# Experimental Core

> **NIH NIH U2C** · BATTELLE PACIFIC NORTHWEST LABORATORIES · 2020 · $354,655

## Abstract

EXPERIMENTAL CORE SUMMARY
More than 99% of known metabolites and chemicals cannot be identified in metabolomics studies because no reference
materials or data exist for them. Therefore, a large number of metabolites remain unidentified, while a limited number of
metabolites are identified repeatedly. The inclusion of many features that probe the molecular structure of metabolites,
which can be consistently measured experimentally and accurately predicted computationally, is crucial for the success of
any compound identification approach that transcends the paradigmatic-use of reference standards. We plan to utilize ion
mobility-mass spectrometry (IM-MS), with tandem mass spectrometry (MS/MS), to provide quantitative measures of the
shape and chemistry of molecules to characterize and identify molecules that otherwise are indistinguishable by current
approaches. The Experimental Core will facilitate a transition past the need for reference standards by providing
experimental validation of predicted molecular properties and computational models, experimental validation of a multi-
property compound identification algorithm, and dissemination of data and SOPs for best utilization of experimental
measurements and calculated molecular properties. This work is significant because it, in concert with a complementary
Computational Core, supports the development of a new, paradigm-shifting metabolomics analytical methodology that
greatly expands the number of biologically relevant compounds that can be quickly identified in metabolomics studies. This
work is innovative because it implements accurate and reproducible measurement of multiple molecular properties, employs
flexible measurement platforms and readily transferable protocols, and provides an next-generation IM-MS analysis
platform.

## Key facts

- **NIH application ID:** 9968356
- **Project number:** 5U2CES030170-03
- **Recipient organization:** BATTELLE PACIFIC NORTHWEST LABORATORIES
- **Principal Investigator:** RICHARD D SMITH
- **Activity code:** U2C (R01, R21, SBIR, etc.)
- **Funding institute:** NIH
- **Fiscal year:** 2020
- **Award amount:** $354,655
- **Award type:** 5
- **Project period:** — → —

## Primary source

NIH RePORTER: https://reporter.nih.gov/project-details/9968356

## Citation

> US National Institutes of Health, RePORTER application 9968356, Experimental Core (5U2CES030170-03). Retrieved via AI Analytics 2026-05-22 from https://api.ai-analytics.org/grant/nih/9968356. Licensed CC0.

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