Organic Mass Spectrometry


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Documentation for package ‘OrgMassSpecR’ version 0.1-9

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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