. Author manuscript; available in PMC: 2021 May 5.

Published in final edited form as: Anal Chem. 2020 Apr 23;92(9):6521–6528. doi: 10.1021/acs.analchem.0c00129

Table 3.

Eleven CACs and their in-source artifacts, including formula and m/z values for the CACs, coeluting artifact formula, difference in formula (Form Diff) between each CAC and its artifact AC, and their retention time (RT/s). Also shown are RT ranges of identified acylcarnitine isomers (RT/s), and the abundance ratio of artifact AC to CAC.

No.	CAC		Artifact AC			Identified AC	Ab ratio
	Formula	m/z	Formula	Form Diff	RT/s	RT/s
1	C₁₃H₂₆NO₅S⁺	308.1526	C₁₃H₂₂NO₄⁺	CH₄OS	204	368 - 455	1.16
2	C₁₉H₃₈NO₈S⁺	440.2313	C₁₉H₃₈NO₅⁺	SO₃	1207	1225 - 1243	1.92
3	C₁₅H₂₉N₂O₆S⁺	365.1741	C₁₂H₂₂N₂O₄⁺	C₃H₇NO₂S^*	131	368 - 455	0.04
4	C₁₈H₃₅N₂O₆S⁺	407.2210	C₁₅H₂₈N₂O₄⁺	C₃H₇NO₂S^*	673	1006 - 1190	0.10
5	C₁₈H₃₅N₂O₆S⁺	407.2210	C₁₅H₂₈N₂O₄⁺	C₃H₇NO₂S^*	708	1006 - 1190	0.12
6	C₂₀H₃₅N₂O₆S⁺	431.2210	C₁₇H₂₈N₂O₄⁺	C₃H₇NO₂S^*	791	1170 - 1208	0.14
7	C₂₀H₃₇N₂O₆S⁺	433.2367	C₁₇H₃₀N₂O₄⁺	C₃H₇NO₂S^*	859	1191 - 1238	0.20
8	C₂₀H₃₇N₂O₆S⁺	433.2367	C₁₇H₃₀N₂O₄⁺	C₃H₇NO₂S^*	960	1191 - 1238	0.30
9	C₂₀H₃₉N₂O₆S⁺	435.2523	C₁₇H₃₂N₂O₄⁺	C₃H₇NO₂S^*	1130	1226 - 1260	0.12
10	C₂₀H₃₉N₂O₆S⁺	435.2523	C₁₇H₃₂N₂O₄⁺	C₃H₇NO₂S^*	1156	1226 - 1260	0.15
11	C₂₄H₄₅N₂O₇S⁺	505.2942	C₂₁H₃₈N₂O₅⁺	C₃H₇NO₂S^*	1146	1249 - 1301	0.51

C₃H₇NO₂S is for formula of cysteine.