Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment
Robin Schmid, Daniel Petras, Louis-Félix Nothias-Scaglia, Mingxun Wang, Allegra T. Aron, Annika Jagels, Hiroshi Tsugawa, Johannes Rainer, Mar Garcia‐Aloy, Kai Dührkop, Ansgar Korf, Tomáš Pluskal · 2021
Read Ion identity molecular networking for mass spectrometry-based metabolomics in the GNPS environment by Robin Schmid, Daniel Petras, Louis-Félix Nothias-Scaglia, Mingxun Wang, Allegra T. Aron, Annika Jagels, Hiroshi Tsugawa, Johannes Rainer, Mar Garcia‐Aloy, Kai Dührkop, Ansgar Korf, Tomáš Pluskal (2021) in the Tower of Babel, a free online library of public-domain works preserved in clean, searchable text. No sign-up. The full text is served as a plain-text file at a predictable URL, where text is present: https://antarctic-labs.com/tower-of-babel/openalex-w3174482775.txt.
Description
Robin Schmid, Daniel Petras, Louis-Félix Nothias-Scaglia, and colleagues present a new data tool for chemistry in Nature Communications in 2021. Their field, metabolomics, identifies the small molecules in a sample from mass spectrometry data. One molecule can appear as several different ions, which often stay unconnected in the results and waste effort.
Their method, called Ion Identity Molecular Networking, links those ions back to one molecule. It joins the standard network built from fragmentation spectra with a new layer based on matching signal shapes. The tool runs inside the GNPS platform used by many labs. It should cut false leads and make molecule identification faster and more reliable.
Catalog record
| CREATOR | Robin Schmid, Daniel Petras, Louis-Félix Nothias-Scaglia, Mingxun Wang, Allegra T. Aron, Annika Jagels, Hiroshi Tsugawa, Johannes Rainer, Mar Garcia‐Aloy, Kai Dührkop, Ansgar Korf, Tomáš Pluskal |
|---|---|
| YEAR | 2021 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 78 KB |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | OpenAlex / Nature Communications |