The Human Metabolome DataBase multiplet table

The Human Metabolome DataBase multiplet table

References

https://hmdb.ca/

Examples

# Get all the 1-Methylhistidine peaks:
data("hmdb")
hmdb[hmdb$Metabolite == "1-Methylhistidine", ]
#> # A tibble: 4 × 12
#>   Metabolite pos_i…¹ coupl…² J_con…³ relat…⁴ Acces…⁵ Blood Urine Solvent ChemS…⁶
#>   <chr>        <dbl> <chr>   <chr>     <dbl> <chr>   <lgl> <lgl> <chr>   <chr>  
#> 1 1-Methylh…    7.67 0       NA            1 HMDB00… TRUE  TRUE  Water   DSS    
#> 2 1-Methylh…    7    0       NA            1 HMDB00… TRUE  TRUE  Water   DSS    
#> 3 1-Methylh…    3.96 1,1     7.66,4…       2 HMDB00… TRUE  TRUE  Water   DSS    
#> 4 1-Methylh…    3.68 0       NA            4 HMDB00… TRUE  TRUE  Water   DSS    
#> # … with 2 more variables: NMRFreq <dbl>, pH <chr>, and abbreviated variable
#> #   names ¹​pos_in_ppm, ²​couple_code, ³​J_constant, ⁴​relative_intensity,
#> #   ⁵​Accession, ⁶​ChemShiftRef