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OrgMassSpecR (version 0.5-3)
Organic Mass Spectrometry
Description
Organic/biological mass spectrometry data analysis.
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0.5-3
0.5-2
0.4-6
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Install
install.packages('OrgMassSpecR')
Monthly Downloads
405
Version
0.5-3
License
BSD_2_clause + file LICENSE
Maintainer
Nathan Dodder
Last Published
August 13th, 2017
Functions in OrgMassSpecR (0.5-3)
Search functions
FlowTime
Solvent transit time.
FragmentPeptide
Predict Peptide Fragment Ions
IsotopicDistributionN
Isotopic Distribution of a Nitrogen-15 Labeled Peptide.
ListFormula
Convert an Elemental Formula to a List
example.sequence
Human Serum Albumin Amino Acid Sequence
example.spectrum.labeled
Example MALDI-TOF Spectrum of Nitrogen-15 Labeled Peptide
ConvertConcentration
Convert Concentration Basis
ConvertPeptide
Convert peptide sequence.
OrgMassSpecR-package
Organic Mass Spectrometry
PeptideSpectrum
Plot Annotated Peptide Fragmentation Mass Spectrum
DeadVolume
Internal volume of tubing.
Digest
Predict Peptides Resulting from Enzymatic Digest
ReadMspDirectory
Read in MSP Formatted Mass Spectra
ReadMspFile
Read in a MSP Formatted Mass Spectrum
DrawChromatogram
Plot a Chromatogram
ExchangeableAmides
Determine the Number of Backbone Amide Hydrogens
WriteMspFile
Write Spectra to the NIST MSP Text Format
example.chromatogram.single
Example Chromatograms
RetentionIndex
Non-Isothermal Retention Index Calculation
SpectrumSimilarity
Similarity Between Two Mass Spectra
IsotopicDistribution
Isotopic Distribution of an Organic Molecule.
IsotopicDistributionHDX
Isotopic Distribution of a Peptide Undergoing H-D Exchange
MolecularWeight
Calculate the molecular weight of an organic molecule.
MonoisotopicMass
Calculate the monoisotopic mass or monoisotopic m/z value of an organic molecule.
example.spectrum.peptide
Example Peptide Fragmentation Spectrum
example.spectrum.unknown
Example EI Fragmentation Spectra