The Human Metabolome DataBase multiplet table
Examples
# Get all the 1-Methylhistidine peaks:
data("hmdb")
hmdb[hmdb$Metabolite == "1-Methylhistidine", ]
#> # A tibble: 4 × 12
#> Metabolite pos_in_ppm couple_code J_constant relative_intensity Accession
#> <chr> <dbl> <chr> <chr> <dbl> <chr>
#> 1 1-Methylhistid… 7.67 0 NA 1 HMDB0000…
#> 2 1-Methylhistid… 7 0 NA 1 HMDB0000…
#> 3 1-Methylhistid… 3.96 1,1 7.66,4.92 2 HMDB0000…
#> 4 1-Methylhistid… 3.68 0 NA 4 HMDB0000…
#> # ℹ 6 more variables: Blood <lgl>, Urine <lgl>, Solvent <chr>,
#> # ChemShiftRef <chr>, NMRFreq <dbl>, pH <chr>