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OrgMassSpecR (version 0.3-12)
Organic Mass Spectrometry
Description
Organic/biological mass spectrometry data analysis.
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Install
install.packages('OrgMassSpecR')
Monthly Downloads
405
Version
0.3-12
License
BSD
Maintainer
Nathan Dodder
Last Published
May 17th, 2012
Functions in OrgMassSpecR (0.3-12)
Search functions
FlowTime
Solvent transit time.
DeadVolume
Internal volume of tubing.
ConvertPeptide
Convert peptide sequence.
ExchangeableAmides
Determine the Number of Backbone Amide Hydrogens
example.chromatogram.single
Example Chromatograms
IsotopicDistributionHDX
Isotopic Distribution of a Peptide Undergoing H-D Exchange
MonoisotopicMass
Calculate the monoisotopic mass or monoisotopic m/z value of an organic molecule.
DrawChromatogram
Plot a Chromatogram
PeptideSpectrum
Plot Annotated Peptide Fragmentation Mass Spectrum
example.sequence
Human Serum Albumin Amino Acid Sequence
IsotopicDistributionN
Isotopic Distribution of a Nitrogen-15 Labeled Peptide.
ListFormula
Convert an Elemental Formula to a List
example.spectrum.unknown
Example EI Fragmentation Spectra
IsotopicDistribution
Isotopic Distribution of an Organic Molecule.
MolecularWeight
Calculate the molecular weight of an organic molecule.
ReadMspDirectory
Read in MSP Formatted Mass Spectra
FragmentPeptide
Predict Peptide Fragment Ions
example.spectrum.peptide
Example Peptide Fragmentation Spectrum
ReadMspFile
Read in a MSP Formatted Mass Spectrum
OrgMassSpecR-package
Organic/Biological Mass Spectrometry
RetentionIndex
Non-Isothermal Retention Index Calculation
example.spectrum.labeled
Example MALDI-TOF Spectrum of Nitrogen-15 Labeled Peptide
ConvertConcentration
Convert Concentration Basis
SpectrumSimilarity
Similarity Between Two Mass Spectra
WriteMspFile
Write Spectra to the NIST MSP Text Format
Digest
Predict Peptides Resulting from Enzymatic Digest