ConvertConcentration    Convert Concentration Basis
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
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.
ListFormula             Convert an Elemental Formula to a List
MolecularWeight         Calculate the molecular weight of an organic
                        molecule.
MonoisotopicMass        Calculate the monoisotopic mass or monoisotopic
                        m/z value of an organic molecule.
OrgMassSpecR-package    Organic Mass Spectrometry
PeptideSpectrum         Plot Annotated Peptide Fragmentation Mass
                        Spectrum
ReadMspDirectory        Read in MSP Formatted Mass Spectra
ReadMspFile             Read in a MSP Formatted Mass Spectrum
RetentionIndex          Non-Isothermal Retention Index Calculation
SpectrumSimilarity      Similarity Between Two Mass Spectra
WriteMspFile            Write Spectra to the NIST MSP Text Format
example.chromatogram.single
                        Example Chromatograms
example.sequence        Human Serum Albumin Amino Acid Sequence
example.spectrum.labeled
                        Example MALDI-TOF Spectrum of Nitrogen-15
                        Labeled Peptide
example.spectrum.peptide
                        Example Peptide Fragmentation Spectrum
example.spectrum.unknown
                        Example EI Fragmentation Spectra
