CCS	collision cross-section
ESI	electrospray ionization
HMDB	human metabolome database
HRMS	high-resolution mass spectrometry
IMS	ion mobility spectrometry
LC	liquid chromatography
m/z	mass to charge ratio
MS	mass spectrometry
MSI	metabolomics standards initiative
MSMLS	mass spectrometry metabolite library of standards (Sigma-Aldrich)
QSRR	quantitative structure retention relationships
QTOf	quadrupole time-of-flight
Rt	retention time
SD	standard deviation
SMILES	simplified molecular input line entry system
SVR	support vector regression
UHPLC	ultra high-performance liquid chromatography