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OrgMassSpecR (version 0.4-3)
Organic Mass Spectrometry
Description
Organic/biological mass spectrometry data analysis.
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Install
install.packages('OrgMassSpecR')
Monthly Downloads
405
Version
0.4-3
License
BSD_2_clause + file LICENSE
Maintainer
Nathan Dodder
Last Published
March 30th, 2014
Functions in OrgMassSpecR (0.4-3)
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ConvertConcentration
Convert Concentration Basis
Digest
Predict Peptides Resulting from Enzymatic Digest
DrawChromatogram
Plot a Chromatogram
FlowTime
Solvent transit time.
example.spectrum.peptide
Example Peptide Fragmentation Spectrum
IsotopicDistribution
Isotopic Distribution of an Organic Molecule.
ReadMspDirectory
Read in MSP Formatted Mass Spectra
ReadMspFile
Read in a MSP Formatted Mass Spectrum
ListFormula
Convert an Elemental Formula to a List
MonoisotopicMass
Calculate the monoisotopic mass or monoisotopic m/z value of an organic molecule.
WriteMspFile
Write Spectra to the NIST MSP Text Format
IsotopicDistributionHDX
Isotopic Distribution of a Peptide Undergoing H-D Exchange
example.spectrum.labeled
Example MALDI-TOF Spectrum of Nitrogen-15 Labeled Peptide
example.chromatogram.single
Example Chromatograms
OrgMassSpecR-package
Organic Mass Spectrometry
FragmentPeptide
Predict Peptide Fragment Ions
example.spectrum.unknown
Example EI Fragmentation Spectra
PeptideSpectrum
Plot Annotated Peptide Fragmentation Mass Spectrum
ConvertPeptide
Convert peptide sequence.
RetentionIndex
Non-Isothermal Retention Index Calculation
ExchangeableAmides
Determine the Number of Backbone Amide Hydrogens
DeadVolume
Internal volume of tubing.
SpectrumSimilarity
Similarity Between Two Mass Spectra
MolecularWeight
Calculate the molecular weight of an organic molecule.
IsotopicDistributionN
Isotopic Distribution of a Nitrogen-15 Labeled Peptide.
example.sequence
Human Serum Albumin Amino Acid Sequence