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OrgMassSpecR (version 0.4-3)

Organic Mass Spectrometry

Description

Organic/biological mass spectrometry data analysis.

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Version

Install

install.packages('OrgMassSpecR')

Monthly Downloads

500

Version

0.4-3

License

BSD_2_clause + file LICENSE

Maintainer

Nathan Dodder

Last Published

March 30th, 2014

Functions in OrgMassSpecR (0.4-3)

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