ABF – Axon Binary Format
AFFF – aqueous film forming foam
ALS – automatic liquid sampler
ANDI-MS – Analytical Data Interchange – Mass Spectrometry
ANOVA – analysis of variance
APCI – atmospheric pressure chemical ionization
API – application programming interface
BP4NTA – Benchmarking and Publications for non-targeted analysis
CAS – Chemical Abstract Service
CASMI – Critical Assessment of Small Molecule Identification
CE – capillary electrophoresis
CEC – capillary electrokinetic chromatography
CI – conformity index
CID – collision induced dissociation
CLI – command-line interface
CoA – Certificate of Analysis
COC – cold on-column
CV – coefficient of variation
DBSCAN – density-based spatial clustering of applications with noise
DDA – data dependent acquisition
DIA – data independent acquisition
DSPE – dispersive solid phase extraction
DSPME – dispersive solid phase microextraction
ESI – electrospray ionization
FDR – false discovery rate
FN – false negative
FNR – false negative rate; also known as “miss rate”
FP – false positive
FPR – false positive rate; also known as “fall-out”
FWHM – full width-half maximum
GC – chromatography
GMM – Gaussian mixture model
GUI – graphical user interface
HCA – hierarchical cluster analysis
ID – identification
ID – inner diameter
IMS – ion mobility spectrometry
IR – infrared
IUPAC – International Union of Pure and Applied Chemistry
KOW – octanol-water partition coefficient
LC – liquid chromatography
LDA – linear discriminant analysis
LLE – liquid-liquid extraction
LLE – locally linear embedding
LPME – liquid-phase microextraction
LVI – large volume injection
m/z – mass-to-charge ratio
MAE – microwave-assisted extraction
MCC – Matthew’s correlation coefficient
MM – main manuscript
MRM – multiple reaction monitoring
MS – mass spectrometry
mz@RT – m/z-retention time pair
NCE – normalized collision energy
netCDF – Network Common Data Form
NIST – National Institute of Standards and Technology
NMDS – non-metric multidimensional scaling
NMR – nuclear magnetic resonance
NTA – non-targeted analysis
PCA – principal component analysis
PFAS – per- and polyfluoroalkyl substances
PFOS – perfluorooctane sulfonic acid
PLE – pressurized liquid extraction
PLS-DA – partial least squares – differential analysis
ppm – parts per million
PTV – programmed temperature vaporization
QA – quality assurance
QA/QC – quality assurance/quality control
QC – quality control
QuEChERs – quick, easy, cheap, effective, rugged, and safe
RF – radio frequency
RSD – relative standard deviation
RT – retention time
RT – retention time
S/N – signal to noise ratio
SBSE – stir bar sorptive extraction
SD – standard deviation
SI – supplemental information
SIM – selected ion monitoring
SPE – solid phase extraction
SRT – Study Reporting Tool
SSA – suspect screening analysis
SSPL – split/splitless
TN – true negative
TNR – true negative rate; also known as “specificity” or “selectivity”
TP – true positive
TPR – true positive rate; also known as “recall”, “sensitivity” or “hit rate”
t-SNE – t-distributed stochastic neighbor embedding
UV-Vis – ultraviolet-visible
VEC – vacuum-assisted evaporative concentration
WRTMD – Wiley Registry of Tandem Mass Spectral Data