Molecular Formula Prediction for Chemical Filtering of 3D OrbiSIMS Datasets-Reference-Cited by-同舟云学术

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Molecular Formula Prediction for Chemical Filtering of 3D OrbiSIMS Datasets

Published:2022-03-11 Issue:11 Volume:94 Page:4703-4711
ISSN:0003-2700
Container-title:Analytical Chemistry
language:en
Short-container-title:Anal. Chem.

Author:

Edney Max K.¹^ORCID,Kotowska Anna M.²,Spanu Matteo¹,Trindade Gustavo F.²³,Wilmot Edward⁴,Reid Jacqueline⁴,Barker Jim⁴,Aylott Jonathan W.²^ORCID,Shard Alexander G.³^ORCID,Alexander Morgan R.²^ORCID,Snape Colin E.¹,Scurr David J.²^ORCID

Affiliation:

1. Department of Chemical and Environmental Engineering, University of Nottingham, Nottingham NG7 2RD, U.K.

2. School of Pharmacy, University of Nottingham, Nottingham NG7 2RD, U.K.

3. National Physical Laboratory, Hampton Road, Teddington, Middlesex TW11 0LW, U.K.

4. Innospec Ltd., Oil Sites Road, Ellesmere Port, Cheshire CH65 4EY, U.K.

Funder

Engineering and Physical Sciences Research Council

Publisher

American Chemical Society (ACS)

Subject

Analytical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.analchem.1c04898

Reference20 articles.

1. Highly Accurate Chemical Formula Prediction Tool Utilizing High-Resolution Mass Spectra, MS/MS Fragmentation, Heuristic Rules, and Isotope Pattern Matching

2. MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data

3. Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry

4. Interactive van Krevelen diagrams - Advanced visualisation of mass spectrometry data of complex mixtures

5. Petroleomics: Chemistry of the underworld

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