Curation Standard Operation Protocoles

SOP for Chemical compounds

• Document to provide chemical compound identifier for PeakForest database
  • Last document release
• Document for compound curation into PeakForest
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SOP for Mass

• Document to upload MS peak list into PeakForest
  • Last document release
• Document to extract a MS2 peak list from Thermo raw files
  • Last document release
• Publication "Proposal for a chemically consistent way to annotate ions arising from the analysis of reference compounds under ESI conditions: A prerequisite to proper mass spectral database constitution in metabolomics" - Damont et al, J Mass Spectrom. 2019
  • Last paper release

SOP for Nuclear Magnetic Resonance

• Document to upload NMR peak list into PeakForest
  • Last document release
• Document for adding numbered structures into PeakForest:
  • Published version
  • Last document release