OrgMassSpecR-package | A Package for Organic/Biological Mass Spectrometry Calculations and Plots |
alanineAuthenticSpectrum | Example Fragmentation Spectra |
alanineUnknownSpectrum | Example Fragmentation Spectra |
chromatogramExample1 | Example Chromatograms |
chromatogramExample2 | Example Chromatograms |
ConvertPeptide | Convert peptide sequence. |
DeadVolume | Internal volume of tubing. |
Digest | Predict Peptides Resulting from Enzymatic Digest |
DrawChromatogram | Plot a Chromatogram |
ExchangeableAmides | Determine the Number of Backbone Amide Hydrogens |
FlowTime | Solvent transit time. |
FragmentPeptide | Predict Peptide Fragment Ions |
hsaSequence | Human Serum Albumin Amino Acid Sequence |
IsotopicDistribution | Isotopic Distribution of an Organic Molecule. |
IsotopicDistributionHDX | Isotopic Distribution of a Peptide Undergoing H-D Exchange |
IsotopicDistributionN | Isotopic Distribution of a Nitrogen-15 Labeled Peptide. |
maldiSpectrumYEVQGEVFTKPQLWP | Example MALDI-TOF Spectrum of Nitrogen-15 Labeled Peptide |
MolecularWeight | Calculate the molecular weight of an organic molecule. |
MonoisotopicMass | Calculate the monoisotopic mass or monoisotopic m/z value of an organic molecule. |
OrgMassSpecR | A Package for Organic/Biological Mass Spectrometry Calculations and Plots |
PeptideSpectrum | Plot Annotated Peptide Fragmentation Mass Spectrum |
qqqSpectrumNIDALSGMEGR | Example Peptide Fragmentation Spectrum |
SpectrumSimilarity | Similarity Between Two Mass Spectra |