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Displaying 1 - 10 of 10

Concordant inter-laboratory derived concentrations of ceramides in human plasma reference materials via authentic standards

October 3, 2024
Author(s)
Tracey Schock, Christina Jones, Federico Torta, Nils Hoffmann, Bo Burla, Irina Alecu, Makoto Arita, Takeshi Bamba, Steffany A.L. Bennett, Justine BERTRAND-MICHEL, Britta Brugger, Monica Molina, Maria Dolores Camacho Munoz, Antonio Checa, Michael Chen, Michelle Cinel, Benoit COLSCH, Cristina Coman, Bebiana Da Costa Sousa, Alex Dickens, Maria Maria, Finnur Freyr Eiriksson, Hector Gallart-Ayala, Mohan Ghorasaini, Martin Giera, Xue Guan, Mark Haid, Thomas Hankemeier, Amy Harms, Marcus Horing, Michal Holcapek, Thorsten Hornemann, Chunxiu Hu, Andreas Hulsmeier, Julijana Ivanisevic, Harald Kofeler, Sin Man Lam, Jong Cheol Lee, Gerhard Liebisch, Andrea F Lopez-Clavijo, Malena Manzi, Peter Meikle, Maria Monge, Sneha Muralidharan, Anna Nicolaou, Valerie O'Donnell, Matej Oresic, Arvind Ramanathan, Daisuke Saigusa, Heidi Schwartz-Zimmermann, Guanghou Shui, Masatomo Takahashi, Margret Thorsteinsdottir, Anthony Tournadre, Hiroshi Tsugawa, Victoria Tyrrell, Grace van der Gugten, Michael Wakelam, Craig Wheelock, Denise Wolrab, Guowang Xu, John Bowden, Kim Ekroos, Robert Ahrends, Markus Wenk
In this community effort, we compared measurements between 34 laboratories from 19 countries, utilizing mixtures of authentic synthetic standards, to quantify by mass spectrometry four ceramide species in the NIST human blood plasma Standard Reference

The Proteomics Standards Initiative standardized formats for spectral libraries and fragment ion peak annotations: mzSpecLib and mzPAF

August 5, 2024
Author(s)
Joshua Klein, Henry Lam, Tytus Mak, Wout Bittremieux, Yasset Perez-Riverol, Ralf Gabriels, Jim Shofstahl, Helge Hecht, Pierre-Alain Binz, Shin Kawano, Tim Van Den Bossche, Jeremy Carver, Ben Neely, Luis Mendoza, Tomi Suomi, Tine Claeys, Thomas Payne, Douwe Schulte, Zhi Sun, Nils Hoffmann, Yunping Zhu, Steffen Neumann, Andrew Jones, Nuno Bandeira, Juan Antonio Vizcaino, Eric Deutsch
Mass spectral libraries are collections of reference spectra, usually associated with specific analytes from which the spectra were generated, that are used for further downstream analysis of new spectra. There are many different formats used for encoding

Metabolomics 2023 Workshop Report: Moving Toward Consensus on Best QA/QC Practices in LC-MS-Based Untargeted Metabolomics

July 9, 2024
Author(s)
Tracey Schock, Jonathan Mosley, Warwick Dunn, Julia Kuligowski, Matthew Lewis, Maria Monge, Candice Ulmer Holland, Dajana Vuckovic, Krista Zanetti
Introduction: During the Metabolomics 2023 conference, the Metabolomics Quality Assurance and Quality Control Consortium (mQACC) presented a workshop focusing on key quality assurance and quality control (QA/QC) topic categories for LC-MS-based untargeted

Perspective: use and reuse of NMR-based metabolomics data: what works and what remains challenging

March 13, 2024
Author(s)
Tracey Schock, Goncalo Gouveia, Thomas Head, Leo L. Cheng, Chaevian Clendinen, John Cort, Xiuxia Du, Edison Arthur, Candace Fleischer, Jeffrey C. Hoch, Nathaniel Mercaldo, Wimal Pathmasiri, Daniel Raftery, Lloyd Sumner, Panteleimon Takis, Valerie Copie, Hamid R. Eghbalnia, Robert Powers
The National Cancer Institute (NCI) issued a Request for Information (RFI) in October 2022, soliciting input on using and reusing metabolomics data. This RFI aimed to seek input on best practices for metabolomics data storage, management, and use/reuse. In

Establishing a framework for best practices for quality assurance and quality control in untargeted metabolomics

