User profiles for Pieter C. Dorrestein

Pieter C Dorrestein

UCSD
Verified email at ucsd.edu
Cited by 63226

Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking

…, A Lamsa, C Zhang, K Dorrestein… - Nature …, 2016 - nature.com
The potential of the diverse chemistries present in natural products (NP) for biotechnology
and medicine remains untapped because NP databases are not searchable with raw data …

Feature-based molecular networking in the GNPS analysis environment

…, T Alexandrov, N Bandeira, M Wang, PC Dorrestein - Nature …, 2020 - nature.com
Molecular networking has become a key method to visualize and annotate the chemical space
in non-targeted mass spectrometry data. We present feature-based molecular networking …

Systematic classification of unknown metabolites using high-resolution fragmentation mass spectra

…, D Petras, WH Gerwick, J Rousu, PC Dorrestein… - Nature …, 2021 - nature.com
Metabolomics using nontargeted tandem mass spectrometry can detect thousands of molecules
in a biological sample. However, structural molecule annotation is limited to structures …

Reproducible, interactive, scalable and extensible microbiome data science using QIIME 2

…, EK Cope, R Da Silva, C Diener, PC Dorrestein… - Nature …, 2019 - nature.com
To the Editor—Rapid advances in DNA-sequencing and bioinformatics technologies in the
past two decades have substantially improved understanding of the microbial world. This …

Mass spectral molecular networking of living microbial colonies

…, J Laskin, N Bandeira, PC Dorrestein - Proceedings of the …, 2012 - National Acad Sciences
Integrating the governing chemistry with the genomics and phenotypes of microbial colonies
has been a “holy grail” in microbiology. This work describes a highly sensitive, broadly …

SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information

…, AA Aksenov, AV Melnik, M Meusel, PC Dorrestein… - Nature …, 2019 - nature.com
Mass spectrometry is a predominant experimental technique in metabolomics and related
fields, but metabolite structural elucidation remains highly challenging. We report SIRIUS 4 ( …

Global chemical effects of the microbiome include new bile-acid conjugations

…, RM Evans, V Nizet, R Knight, PC Dorrestein - Nature, 2020 - nature.com
A mosaic of cross-phylum chemical interactions occurs between all metazoans and their
microbiomes. A number of molecular families that are known to be produced by the microbiome …

Integrative analysis of multimodal mass spectrometry data in MZmine 3

…, A Jeibmann, H Hayen, U Karst, PC Dorrestein… - Nature …, 2023 - nature.com
Innovation in mass spectrometry (MS) and the rapidly increasing throughput and sensitivity of
MS instrumentation require adaptations and innovations in data processing tools. Here, we …

Molecular networking as a dereplication strategy

…, HM Debonsi, WH Gerwick, PC Dorrestein - Journal of natural …, 2013 - ACS Publications
A major goal in natural product discovery programs is to rapidly dereplicate known entities
from complex biological extracts. We demonstrate here that molecular networking, an …

Mass spectrometry-based metabolomics in microbiome investigations

…, AK Jarmusch, PC Dorrestein - Nature Reviews …, 2022 - nature.com
Microbiotas are a malleable part of ecosystems, including the human ecosystem. Microorganisms
affect not only the chemistry of their specific niche, such as the human gut, but also the …