LOBSTAHS

LOBSTAHS is a software tool for the automated discovery and identification of molecular biomarkers in large liquid chromatography-mass spectrometry (LC/MS) datasets, mainly focusing on lipidomics. The tool aims to streamline the compound screening and annotation process without sacrificing accuracy. Using a high-throughput annotation workflow, LOBSTAHS employs adduct hierarchy sequences and other criteria based on adduct ion formation patterns to identify numerous lipid, oxidized lipid, and oxylipin biomarkers in high-mass-accuracy HPLC-MS data.
LOBSTAHS gives users a confidence score for each assignment and allows screening against customizable databases containing a default set of 14,068 unique entries.

Topic

Small molecules;Metabolomics

Detail

  • Operation: Annotation;Spectral analysis

  • Software interface: Command-line user interface,Library

  • Language: R

  • License: The GNU General Public License v3.0

  • Cost: Free

  • Version name: 1.28.0

  • Credit: -

  • Input: -

  • Output: -

  • Contact: Henry Holm hholm@whoi.edu, Daniel Lowenstein dlowenstein@whoi.edu, James Collins james.r.collins@aya.yale.edu

  • Collection: -

  • Maturity: Stable

Publications

  • LOBSTAHS: An Adduct-Based Lipidomics Strategy for Discovery and Identification of Oxidative Stress Biomarkers.
  • Collins JR, et al. LOBSTAHS: An Adduct-Based Lipidomics Strategy for Discovery and Identification of Oxidative Stress Biomarkers. LOBSTAHS: An Adduct-Based Lipidomics Strategy for Discovery and Identification of Oxidative Stress Biomarkers. 2016; 88:7154-62. doi: 10.1021/acs.analchem.6b01260
  • https://doi.org/10.1021/acs.analchem.6b01260
  • PMID: 27322848
  • PMC: -

Download and documentation

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