February 12, 2024
Author(s)
Tracey Schock, Jonathan Mosley, Chris Beecher, Warwick Dunn, Julia Kuligowski, Matthew Lewis, Georgios Theodoridis, Candice Ulmer, Dajana Vuckovic, Ian Wilson, Krista Zanetti
Background: Quality assurance (QA) and quality control (QC) practices are key tenets that facilitate study and data quality across all applications of untargeted metabolomics. Such important practices will strengthen this field and accelerate its success

Best practices in NMR metabolomics: Current state

December 12, 2023
Author(s)
Tracey Schock, Amanda Bayless, Goncalo Gouveia, Robert Powers, Valerie Copie, John Cort, Hamid R. Eghbalnia, Wimal Pathmasiri, David S Wishart, Erik Andersson, Robert Brua, Leo Cheng, Chaevien Clendinen, Darcy Cochran, Alexandra Crook, Michah Jeppesen, Amith Maroli, Matthew Merritt, Heidi Roth, Isin Sakallioglu, Saurav Sarma, Lloyd Sumner, Panteleimon Takis, Mario Uchimiya
A literature survey was conducted to identify current practices used by NMR metabolomics investigators. A total of 463 papers from 2020 and 80 papers from 2010 were selected from PubMed. The papers were manually analyzed by a team of investigators to

Untargeted metabolomics analyses and contaminant chemistry of Dreissenid mussels at the Maumee River Area of Concern in the Great Lakes

November 22, 2023
Author(s)
Tracey Schock, Daniel Bearden, Fabio Casu, Michael Edwards, Annie Jacob, Edward Johnson, Amanda Bayless, Elena Legrand
Bivalves stand out as an ideal ecological indicator and have been the basis of NOAA's Mussel Watch Program to monitor environmental health. In this study, we aimed to investigate the health of the Dreissenid mussel in the Maumee River. In addition to the

Metabolomics 2022 Workshop Report: State of QA/QC Best Practices in LC-MS-Based Untargeted Metabolomics, Informed Through mQACC Community Engagement Initiatives

November 8, 2023
Author(s)
Tracey Schock, Warwick Dunn, Julia Kuligowski, Jonathan Mosley, Candice Ulmer Holland, Dajana Vuckovic
Introduction: The Metabolomics Quality Assurance and Quality Control Consortium (mQACC) organized a workshop during the Metabolomics 2022 conference. Objectives: The goal of the workshop was to disseminate recent findings from mQACC community-engagement

Enhancing untargeted metabolomics using metadata-based source annotation

July 7, 2022
Author(s)
Scott Jackson, Paulina Piotrowski, Nancy Lin, Sandra M. Da Silva, Katrice Lippa, Christina Jones, Stephanie Servetas, Julia Gauglitz, Kiana West, Wout Bittremieux, Candace Williams, Kelly Weldon, Morgan Panitchpakdi, Francesca Ottavio, Christine Aceves, Elizabeth Brown, Nicole Sikora, Alan Jarmusch, Cameron Martino, Pieter Dorrestein, Rob Knight, Rachel Dutton, Austin Swafford, Monica Guma, Norberto Peporine Lopes, Brigid Boland, Michelli Oliveira, Mark Manary, Maria Gloria Dominguez-Bello, Kenneth Wright, Julia Beauchamp-Walters, Kyung Rhee, Jae Kim, Megan Doty, Robert Terkeltaub, David Gonzalez, Curt Wittenberg, Tatyana Kalashnikova, Parambir Dulai, Douglas Galasko, Rima Kaddurah Daouk, Robert Mills, Paulo Louzada-Junior, Rene Donizeti Ribeiro Oliveira, Thaigo Mattar Cunha, Flavio Protaso Veras, Rodrigo Moreira Silva, Juliano Geraldo Amaral, Lucas Maciel Mauriz Marques, Barry Bradford, Lourdes Herrera, Gail Ackermann, Dana Withrow, Daniela Vargas Robles, Kate Sprecher, Clarisse Marotz, Mingxun Wang, Emmanuel Elijah, Dominic Nguyen, Qiyun Zhu, Daniel McDonald, Edgar Diaz, Pedro Belda-Ferre, Katharina Spengler, Abigail Johnson, Gregory Humphrey, MacKenzie Bryant, Tara Schwartz, Lindsay Goldasich, Fernando Vargas, Roxana Coras, Justin Schaffer, Erfan Sayyari, Kathleen Dorrestein, Michael Meehan, Anupriya Tripathi
Human untargeted metabolomics studies annotate only 10% of molecular features. We introduce reference-data-driven analysis to match metabolomics tandem mass spectrometry (MS/MS) data against metadata-annotated source data as a pseudo-MS/MS reference
Displaying 1 - 10 of 10