. Author manuscript; available in PMC: 2021 Mar 1.

Published in final edited form as: J Chromatogr B Analyt Technol Biomed Life Sci. 2018 Mar 2;1083:86–92. doi: 10.1016/j.jchromb.2018.02.043

Table 2.

Compound specific mass spectrometry parameters.^* The tolerance for the response ratio between quantitation and confirmation was ±25%.

Analyte	Ion-transition (m/z)		DP	EP	CE	CXP
Analyte	Quantitation	Confirmation	DP	EP	CE	CXP
HDA	117.1→100.1	-			13
	-	117.1→55	40	5	25	10
HDA-²H₁₂	129.1→112				13
IPDA	171.1→154.0	-			18
	-	171.1→95.0	50	10	30	9
IPDA-¹⁵N₂¹³C	174.0→156.0				18
BMAA	119.1→102.1	-			13
	-	119.1→88.1	40	4	15	6
BMAA-¹⁵N₂¹³C	122.1→104.1				13
TMAO	76.0→43.0	-			25
	-	76.0→60.0	50	8	25	8
TMAO-¹³C₃	79.1→62.0				25

DP = Declustering Potential; EP = Entrance Potential; CE = Collision Energy; CXP= Cell Exit Potential

TMAO data was detuned to avoid detector saturation. Instrument detuned using non-optimal but specific ion-transition and collision energy for TMAO