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enviPat specifications

Information


Unique identifier OMICS_02408
Name enviPat
Software type Package/Module
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux, Mac OS, Windows
Programming languages R
License GNU General Public License version 2.0
Computer skills Advanced
Version 2.2
Stability Stable
Source code URL https://cran.r-project.org/src/contrib/enviPat_2.2.tar.gz
Maintained Yes

Download


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Versioning


No version available

Documentation


Maintainer


  • person_outline Martin.Loos

Additional information


This application is also available as a web app: http://www.envipat.eawag.ch/index.php

Information


Unique identifier OMICS_02408
Name enviPat
Software type Application/Script
Interface Web user interface
Restrictions to use None
Input data A chemical formula.
Computer skills Basic
Version 2.2
Stability Stable
Maintained Yes

Versioning


No version available

Documentation


Maintainer


  • person_outline Martin.Loos

Additional information


This application is also available as a web app: http://www.envipat.eawag.ch/index.php

Publication for enviPat

enviPat citations

 (3)
library_books

Prediction, Detection, and Validation of Isotope Clusters in Mass Spectrometry Data

2016
PMCID: 5192443
PMID: 27775610
DOI: 10.3390/metabo6040037

[…] routine with mass–specific isotope cluster validation idrnewval. we simulate the mass and relative intensity of the monoisotopic peak and the first five isotope peaks of six substances with envipat [] in centroid mode with a resolution of 10,000, namely (i) aspartic acid which has a low mass and comprises only the elements chno (see for details); (ii) cysteine which has a low mass […]

library_books

Titanocene–Gold Complexes Containing N Heterocyclic Carbene Ligands Inhibit Growth of Prostate, Renal, and Colon Cancers in Vitro

2016
PMCID: 4863200
PMID: 27182101
DOI: 10.1021/acs.organomet.6b00051

[…] microlab inc. (us). mass spectra (electrospray ionization, esi-high resolution) were performed on a waters q-tof ultima instrument. the theoretical isotopic distributions have been calculated using envipat web 2.0.1. stability studies were performed in a cary 100 bio uv–visible spectrophotometer. the ph was measured in an oakton ph conductivity meter in 5 × 10–5 m 1/99 dmso/h2o solutions., […]

library_books

Reaction of pyranose dehydrogenase from Agaricus meleagris with its carbohydrate substrates

2015
PMCID: 4950071
PMID: 26284701
DOI: 10.1111/febs.13417

[…] was increased by 1.0080 da after ionization by methane as chemical reagent gas. the theoretical isotopologue fractions of derivatization product ions of mono‐ and diketo‐glc were calculated via envipat (http://www.envipat.eawag.ch/index.php). high‐resolution spectra of exthoxymation‐trimethylsilylation of mono‐ and diketo‐glc employing methane gas ionization are shown in fig. b. […]


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enviPat institution(s)
Eawag, Swiss Federal Institute for Aquatic Science and Technology, Dübendorf, Switzerland; Institute of Biogeochemistry and Pollutant Dynamics, ETH Zürich, Zürich, Switzerland; Department of Information and Computer Science, Aalto University, Espoo, Finland; Department of Teleinformatics Engineering, Federal University of Ceara, Fortaleza, Brazil
enviPat funding source(s)
Supported by the Swiss Federal Office for the Environments (FOEN) and the Swiss National Science Foundation (SNF).

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