Updating an Accurate Mass Library using MassWorks
Poster Number
09C
Format
Poster Presentation
Faculty Mentor Name
David Sparkman
Faculty Mentor Department
Chemistry
Additional Faculty Mentor Name
Liang Xue
Additional Faculty Mentor Department
Chemistry
Graduate Student Mentor Name
Chao Feng
Graduate Student Mentor Department
Chemistry
Additional Mentors
Graduate Student Mentor:
Michael B.Pastor
m_pastor@u.pacific.edu
Chemistry
Graduate Student Mentor:
Krege Christison
k_christison@u.pacific.edu
Chemistry
Abstract/Artist Statement
The National Institute of Standards and Technology (NIST) database is a standardized compilation of over 200K electron ionization (EI) mass spectra. Most of the mass spectra in the NIST database were collected using GC/MS providing only nominal masses for the compounds. The objective of this project was to compile an internal library comprised of accurate mass spectra from various compounds utilizing Gas Chromatography/Mass Spectrometry (GC/MS) and Cerno Bioscience MassWorks software. The accurate mass spectra will be added to the existing NIST database. This project, combining both GC/MS and the MassWorks software allows for the assignment of accurate mass on spectra obtained through the use of a quadrupole mass analyzer. Solutions of various compounds were prepared using MeOH or DCM at working dilutions of 500 ppm. Over 50 compounds including new database entries were analyzed and processed through the software. This project allows for indirect accurate mass measurements through a conventional GC/MS system.
Location
DeRosa University Center, Ballroom
Start Date
29-4-2017 1:00 PM
End Date
29-4-2017 3:00 PM
Updating an Accurate Mass Library using MassWorks
DeRosa University Center, Ballroom
The National Institute of Standards and Technology (NIST) database is a standardized compilation of over 200K electron ionization (EI) mass spectra. Most of the mass spectra in the NIST database were collected using GC/MS providing only nominal masses for the compounds. The objective of this project was to compile an internal library comprised of accurate mass spectra from various compounds utilizing Gas Chromatography/Mass Spectrometry (GC/MS) and Cerno Bioscience MassWorks software. The accurate mass spectra will be added to the existing NIST database. This project, combining both GC/MS and the MassWorks software allows for the assignment of accurate mass on spectra obtained through the use of a quadrupole mass analyzer. Solutions of various compounds were prepared using MeOH or DCM at working dilutions of 500 ppm. Over 50 compounds including new database entries were analyzed and processed through the software. This project allows for indirect accurate mass measurements through a conventional GC/MS system.