Man pages for OrgMassSpecR
Organic Mass Spectrometry
| ConvertConcentration | Convert Concentration Basis |
| ConvertPeptide | Convert peptide sequence. |
| DeadVolume | Internal volume of tubing. |
| Digest | Predict Peptides Resulting from Enzymatic Digest |
| DrawChromatogram | Plot a Chromatogram |
| 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 |
| 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... |
| 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 |
