. Author manuscript; available in PMC: 2011 Oct 1.

Published in final edited form as: Cancer Res. 2010 Sep 28;70(19):7543–7552. doi: 10.1158/0008-5472.CAN-09-4582

Table 1.

MRM transitions and ion optics parameters for the test compounds

Compound	ES+ MS transition (M/z)+	Cone Voltage (Volt)	Collision Energy (Volt)
Nicotine	163.1>106	35	15
Nicotine-methyl-D₃	166.1>106	35	15
Cotinine	177.1>98	40	20
Cotinine-methyl-D₃	180.1>101	40	20
3HC	193.1>80	40	20
3HC-methyl-D₃	196.1>80	40	20
Nicotine-Gluc	339.1>163.1	30	15
Nicotine-methyl-D₃-Gluc	342.1>166.1	30	15
Cotinine-Gluc	353.1>177.1	30	15
Cotinine-methyl-D₃-Gluc	356.1>180.1	30	15
3HC-Gluc	369.1>193.1	30	15
3HC-(methyl-D₃₎-Gluc	372.1>196.1	30	15
Creatinine	114.1>44	30	15
D₃-creatinine	117.1>47	30	15
Nicotine N′-Oxide	179.1>117.1	35	30
Nicotine-(methyl-D₃)-N′-Oxide	182>117.1	35	30
Cotinine N-Oxide	193.1>96	40	25
Cotinine-(methyl-D₃)-N-Oxide	196.1>96	40	25
4HPBA	182>109	35	25