Organic Mass Spectrometry

Documentation for package ‘OrgMassSpecR’ version 0.1-9

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