. Author manuscript; available in PMC: 2014 Feb 1.

Published in final edited form as: Anal Biochem. 2012 Oct 13;433(1):56–64. doi: 10.1016/j.ab.2012.10.007

Table 3.

Summary of Scan Modes Used for Natural and Deuterated Cholesterol and CE Detection and Quantification in Uptake and Efflux Studies

Target Compound	Infused Compound Observed	Parent Ion Observed	CAD Ions Observed	Scan Type Used To Measure Target Compound
Cholesterol	Cholesterol acetate	Sodiated cholesterol acetate m/z 451.73	Sodiated acetate (m/z 83.01) Cholestane (m/z 369.69)	Positive Ion Mode- PI 83
[d₇]-Cholesterol	[d₇]-Cholesterol acetate	Sodiated [d₇]- cholesterol acetate m/z 458.83	Sodiated acetate (m/z 83.02) [d₇]-Cholestane (m/z 376.73)	Positive Ion Mode- PI 83
18:1 CE	18:1 CE	Sodiated 18:1 CE m/z 673.6	Sodiated oleate (m/z 305.1) Cholestane (m/z 369.4)	Positive Ion Mode- NL 368.5
[d₇]-18:1 CE	[d₇]-18:1 CE	Sodiated [d₇]-18:1 CE m/z 680.7	Sodiated oleate (m/z 305.1) [d₇]-Cholestane (m/z 376.4)	Positive Ion Mode- NL 375.5

Each indicated target compound was subjected to direct infusion ESI-MS/MS with indicated scan modes including collisionally-activated dissociation (CAD), precursor ion (PI) and neutral loss (NL). Cholesterol and [d₇]-cholesterol were first converted to their acetylated derivatives prior to ESI-MS/MS. All infused compounds were assessed as their sodiated adducts. Similar strategies (NL 368.5 and 375.5, respectively) were used for other natural and [d₇]-CE as is depicted for 18:1 CE and [d₇]-18:1 CE targets.