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InterpretMSSpectrum
View on CRAN: Click
here
Download and install InterpretMSSpectrum package within the R console
Install from CRAN:
install.packages("InterpretMSSpectrum")
Install from Github:
library("remotes")
install_github("cran/InterpretMSSpectrum") Install by package version:
library("remotes")
install_version("InterpretMSSpectrum", "1.5.2") Attach the package and use:
library("InterpretMSSpectrum")
Maintained by
Jan Lisec
[Scholar Profile | Author Map]
[Scholar Profile | Author Map]
All associated links for this package
First Published: 2016-09-06
Latest Update: 2024-01-31
Description:
High resolution mass spectrometry yields often large data sets of
spectra from compounds which are not present in available libraries. These
spectra need to be annotated and interpreted.
'InterpretMSSpectrum' provides a set of functions to perform such tasks for
Electrospray-Ionization and Atmospheric-Pressure-Chemical-Ionization derived
data in positive and negative ionization mode.
How to cite:
Jan Lisec (2016). InterpretMSSpectrum: Interpreting High Resolution Mass Spectra. R package version 1.5.2, https://cran.r-project.org/web/packages/InterpretMSSpectrum. Accessed 26 Aug. 2026.
Previous versions and publish date:
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Other R packages that InterpretMSSpectrum depends,
imports, suggests or enhances
Complete documentation for InterpretMSSpectrum
Functions, R codes and Examples using
the InterpretMSSpectrum R package
Some associated functions: Adducts . CountChemicalElements . GenerateMetaboliteSQLiteDB . GetGroupFactor . IMS_parallel . InterpretMSSpectrum . OrbiMS1 . PlausibleFormula . PlotSpec . apci_spectrum . chemical_elements . esi_spectrum . findMAIN . mScore . neutral_losses_APCI . neutral_losses_ESI . param.default . sendToMSF . writeMSF .
Some associated R codes: CountChemicalElements.R . DetermineIsomainPeaks.R . ExtractChemicalElements.R . GenerateMetaboliteSQLiteDB.R . GetGroupFactor.R . GetIsotopeDistribution.R . IMS_parallel.R . InterpretMSSpectrum.R . PlausibleFormula.R . PlotSpec.R . RestrictByTypicalLosses.R . ScoreFormulaCombination.R . data.R . findiso.R . getRuleFromIonSymbol.R . is.subformula.R . mScore.R . plot.findMAIN.R . print.findMAIN.R . summary.findMAIN.R . Full InterpretMSSpectrum package functions and examples
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