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OrgMassSpecR (version 0.3-5)
Organic Mass Spectrometry
Description
Organic/biological mass spectrometry data analysis.
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Install
install.packages('OrgMassSpecR')
Monthly Downloads
405
Version
0.3-5
License
BSD
Maintainer
Nathan Dodder
Last Published
August 26th, 2011
Functions in OrgMassSpecR (0.3-5)
Search functions
OrgMassSpecR-package
Organic/Biological Mass Spectrometry
IsotopicDistribution
Isotopic Distribution of an Organic Molecule.
MolecularWeight
Calculate the molecular weight of an organic molecule.
PeptideSpectrum
Plot Annotated Peptide Fragmentation Mass Spectrum
DrawChromatogram
Plot a Chromatogram
ReadMspFile
Read in a MSP Formatted Mass Spectrum
ConvertPeptide
Convert peptide sequence.
Digest
Predict Peptides Resulting from Enzymatic Digest
IsotopicDistributionN
Isotopic Distribution of a Nitrogen-15 Labeled Peptide.
ReadMspDirectory
Read in MSP Formatted Mass Spectra
DeadVolume
Internal volume of tubing.
example.spectrum.unknown
Example EI Fragmentation Spectra
example.sequence
Human Serum Albumin Amino Acid Sequence
ListFormula
Convert an Elemental Formula to a List
RetentionIndex
Non-Isothermal Retention Index Calculation
FragmentPeptide
Predict Peptide Fragment Ions
IsotopicDistributionHDX
Isotopic Distribution of a Peptide Undergoing H-D Exchange
ExchangeableAmides
Determine the Number of Backbone Amide Hydrogens
FlowTime
Solvent transit time.
example.spectrum.labeled
Example MALDI-TOF Spectrum of Nitrogen-15 Labeled Peptide
example.spectrum.peptide
Example Peptide Fragmentation Spectrum
MonoisotopicMass
Calculate the monoisotopic mass or monoisotopic m/z value of an organic molecule.
example.chromatogram.single
Example Chromatograms
SpectrumSimilarity
Similarity Between Two Mass Spectra