LC-IMS-MS Feature Finder. Detecting Multidimensional Liquid Chromatography, Ion Mobility, and Mass Spectrometry Features in Complex Datasets
Journal Article
·
· Bioinformatics, 29(21):2804-2805
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
We introduce a command line software application LC-IMS-MS Feature Finder that searches for molecular ion signatures in multidimensional liquid chromatography-ion mobility spectrometry-mass spectrometry (LC-IMS-MS) data by clustering deisotoped peaks with similar monoisotopic mass, charge state, LC elution time, and ion mobility drift time values. The software application includes an algorithm for detecting and quantifying co-eluting chemical species, including species that exist in multiple conformations that may have been separated in the IMS dimension.
- Research Organization:
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC05-76RL01830
- OSTI ID:
- 1108127
- Report Number(s):
- PNNL-SA-95214; 40072; 47418; KP1601010
- Journal Information:
- Bioinformatics, 29(21):2804-2805, Vol. 29, Issue 21; ISSN 1367-4803
- Country of Publication:
- United States
- Language:
- English
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