Below is an example of an ASL-file for leucine, which contains all the essential information about the spectrum. It can be used to simulate the spectrum at any field, with any line-widths and line-shape or to build up models (recipes) for biofluids – see below.
The metabolites are given in order of typical abundances and finding probability (from Bouatra, S. et al. The human urine metabolome. PLoS ONE 8, e73076, 2013):