TABLE II

Examples of Complementing RRFs Across Orthogonal Techniques in the Database for HS-GC-MS, GC-MS, and LC-MS (APCI)

Cas	Compound Name	Technique Specific RRF Values
Cas	Compound Name	HS-GC-MS	GC-MS	LC-MS
Complementing HS-GC-MS & GC-MS & LC-MS RRF Entries
95-16-9	Benzothiazole	0.003	0.901^a	1.209
100-52-7	Benzaldehyde	0.042	0.699	0.178
98-86-2	Acetophenone	0.033	0.690	0.009
761-65-9	N,N-Dibutylformamide	0.001	0.559	1.206
1119-40-0	Pentanedioic acid, dimethyl ester	0.001	0.460	0.245
Complementing HS-GC-MS & GC-MS RRF Entries
135-98-8	sec-Butylbenzene	2.990	0.928	n.d^b
95-47-6	o-Xylene	1.740	0.914	n.d
106-46-7	1,4-Dichlorobenzene	1.720	0.705	n.d
112-41-4	1-Dodecene	1.510^c	0.556^c	n.d
629-50-5	n-Tridecane	2.270^c	0.422^c	n.d
629-62-9	n-Pentadecane	0.533	1.025	n.d
104-76-7	2-Ethyl-1-hexanol	0.097	0.588	n.d
4265-25-2	2-Methylbenzofuran	0.468	0.894	n.d
111-70-6	1-Heptanol	0.146	0.631	n.d
112-73-2	Diethylene glycol di-n-butyl ether	0.071	0.669	n.d
Complementing GC-MS & LC-MS RRF Entries
1568-83-8	Bisphenol A dimethyl ether	n.d	1.630	0.101
2943-75-1	Triethoxyethyl-n-octylsilane	n.d	1.210	0.013
80-46-6	4-tert-Pentylphenol	n.d	1.110	0.100
101-02-0	Triphenyl phosphite	n.d	0.922	0.279
80-07-9	Bis(4-Chlorophenyl) sulfone	n.d	0.893	0.050
149-30-4	2-Mercaptobenzothiazole	n.d	0.112	0.459
619-21-6	3-Formylbenzoic acid	n.d	0.078	1.081
1212-29-9	1,3-Dicyclohexythiourea	n.d	0.062	1.043
2306-33-4	Monoethyl phthalate	n.d	0.041	0.410
4559-70-0	Diphenylphosphine oxide	n.d	0.024	0.936

↵a Bold entries reflect the method that would give the most accurate and reportable concentration estimate.
↵b n.d. Compound outside scope of technique.
↵c For these analytes, HS-GC-MS and GC-MS results are nearly equally acceptable.