TY - JOUR
T1 - A method for the statistical evaluation of accurate mass measurement quality
AU - Sack, Thomas M.
AU - Lapp, Rick L.
AU - Gross, Michael L.
AU - Kimble, Brenda J.
N1 - Funding Information:
This research was supported by the Midwest Center for Mass Spectrometry, a National Science Foundation Regional Instrumentation Facility (Grant No. CHE-8211164). T.M.S. received partial support from an American Chemical Society Analytical Division Fellowship sponsored by the Olin Corporation. The authors thank Mr. Riley McPherron for his contributions in the early development of this work and Dr. Martin Levy for reviewing the statistical methods cited in this paper.
PY - 1984/10/8
Y1 - 1984/10/8
N2 - A generalized procedure for evaluating the accuracy and precision of mass measurements is described. A large, statistically significant number of mass spectra of a test compound, typically perfluorotributylamine, are acquired using a high resolution mass spectrometer. The mass measurement errors for a subset of the ionic fragments from the test compound are rigorously evaluated using statistical techniques. The results thus provided are a quantitative documentation of mass spectrometer performance. Experimental and theoretical statistical considerations are explored to refine the methodology into a general technique. Application of the method to the determination of the effects of various operating parameters such as choice of test compound, scan rate, magnet reset time, and peak intensity is demonstrated.
AB - A generalized procedure for evaluating the accuracy and precision of mass measurements is described. A large, statistically significant number of mass spectra of a test compound, typically perfluorotributylamine, are acquired using a high resolution mass spectrometer. The mass measurement errors for a subset of the ionic fragments from the test compound are rigorously evaluated using statistical techniques. The results thus provided are a quantitative documentation of mass spectrometer performance. Experimental and theoretical statistical considerations are explored to refine the methodology into a general technique. Application of the method to the determination of the effects of various operating parameters such as choice of test compound, scan rate, magnet reset time, and peak intensity is demonstrated.
UR - http://www.scopus.com/inward/record.url?scp=0001702930&partnerID=8YFLogxK
U2 - 10.1016/0168-1176(84)85129-0
DO - 10.1016/0168-1176(84)85129-0
M3 - Article
AN - SCOPUS:0001702930
SN - 0168-1176
VL - 61
SP - 191
EP - 210
JO - International Journal of Mass Spectrometry and Ion Processes
JF - International Journal of Mass Spectrometry and Ion Processes
IS - 2
ER -