mass-spectrum

Here are 7 public repositories matching this topic...

johon-lituobang / MM

Infer metabolic directions from moment differences of mass-weighted intensity distributions

annotations moment metabolomics mass-spectrometry moments metabolic-models metabolic-network metabolic-engineering mass-spectrum metabolic-pathways metabolic-flux-analysis mass-spectra mass-spectrometry-data metabolic-networks

Updated Feb 9, 2024
R

aalto-ics-kepaco / msms_rt_score_integration

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Code, Data and Results of the publication: "Probabilistic Framework for Integration of Tandem-Mass Spectrum and Retention Time Information in Small Molecule Identification" by Bach et al. 2020

mass-spectrum lc-msms metabolite-identification retention-order-prediction

Updated Dec 6, 2021
MAXScript

Protea-Glycosciences / GlyComboCLI

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GlyComboCLI is an open source command line interface for combinatorial glycan composition determination to identify glycans in MS acquisitions of glycan-containing samples in text or mzML formats. This application enables rapid extraction of precursor m/z values from mzML files, a vendor-neutral format that ensures cross-platform compatibility.

csv biochemistry omics spectral-analysis mzml glycomics mass-spectrum carbohydrate-accession sequence-composition-calculation