Motivation: The addition of ion mobility spectrometry to liquid chro-matography-mass spectrometry experiments requires new, or up-dated, software tools to facilitate data processing. Results: 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 spe-cies, including species that exist in multiple conformations that may have been separated in the IMS dimens...
Ion mobility spectrometry is an analytical technique known for more than 100 years, which entails se...
The annotation of small molecules remains a major challenge in untargeted mass spectrometry-based me...
Liquid chromatography coupled to mass spectrometry (LC/MS) has been widely used in proteomics and me...
LC-IMS-MS Feature Finder: detecting multidimensional liquid chromatography, ion mobility and mass sp...
Untargeted metabolomics by liquid chromatography-mass spectrometry generates data-rich chromatograms...
Motivation: Liquid chromatography-mass spectrometry (LC/MS) profiling is a promising approach for th...
Lipidomics studies suffer from analytical and annotation challenges due to the great structural simi...
Metabolite profiling is a recent addition to the suite of high-throughput phenotyping technologies. ...
Summary: We report a software scheme for automated diagnosis of liquid chromatography tandem mass sp...
Abstract. Liquid chromatography coupled with mass spectrometry is an established method in shotgun p...
Summary: we report a software scheme for automated diagnosis of liquid chromatography tandem mass sp...
The annotation of small molecules remains a major challenge in untargeted mass spectrometry-based me...
Ion mobility spectrometry coupled to multi capillary columns (MCC/IMS) combines highly sensitive spe...
Motivation: Peak detection is a key step in the pre-processing of untargeted metabolomics data gener...
BACKGROUND: Mass Spectrometry coupled to Liquid Chromatography (LC-MS) is commonly used to analyze t...
Ion mobility spectrometry is an analytical technique known for more than 100 years, which entails se...
The annotation of small molecules remains a major challenge in untargeted mass spectrometry-based me...
Liquid chromatography coupled to mass spectrometry (LC/MS) has been widely used in proteomics and me...
LC-IMS-MS Feature Finder: detecting multidimensional liquid chromatography, ion mobility and mass sp...
Untargeted metabolomics by liquid chromatography-mass spectrometry generates data-rich chromatograms...
Motivation: Liquid chromatography-mass spectrometry (LC/MS) profiling is a promising approach for th...
Lipidomics studies suffer from analytical and annotation challenges due to the great structural simi...
Metabolite profiling is a recent addition to the suite of high-throughput phenotyping technologies. ...
Summary: We report a software scheme for automated diagnosis of liquid chromatography tandem mass sp...
Abstract. Liquid chromatography coupled with mass spectrometry is an established method in shotgun p...
Summary: we report a software scheme for automated diagnosis of liquid chromatography tandem mass sp...
The annotation of small molecules remains a major challenge in untargeted mass spectrometry-based me...
Ion mobility spectrometry coupled to multi capillary columns (MCC/IMS) combines highly sensitive spe...
Motivation: Peak detection is a key step in the pre-processing of untargeted metabolomics data gener...
BACKGROUND: Mass Spectrometry coupled to Liquid Chromatography (LC-MS) is commonly used to analyze t...
Ion mobility spectrometry is an analytical technique known for more than 100 years, which entails se...
The annotation of small molecules remains a major challenge in untargeted mass spectrometry-based me...
Liquid chromatography coupled to mass spectrometry (LC/MS) has been widely used in proteomics and me...
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