Research Article

Combining desorption electrospray ionization mass spectrometry and nuclear magnetic resonance for differential metabolomics without sample preparation

  1. Huanwen Chen,
  2. Zhengzheng Pan,
  3. Nari Talaty,
  4. Daniel Raftery*,
  5. R. Graham Cooks*

Article first published online: 20 APR 2006

DOI: 10.1002/rcm.2474

Issue

Rapid Communications in Mass Spectrometry

Rapid Communications in Mass Spectrometry

Volume 20, Issue 10, pages 1577–1584, 30 May 2006

Additional Information

How to Cite

Chen, H., Pan, Z., Talaty, N., Raftery, D. and Cooks, R. G. (2006), Combining desorption electrospray ionization mass spectrometry and nuclear magnetic resonance for differential metabolomics without sample preparation. Rapid Communications in Mass Spectrometry, 20: 1577–1584. doi: 10.1002/rcm.2474

Author Information

  1. Department of Chemistry, Purdue University, West Lafayette, IN 47907, USA

*Department of Chemistry, Purdue University, West Lafayette, IN 47907, USA.

Publication History

  1. Issue published online: 20 APR 2006
  2. Article first published online: 20 APR 2006
  3. Manuscript Revised: 10 MAR 2006
  4. Manuscript Accepted: 10 MAR 2006
  5. Manuscript Received: 8 JAN 2006

Funded by

  • Prosolia, Inc., Indianapolis, IN
  • NIH/NIGMS. Grant Number: 5R01 GM58008-07
  • NIH Roadmap Initiative on Metabolomics Technology. Grant Number: NIH/NIDDK 3 R21 DK070290-01

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Abstract

Desorption electrospray ionization mass spectrometry (DESI-MS) and nuclear magnetic resonance (NMR) spectroscopy are used to provide data on urine examined without sample preparation to allow differentiation between diseased (lung cancer) and healthy mice. Principal component analysis (PCA) is used to shortlist compounds with potential for biomarker screening which are responsible for significant differences between control urine samples and samples from diseased animals. Similar PCA score plots have been achieved by DESI-MS and NMR, using a subset of common detected metabolites. The common compounds detected by DESI and NMR have the same changes in sign of their concentrations thereby indicating the usefulness of corroborative analytical methods. The effects of different solvents and surfaces on the DESI mass spectra are also evaluated and optimized. Over 80 different metabolites were successfully identified by DESI-MS and tandem mass spectrometry experiments, with no prior sample preparation. Copyright © 2006 John Wiley & Sons, Ltd.

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