Table 1.

MetabolitePilot™ processing settings. MS(/MS), (tandem) mass spectrometry.

Parent Compound	ADB-FUBINACA
Formula	C21H23N4O2F
Theoretical m/z (positive mode)	383.1878
Biotransformations
C7H5F loss, C6H11NO loss, C6H12N2O loss, NH loss, amide hydrolysis, carboxylation, defluorination, defluorobenzylation, desaturation, glucuronidation, glutathione conjugation, hydrogenation, amide hydrolysis to carboxylic acid, internal hydrolysis, ketone formation, hydroxylation, sulfation, and combinations
Chromatographic parameters
Min peak width	2.5 s
Min chromatographic intensity	500 cps
Retention time window	1 to 13 min
MS parameters
m/z tolerance	50 ppm
Min MS peak intensity	100 cps
Mass range window	150 to 800 m/z
Isotopic pattern intensity tolerance	20%
Isotopic pattern m/z tolerance	25 ppm
MS/MS parameters
m/z tolerance	50 ppm
Min MS/MS peak intensity	50 cps
Characteristic product ions	Find at least 1
Neutral loss	Find at least 1