Analyst/Programmer for Mass Spectral Reference Data

National Institute of Standards and Technology; Gaithersburg, Northern (MD, KY); Hybrid; USD 70,000 - 100,000; Full time

Job summary

National Institute of Standards and Technology (NIST) seeks qualified candidates to maintain and develop software and analysis methods for reference databases of mass spectra and related data. The role focuses on a complex Windows UI, mass spectral analysis, and library building within the NIST Mass Spectrometry Data Center Group.

This associate researcher position (not federal employee) offers opportunities to collaborate with NIST researchers and external distributors, with potential renewal

Qualifications

• Experience in developing interactive Windows-based scientific database software.
• Experience with chemical structure analysis by computer.
• Knowledge of mass spectral fragmentation rules for EI and ESI-MS.
• Ability to work with research scientists and programmers.

Responsibilities

• Maintain and extend a complex Windows UI program for NIST Mass Spectral Reference Libraries used for compound identification.
• Maintain and extend UI and data analysis algorithms for interpreting mass spectra in terms of chemical structure.
• Create consensus mass spectral libraries for specialized NIST applications.
• Create interfaces between programs written by other NIST staff and external distributors of NIST data to the library program.

Skills

VC++

Chemical structure analysis

Mass spectrometry

Collaboration with scientists

Tools

Microsoft Visual C++

Mass Spectral Libraries

Job description

The Material Measurement Laboratory of the National Institute of Standards and Technology (NIST) is seeking qualified candidates (U.S. citizens preferred) to maintain and develop widely used software and analysis methods for reference databases of mass spectra and related data. This involves highly complex Microsoft Windows user interface software for both internal and external use in accessing this data as well as for identifying compounds in complex chemical mixtures. It also involves developing software specifically designed for mass spectral data quality analysis. Spectra include electron ionization with retention indices, tandem electrospray of small molecules and peptides. This work also involves the implementation of chemical structure-based analysis as well as the building of varied library analysis tools to assist NIST research programs.

Duties

• Maintain and extend a highly complex Microsoft Windows user interface program for enabling the use of NIST Mass Spectral Reference Libraries for compound identification.
• Maintain and extend user interfaces and data analysis algorithms for interpreting mass spectra in term of chemical structure.
• Create consensus mass spectral libraries for specialized NIST applications.
• Create interfaces between programs written by other NIST staff and external distributors of NIST data to the NIST library program.

Required Skills, Expertise, and Qualifications

• Demonstrated expertise in developing highly interactive, complex Microsoft Visual C++ chemical structure based scientific database software
• Demonstrated expertise in chemical structure analysis by computer
• Demonstrated facility in applying mass spectral fragmentation rules for electron ionization, electrospray tandem and related ionization methods
• Experience in working closely with research scientists and scientific programmers

Employment Terms

This opportunity is to be an associate researcher in the NIST Mass Spectrometry Data Center Group for a term of 1 year, with options to renew. Associate researchers are NOT Federal Employees, but they work aside NIST researchers and with NIST’s world-class instrumentation. Relocation expenses will not be provided. U.S. citizens hired into associate positions may have the opportunity to seek longer term Federal employment.

An Associate at NIST is not a federal employee but collaborates with NIST on research projects of mutual interest and does not work exclusively on NIST mission-related activities. If you have any questions, please contact the International and Academic Affairs Office at [e-mail] .