Title

Updating an Accurate Mass Library using MassWorks

Poster Number

09C

Lead Author Major

Biochemistry

Lead Author Status

Senior

Second Author Major

Chemistry

Second Author Status

Sophomore

Format

Poster Presentation

Faculty Mentor Name

David Sparkman

Faculty Mentor Email

osparkman@pacific.edu

Faculty Mentor Department

Chemistry

Additional Faculty Mentor Name

Liang Xue

Additional Faculty Mentor Email

lxue@pacific.edu

Additional Faculty Mentor Department

Chemistry

Graduate Student Mentor Name

Chao Feng

Graduate Student Mentor Email

c_feng1@u.pacific.edu

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

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Apr 29th, 1:00 PM Apr 29th, 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.