Table 1. Overview of Related Studies Using QCxMS with Semiempirical Calculations.

study	classes	molecules	masses	method	reference	atom types
this study	56	367	108–715	GFN1-xTB	RECETOX Exposome HR-[EI+]-MS library33	C H O N F P S Cl Br Si
Wang et al.27	43	451	26–358	OM2	NIST17	C H N O
Wang et al.24	NA	41	55–333	OM2/CISD + GFN1-xTB	NIST17	C H N O F
Wang et al.28	10	816	115–299	GFN1-xTB	NIST17	C H N O Si
Schreckenbach et al.25	NA	35	74–959	GFN1-xTB	NIST14	C H N O P Cl Br
Ásgeirsson et al.23	NA	23	86–505	GFN1-xTB	NIST/SDBSa	C H N O P B Sb S Cl Bs Ge Te Ni Cu Cr Fe F Al Si Sn
Lee et al.26	12	80	120–207	OM2/OM3	NIST17	C H N O

^aSDBS: https://sdbs.db.aist.go.jp/.