. 2020 Jun 15;455:116370. doi: 10.1016/j.ijms.2020.116370

Table 3a.

SRM transitions for non-nucleoside reverse transcriptase inhibitor (nNRTI) antiviral drugs in the positive-ion mode. A question mark (?) in the column “formula” indicates that the proposed elemental composition is uncertain, as it is not confirmed by accurate-m/z data.

Compound	m/z of [M+H]⁺	Formula	m/z of SRM product-ion	Formula	Literature
dapivirine	330.171	[C₂₀H₂₀N₅]⁺	158.059	[C₈H₆N₄]^+• ?	[51,52]
dapivirine	330.171	[C₂₀H₂₀N₅]⁺	119.086	[C₉H₁₁]⁺	[51,52]
delavirdine	457.202	[C₂₂H₂₉N₆O₃S]⁺	221.176	[C₁₂H₂₁N₄]⁺	[11]
doravirine	426.058	[C₁₇H₁₂ClF₃N₅O₃]⁺	112.051	[C₄H₆N₃O]⁺	[53]
doravirine	426.058	[C₁₇H₁₂ClF₃N₅O₃]⁺	315.014	[C₁₃H₇ClF₃N₂O₂]⁺	[53]
efavirenz	316.035	[C₁₄H₁₀ClF₃NO₂]⁺	244.014	[C₁₁H₆ClF₃N]⁺	[14,54,55]
			232.014	[C₁₀H₆ClF₃N]⁺	[55]
			168.081	[C₁₂H₁₀N]⁺	[55]
etravirine	435.056	[C₂₀H₁₆BrN₆O]⁺	144.056	[C₈H₅N₃]⁺	[17,42]
			303.983	[C₁₁H₇BrN₅O]⁺	[17,21,23,56]
			164.948	[C₃H₄⁸¹BrN₂O]⁺	[57]
			162.950	[C₃H₄BrN₂O]⁺	[[14], [16], [18], [42], [58]]
nevirapine	267.124	[C₁₅H₁₅N₄O]⁺	226.085	[C₁₂H₁₀N₄O]^+•	[11,14,18,20,21,42,54,55]
			198.091	[C₁₁H₁₀N₄]^+•	[23,55]
			197.082	[C₁₁H₉N₄]⁺ ?	[17,55]
			80.049	[C₅H₆N]⁺	[19]
rilpivirine (RPV)	367.167	[C₂₂H₁₉N₆]⁺	350.140	[C₂₂H₁₆N₅]⁺ ?	[19]
			224.118	[C₁₄H₁₄N₃]⁺ ?	[19,23]
			195.092	[C₁₃H₁₁N₂]⁺	[17,22]
			192	?	[17]
			128.062	[C₁₀H₈]^+•	[22,59]