121.1 | 216.1 → 113.1 | 30 | 1.0 |
| 17 | histidine | His | 304.2 → 121.1 | 296.2 → 113.1 | 30 | 0.5 |
| 18 | homocitrulline | Hcit | 338.2 → 121.1 | 330.2 → 113.1 | 30 | 0.2 |
| 19 | homocystine | Hcy | 565.3 → 121.1 | 549.3 → 113.1 | 50 | 0.5 |
| 20 | hydroxyproline | Hyp | 280.1 → 121.1 | 272.1 → 113.1 | 30 | 0.2 |
| 21 | isoleucine | Ile | 280.2 → 121.1 | 272.2 → 113.1 | 30 | 0.5 |
| 22 | leucine | Leu | 280.2 → 121.1 | 272.2 → 113.1 | 30 | 0.5 |
| 23 | lysine | Lys | 443.3 → 121.1 | 427.3 → 113.1 | 50 | 0.5 |
| 24 | methionine | Met | 298.2 → 121.1 | 290.2 → 113.1 | 30 | 0.1 |
| 25 | ornithine | Orn | 429.3 → 121.1 | 413.3 → 113.1 | 50 | 0.5 |
| 26 | phenylalanine | Phe | 314.2 → 121.1 | 306.2 → 113.1 | 30 | 0.2 |
| 27 | phosphoethanolamine | PEtN | 290.1 → 121.1 | 282.1 → 113.1 | 30 | 0.5 |
| 28 | phosphoserine | PSer | 334.1 → 121.1 | 326.1 → 113.1 | 30 | 0.5 |
| 29 | proline | Pro | 264.2 → 121.1 | 256.2 → 113.1 | 30 | 0.1 |
| 30 | sarcosine | Sar | 238.2 → 121.1 | 230.2 → 113.1 | 30 | 0.2 |
| 31 | serine | Ser | 254.2 → 121.1 | 246.2 → 113.1 | 30 | 0.5 |
| 32 | taurine | Tau | 274.1 → 121.1 | 266.1 → 113.1 | 30 | 0.5 |
| 33 | threonine | Thr | 268.2 → 121.1 | 260.2 → 113.1 | 30 | 0.2 |
| 34 | tryptophan | Trp | 353.2 → 121.1 | 345.2 → 113.1 | 30 | 0.1 |
| 35 | tyrosine | Tyr | 330.2 → 121.1 | 322.2 → 113.1 | 30 | 0.5 |
| 36 | valine | Val | 266.2 → 121.1 | 258.2 → 113.1 | 30 | 0.2 |
| 37 | α-aminoadipic acid | Aad | 310.2 → 121.1 | 302.2 → 113.1 | 30 | 0.2 |
| 38 | α-amino-n-butyric acid | Abu | 252.2 → 121.1 | 244.2 → 113.1 | 30 | 0.2 |
| 39 | β-alanine | bAla | 238.2 → 121.1 | 230.2 → 113.1 | 30 | 0.5 |
| 40 | β-aminoisobutyric acid | bAib | 252.2 → 121.1 | 244.2 → 113.1 | 30 | 0.2 |
| 41 | γ-amino-n-butyric acid | GABA | 252.2 → 121.1 | 244.2 → 113.1 | 30 | 0.05 |
| 42 | δ-hydroxylysine | Hyl | 459.3 → 121.1 | 443.3 → 113.1 | 50 | 0.5 |