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OrgMassSpecR (version 0.3-5)

Organic Mass Spectrometry

Description

Organic/biological mass spectrometry data analysis.

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Version

Install

install.packages('OrgMassSpecR')

Monthly Downloads

500

Version

0.3-5

License

BSD

Maintainer

Nathan Dodder

Last Published

August 26th, 2011

Functions in OrgMassSpecR (0.3-5)

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