The Metabolomics Workbench is a public repository for metabolomics metadata and experimental data spanning various species and experimental platforms, metabolite standards, metabolite structures, protocols, tutorials and training material, and other educational resources. It is the home of the National Metabolomics Data Repository (NMDR). It provides a computational platform to deposit, integrate, track, analyze and disseminate large volumes of heterogeneous data from a wide variety of metabolomics studies including MS and NMR data covering all the major taxonomic categories including humans and other mammals, plants, insects, invertebrates, and microorganisms. The Metabolomics Workbench has developed a standardized nomenclature (RefMet) for naming metabolite species detected by analytical chemistry methods to promote and facilitate comparative analysis across multiple datasets. The Metabolomics Workbench, part of the data coordinating effort of the National Institute of Health (NIH) Common Fund’s Metabolomics Program, provides data and analysis tools to the global metabolomics community. This workshop will cover the use of the NMDR to submit, view, search and download data, various metabolomics-related databases and resources and also the analysis tools integrated with the NMDR.

The mission of the MANA Educational Resources Committee is creation, collection, curation, and dissemination of online educational resources, with particular attention to videos useful for training and videos from MANA event lectures. Simply put, our goal is to provide educational resources to the MANA community. With this interactive forum we hope to have a round-table discussion to gain knowledge from people and how they teach metabolomics. Some of the question we are asking are the following:
I. What is the best way to reach people?
II. What kind of assessments are appropriate to judge whether your teaching is effective?
III. What do you expect your students/participants to know before coming to the course?

We plan to seek expert recommendations from academia to industry. What we hope to gain from the forum is that we learn about recommendations on resources for instructors, PIs, our committee, etc. which can be provided to students and the MANA community.

This workshop will review and examine the current state of NMR-based metabolomics, from its achievements in various research fronts to aspects that require further research attentions. Expert discussions will cover NMR metabolomics studies, achieved in high field strength for different scientific disciplines using traditional solution and high resolution magic angle spinning NMR, as well metabolomics imaging with localized spectroscopy. Specific examples will be illustrated with various cancer studies. New NMR horizon of potential metabolomics measurements at extremely low magnetic field will be presented to introduce the concept of NMR metabolomics imaging beyond chemical shifts. Embracing the wholistic approach, connections between NMR and mass spectrometry (MS) based metabolomics will be discussed to demonstrate the combined strength in better metabolomics understanding. To further and standardize the field, quality assurance (QA) and quality control (QC) issues will be discussed with recommendations suggested, together with recommendations on metabolomics data statistical analyses to ensure the accuracy and reproducibility, and on data presentations to more effectively communicate with the larger scientific community

LC-MS Global Metabolomics with MetaboAnalyst 5.0
High-resolution LC-MS is now widely used for global or untargeted metabolomics. However, the associated data analytics remains challenging for most researchers entering the field. In this two-hour workshop, we will first cover the basic concepts involved in three common tasks: 1) raw spectra processing, 2) peak annotation and putative compound identification, and 3) functional interpretation; we will then introduce the underlying implementations for each task within MetaboAnalyst 5.0; finally, we will demonstrate a complete LC-MS global metabolomics workflow using a recent COVID-19 metabolomics dataset. To prepare for the workshop, audiences are expected to read our recent Natural Protocol

Metabolomics Precision Medicine Interest Group of MANA is proposing an interactive workshop (2 hours) that precedes MANA annual meeting to bring together experts from academia industry and government agencies to discuss advances and bottlenecks facing inclusion of metabolomics data in precision medicine initiatives.
Topics we propose to cover could include:
White Paper PM 2016, Community Perspective & Update
Scaling up Metabolic Profiling for PM - Progress and Technical Challenges to Overcome
Dried Blood Spots
Large initiatives in PM North America including All of Us Initiative -Precision Nutrition
Minimal Standards for Metabolomics Revisited

Applications of NMR face multiple challenges, including the limited supply and increasing cost of helium, funding limitations as agencies prioritize other instrumental modalities, and the challenges to in-person meetings and travel posed by Covid-19 and environmental concerns. Community responses to these issues will be discussed.

The interactive forum will provide attendees with the opportunity to see how metabolomics can be used to interpret the taste and aroma of different wines and beers. Attendees will taste/assess 4 different wines and at least one type of beer. NMR, GC and LC-MS data will then be shown for each type of beverage and the identified chemical components will be used to explain the olfactory and taste sensations. The forum is intended to be relaxing, fun and instructive.

The complexity of fecal samples and the additional complexity and variability of analytical platforms involved in their measurement result in significant barriers to measurement confidence. To date, only 10% of the metabolites in these samples can be identified. Due to the critical role that the gut microbiome plays in human health and disease, there is a need to develop reference materials to serve as ground truth to challenge some of the steps involved in the application of various analytical techniques. NIST is currently developing a fecal metabolite calibrant to improve confidence in these emerging metabolomic measurements. The proposed fecal metabolite calibrant reference material will be composed of 50 metabolites with known concentrations to challenge data acquisition, processing, and interpretation in metabolomics workflows. The primary goal of this forum is to determine the suitability of such material for the metabolomics community and identify additional issues requiring consideration to produce a fit-for-purpose standard that will improve the measurement process and increase confidence in results.

The goal for the MANA SODA initiative is to develop a community-driven effort that provides information on current software, datasets, and data analysis results. Our ultimate aim is to help new and seasoned metabolomics researchers navigate state-of-the art approaches to metabolomics data analysis. In the past year, our community has met bi-monthly through SODA Meets. During these meetings, data generators and computational scientists share their use(s) of software and data.
In this interactive workshop, our goal is to explore the needs for and uses of benchmarking data to help evaluate various methods and software programs. To accomplish this, we plan to collect and present feedback on the challenges encountered when creating and using public software and datasets. Our overall schedule will be as follows:
Hour 1: Introduction to SODA and its activities and guided, interactive survey/discussion on creating/using benchmarking datasets and developing software.
Hour 2: Presentation and discussion on the topic of benchmarking and closeout.