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mums2  

Microbial Ecology by Tandem Mass Spectrometry
View on CRAN: Click here


Download and install mums2 package within the R console
Install from CRAN:
install.packages("mums2")

Install from Github:
library("remotes")
install_github("cran/mums2")

Install by package version:
library("remotes")
install_version("mums2", "0.1.0")



Attach the package and use:
library("mums2")
Maintained by
Patrick Schloss
[Scholar Profile | Author Map]
All associated links for this package
First Published: 2026-06-29
Latest Update: 2026-06-29
Description:
Tools that researchers can use to analyze untargeted metabolomics data generated using tandem mass spectroscopy from microbial communities. The overall approach taken to analyze metabolomics data parallels that used to analyze microbial communities using 16S rRNA gene sequencing data. Thus, we have a number of methods a user is able to use to generate data. Firstly, users can import Mass Spectrometry 1(MS1) data and filter it. Users are then able to match Mass Spectrometry 2(MS2) data to the filtered (or unfiltered) MS1 data. With the matched data users are able to cluster it, annotate it, predict de novo chemical formulas and calculate alpha and beta diversity. For chemical formula predictions, this was the method used; "Towards de novo identification of metabolites by analyzing tandem mass spectra" (Sebastian Böcker, Florian Rasche (2008) <doi:10.1093/bioinformatics/btn270>). The similarity/dissimilarity calculations we used to cluster our data together was: "Spectral entropy outperforms MS/MS dot product similarity for small-molecule compound identification" (Li, Y., Kind, T., Folz, J. et al. (2021) <doi:10.1038/s41592-021-01331-z>) and "Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking" (Wang, M., Carver, J., Phelan, V. et al. (2021) <doi:10.1038/nbt.3597>).
How to cite:
Patrick Schloss (2026). mums2: Microbial Ecology by Tandem Mass Spectrometry. R package version 0.1.0, https://cran.r-project.org/web/packages/mums2. Accessed 12 Sep. 2026.
Previous versions and publish date:
(2026-07-09 06:33), 0.1.0 (2026-06-10 10:10)
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Complete documentation for mums2
Functions, R codes and Examples using the mums2 R package
Full mums2 package functions and examples
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