US 12,142,471 B2
Direct and automatic chromatography-mass spectral analysis
Don Kuehl, Windham, NH (US); Stacey Simonoff, Portsmouth, NH (US); and Yongdong Wang, Las Vegas, NV (US)
Assigned to CERNO BIOSCIENCE LLC, Las Vegas, NV (US)
Filed by CERNO BIOSCIENCE LLC, Las Vegas, NV (US)
Filed on Dec. 11, 2023, as Appl. No. 18/535,452.
Application 18/535,452 is a continuation of application No. PCT/US2023/012187, filed on Feb. 2, 2023.
Claims priority of provisional application 63/305,969, filed on Feb. 2, 2022.
Prior Publication US 2024/0136166 A1, Apr. 25, 2024
Int. Cl. H01J 49/00 (2006.01); G16B 35/10 (2019.01)
CPC H01J 49/004 (2013.01) [G16B 35/10 (2019.02)] 26 Claims
OG exemplary drawing
 
1. A method for the analysis of compounds of interest through separation over time when using a mass spectral detection system and making a determination of retention index values, comprising the steps of
a. acquiring, at a plurality of times, mass spectral data throughout a range of mass to charge ratio for ionized particles of a sample;
b. selecting a relevant retention time window for presence of possible compounds of interest;
c. using the acquired mass spectral data in said relevant retention time window to perform a mass spectral library search for compounds in a mass spectral library and identify possible compounds along with their retention index values;
d. performing a regression analysis, using a regression model, between the retention index values of said possible compounds and their retention times by using a subset of compounds identified;
e. using said regression model to calculate a retention index value based on the measured retention time for a compound; and
f. using said calculated retention index value for one of comparing to previously measured retention index value of a known candidate compound to evaluate the likelihood of its correct identification and comparing to predicted retention index value of a previously unknown compound to evaluate the likelihood of a given possible structure.