# A reproducible database for untargeted metabolomics data processing across laboratories

> **NIH NIH R01** · UNIVERSITY OF CALIFORNIA AT DAVIS · 2024 · $532,947

## Abstract

Project Summary
 Scientific teams led by Prof. Oliver Fiehn (UC Davis), Prof. Charles Evans (University of Michigan) and
Dr. Tom Metz (Pacific Northwest National Laboratory) will develop and validate a unified, cloud-based data
processing workflow and database for high resolution LC-MS/MS metabolomics and lipidomics data. This new
database, LC-BinBase, will serve as cornerstone to harmonize and standardize metabolomics data reports.
Through both experimental and computational robustness tests, we will show that different metabolomics
laboratories can generate consensus data sets if the same set of data acquisition methods are used, even if
instruments from different vendors are used.
 This work will lead the way for next-generation metabolomics, towards faster, more reproducible and
robust data processing that leads to standardized data reports and improved interpretability for biomedical
researchers. To this end, we will develop algorithms to apply LC-BinBase with calculated metabolite annotation
confidence scores for both hydrophilic interaction- and reversed phase chromatography, and for both QTOF
and orbital ion trap high resolution mass spectrometers. These confidence scores will be calculated from
deviations of probability distributions of experimental and predicted retention times, accurate masses, MS/MS
entropy similarity scores and ion mobility data. We will validate the usability of LC-BinBase reports for
biomedical researchers by interlaboratory comparison studies on diverse sets of mouse organs, plus different
cell types and biofluids. Data usability will be improved by a unified compound metadata list for all annotated
metabolites.
 We will organize events and workshops to invite the scientific community to beta-test LC-BinBase.

## Key facts

- **NIH application ID:** 10939147
- **Project number:** 1R01GM155383-01
- **Recipient organization:** UNIVERSITY OF CALIFORNIA AT DAVIS
- **Principal Investigator:** CHARLES ROBERT EVANS
- **Activity code:** R01 (R01, R21, SBIR, etc.)
- **Funding institute:** NIH
- **Fiscal year:** 2024
- **Award amount:** $532,947
- **Award type:** 1
- **Project period:** 2024-09-15 → 2028-07-31

## Primary source

NIH RePORTER: https://reporter.nih.gov/project-details/10939147

## Citation

> US National Institutes of Health, RePORTER application 10939147, A reproducible database for untargeted metabolomics data processing across laboratories (1R01GM155383-01). Retrieved via AI Analytics 2026-05-24 from https://api.ai-analytics.org/grant/nih/10939147. Licensed CC0.

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