Algorithms and file structures to extend and enhance liquid chromatography and ion mobility mass spectrometry workflows (CRADA Final Report)
- BATTELLE (PACIFIC NW LAB)
- Agilent Technologies, Inc., Santa Clara, CA (United States)
The purpose of this project was to continue supporting customizations of algorithms and raw data file structures to enhance software workflows for liquid chromatography (LC), mass spectrometry (MS) and ion mobility mass spectrometry (IM-MS)-based protein and metabolite characterization. PNNL worked with Agilent to design, implement, evaluate, and demonstrate new algorithms and integrated them as functionalities into the PNNL-PreProcessor software. The project augmented PNNL’s capabilities to analyze complex proteomics and metabolomics samples. These capabilities are directly beneficial to DOE and PNNL efforts to characterize and analyze these compounds in microbial and plant communities. The project assisted Agilent in further developing improved instrument-software solutions combining liquid chromatography and ion mobility with mass spectrometry for widespread applications in life sciences and other fields.
- Research Organization:
- Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Agilent Technologies, Inc., Santa Clara, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 2519688
- Report Number(s):
- CRADA-465; PNNL--37377
- Country of Publication:
- United States
- Language:
- English
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