Table 3:

Search results for Sample 46 using only the low-fragmentation is-CID mass spectrum (top row of results) and all three is-CID mass spectra (bottom, italicized row of results). Only compounds that were present in the mixture are shown, along with the result category for the FPIE and RevMD results, using a score threshold of 0.7 a.u. The Δm/z and isotope ratio difference (IRD) are also provided.

DIT Target #	Target m/z	Relative Intensity (%)	Peak Identification	Δm/z (Da)	IRD	FPIE Result	ReMF Result
1	237.1597	100.0	Procaine	−0.0006	0.060	Ideal	Ideal
						Ideal	Ideal
2	337.2250	71.0	Fentanyl	−0.0030	0.034	Desirable	Desirable
						Desirable	Desirable
3	205.0780	47.4	Levamisole	−0.0020	0.023	Ideal	Ideal
						Ideal	Ideal
4	238.1617	20.1	Isotope of Target 1	−0.0020	0.060	Ideal	Ideal
						Ideal	Ideal
5	338.2282	19.3	Isotope of Target 2 -or- Not in Mixture	−0.0032 0.0049	0.034 −0.097	Non-Descriptive 1	Non-Descriptive 1
						Non-Descriptive 1	Non-Descriptive 1
6	249.1584	13.4	Not in Mixture	−0.0019	0.011	Undesirable‡	Undesirable‡
						Non-Descriptive 2	Non-Descriptive 2
7	264.1941	10.0	Tramadol	−0.0023	0.024	Non-Descriptive 2	Ideal
						Non-Descriptive 2	Non-Descriptive 2
8	150.0894	8.0	Not in Mixture	−0.0025	−0.097	Non-Descriptive 2	Undesirableϟ
						Non-Descriptive 2	Non-Descriptive 2
9	206.0808	6.7	Isotope of Target 3	−0.0025	0.023	Ideal	Ideal
						Ideal	Ideal
16	195.0857	3.1	Caffeine	−0.0025	−0.087	Non-Descriptive 2	Ideal
						Non-Descriptive 2	Ideal
18	339.2312	2.5	Not in Mixture (Isotope of Target 5)	0.0046	−0.097	Undesirable†	Undesirable†
						Undesirable †	Undesirable †
21	118.1196	2.3	MF ion of Procaine	−0.0036	0.060	Ideal	Ideal
						Ideal	Ideal
23	250.1619	2.2	Isotope of Target 6	−0.0018	0.011	Undesirable‡	Undesirable‡
						Non-Descriptive 2	Non-Descriptive 2
24	265.1969	2.0	Isotope of Target 7	−0.0028	0.024	Non-Descriptive 2	Ideal
						Non-Descriptive 2	Non-Descriptive 2
28	136.0742	1.9	Not in Mixture	−0.0021	0.034	Undesirable	Undesirable
						Non-Descriptive 2	Undesirable

^†Metodesnitazene was identified as another potential target, unrelated to fentanyl, with a score above 0.7 a.u. for this search.

^‡Pindolol was identified as the only potential compound for Target 6 with a score above 0.7 a.u. for this search.

^ϟCathinone was identified as the only potential compound for Target 8 with a score above 0.7 a.u. for this search.