US 11,694,884 B2
Mass spectral analysis of large molecules
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. 1, 2020, as Appl. No. 17/108,835.
Application 17/108,835 is a continuation of application No. PCT/US2019/035173, filed on Jun. 3, 2019.
Claims priority of provisional application 62/679,720, filed on Jun. 1, 2018.
Prior Publication US 2021/0104390 A1, Apr. 8, 2021
Int. Cl. H01J 49/36 (2006.01); H01J 49/00 (2006.01); G01N 33/68 (2006.01)
CPC H01J 49/0036 (2013.01) [G01N 33/6848 (2013.01); H01J 49/0009 (2013.01)] 22 Claims
OG exemplary drawing
 
1. A method for mass spectral analysis of ions having a minimum of two different charges based on full mass spectral profile or raw scan mode data, comprising the steps of:
a. specifying the basic building blocks for a given molecule;
b. estimating initial values including trial integer numbers of building blocks and charge states, and considering possible modifications;
c. calculating discrete isotope distributions based on elemental compositions for each charge state;
d. calculating a profile mode theoretical mass spectrum using a target mass spectrum peak shape function;
e. performing regression analysis between acquired profile mode mass spectrum data and calculated theoretical mass spectrum data and reporting regression statistics;
f. using regression statistics as feedbacks to update initially estimated values including trial integer numbers of building blocks and charge states, and possible modifications;
g. repeating step c, d, e, and f to optimize the regression statistics; and
h. summing relative concentrations of the ions having different charge states to determine the total concentration of the given molecule.