US 9,812,306 B2
Shift correction for spectral analysis
Greger Andersson, Oxford, CT (US); and Kevin Judge, Danbury, CT (US)
Assigned to SMITHS DETECTION INC., Edgewood, MD (US)
Appl. No. 14/239,209
Filed by Greger Andersson, Oxford, CT (US); and Kevin Judge, Danbury, CT (US)
PCT Filed Aug. 17, 2012, PCT No. PCT/US2012/051440
§ 371(c)(1), (2), (4) Date May 20, 2014,
PCT Pub. No. WO2013/026026, PCT Pub. Date Feb. 21, 2013.
Claims priority of provisional application 61/524,689, filed on Aug. 17, 2011.
Prior Publication US 2014/0324362 A1, Oct. 30, 2014
Int. Cl. H01J 49/00 (2006.01); G06F 19/00 (2011.01)
CPC H01J 49/0036 (2013.01) [G06F 19/703 (2013.01)] 20 Claims
OG exemplary drawing
 
1. A method of detecting the presence of a component in a sample of a substance, the method comprising:
accessing mass spectrometry data stored in a tangible memory, the mass spectrometry data describing signal intensity and ionization time for the sample analyzed by a mass spectrometer, wherein the mass spectrometry data is configured to facilitate the representation of signal intensity versus ionization time for the sample in at least two mass chromatograms;
processing the mass spectrometry data to identify significant regions for analysis of each of the mass chromatograms;
identifying peaks in signal intensity within the identified significant regions of the mass chromatograms;
correcting the peaks in signal intensity with respect to mass-to-charge in the mass chromatograms;
aligning the at least two mass chromatograms to identify at least one aligned peak in signal intensity; and
identifying one or more components of the sample from the at least one aligned peak in signal intensity and detecting the presence of the component in the sample based on said identification.