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ElemCor: accurate data analysis and enrichment calculation for high-resolution LC-MS stable isotope labeling experiments.

Di DuLin TanYumeng WangBo PengJohn N WeinsteinFredric E WondisfordXiaoyang SuPhilip L Lorenzi
Published in: BMC bioinformatics (2019)
We present a software tool based on two methods, MDT and ULS, to correct LC-MS data from isotopic labeling experiments for natural abundance and isotopic impurity. We recommend MDT for low-mass compounds for cost efficiency in experiments, and ULS for high-mass compounds with relatively large spectral inaccuracy that can be tracked by unlabeled standards.
Keyphrases
  • data analysis
  • high resolution
  • optical coherence tomography
  • mass spectrometry
  • electronic health record
  • antibiotic resistance genes
  • big data
  • magnetic resonance imaging
  • machine learning
  • wastewater treatment