Man pages for OrgMassSpecR
Organic Mass Spectrometry

ConvertConcentrationConvert Concentration Basis
ConvertPeptideConvert peptide sequence.
DeadVolumeInternal volume of tubing.
DigestPredict Peptides Resulting from Enzymatic Digest
DrawChromatogramPlot a Chromatogram
example.chromatogram.singleExample Chromatograms
example.sequenceHuman Serum Albumin Amino Acid Sequence
example.spectrum.labeledExample MALDI-TOF Spectrum of Nitrogen-15 Labeled Peptide
example.spectrum.peptideExample Peptide Fragmentation Spectrum
example.spectrum.unknownExample EI Fragmentation Spectra
ExchangeableAmidesDetermine the Number of Backbone Amide Hydrogens
FlowTimeSolvent transit time.
FragmentPeptidePredict Peptide Fragment Ions
IsotopicDistributionIsotopic Distribution of an Organic Molecule.
IsotopicDistributionHDXIsotopic Distribution of a Peptide Undergoing H-D Exchange
IsotopicDistributionNIsotopic Distribution of a Nitrogen-15 Labeled Peptide.
ListFormulaConvert an Elemental Formula to a List
MolecularWeightCalculate the molecular weight of an organic molecule.
MonoisotopicMassCalculate the monoisotopic mass or monoisotopic m/z value of...
OrgMassSpecR-packageOrganic Mass Spectrometry
PeptideSpectrumPlot Annotated Peptide Fragmentation Mass Spectrum
ReadMspDirectoryRead in MSP Formatted Mass Spectra
ReadMspFileRead in a MSP Formatted Mass Spectrum
RetentionIndexNon-Isothermal Retention Index Calculation
SpectrumSimilaritySimilarity Between Two Mass Spectra
WriteMspFileWrite Spectra to the NIST MSP Text Format
OrgMassSpecR documentation built on May 31, 2017, 5 a.m.