The DOI matches its Crossref record; 21 of the 21 references it cites were found in a registry or an index.
CAMERA: An Integrated Strategy for Compound Spectra Extraction and Annotation of Liquid Chromatography/Mass Spectrometry Data Sets
Open accessAbstract
Liquid chromatography coupled to mass spectrometry is routinely used for metabolomics experiments. In contrast to the fairly routine and automated data acquisition steps, subsequent compound annotation and identification require extensive manual analysis and thus form a major bottleneck in data interpretation. Here we present CAMERA, a Bioconductor package integrating algorithms to extract compound spectra, annotate isotope and adduct peaks, and propose the accurate compound mass even in highly complex data. To evaluate the algorithms, we compared the annotation of CAMERA against a manually defined annotation for a mixture of known compounds spiked into a complex matrix at different concentrations. CAMERA successfully extracted accurate masses for 89.7% and 90.3% of the annotatable compounds in positive and negative ion modes, respectively. Furthermore, we present a novel annotation approach that combines spectral information of data acquired in opposite ion modes to further improve the annotation rate. We demonstrate the utility of CAMERA in two different, easily adoptable plant metabolomics experiments, where the application of CAMERA drastically reduced the amount of manual analysis.
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Near linear time algorithm to detect community structures in large-scale networks
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Highly sensitive feature detection for high resolution LC/MS
Tautenhahn, R., Böttcher, C., & Neumann, S. (2008) · BMC Bioinformatics · doi:10.1186/1471-2105-9-504 · Cited by 1,185
Self-citationOpenMS – An open-source software framework for mass spectrometry
Sturm, M., Bertsch, A., Gröpl, C., Hildebrandt, A., Hussong, R., Lange, E., Pfeifer, N., Schulz-Trieglaff, O., Zerck, A., Reinert, K., et al. (2008) · BMC Bioinformatics · doi:10.1186/1471-2105-9-163 · Cited by 644
Interferences and contaminants encountered in modern mass spectrometry
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Data processing for mass spectrometry-based metabolomics
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Self-citationPang, Z., Zhou, G., Ewald, J., Chang, L., Hacariz, O., Basu, N., & Xia, J. (2022) · Nature Protocols · doi:10.1038/s41596-022-00710-w · Cited by 1,444
Current approaches and challenges for the metabolite profiling of complex natural extracts
Wolfender, J.-L., Marti, G., Thomas, A., & Bertrand, S. (2015) · Journal of Chromatography A · doi:10.1016/j.chroma.2014.10.091 · Cited by 635
Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics
Dunn, W. B., Erban, A., Weber, R. J. M., Creek, D. J., Brown, M., Breitling, R., Hankemeier, T., Goodacre, R., Neumann, S., Kopka, J., et al. (2013) · Metabolomics · doi:10.1007/s11306-012-0434-4 · Cited by 555
Self-citationThe food metabolome: a window over dietary exposure
Scalbert, A., Brennan, L., Manach, C., Andres-Lacueva, C., Dragsted, L. O., Draper, J., Rappaport, S. M., van der Hooft, J. J., & Wishart, D. S. (2014) · The American Journal of Clinical Nutrition · doi:10.3945/ajcn.113.076133 · Cited by 519
Metadata
- Authors
- Kuhl, C., Tautenhahn, R., Böttcher, C., Larson, T. R., & Neumann, S.
- Venue
- Analytical Chemistry
- Publisher
- American Chemical Society (ACS)
- Published
- 2011-12-12
- Volume
- 84
- Issue
- 1
- Pages
- 283-289
- ISSN
- 0003-2700 (ISSN-L)
- 1520-6882
- OpenAlex
- W143096088
- Cited by
- 1,203
- References
- 21
- FWCI
- 12.11
- Type
- journal article
- Language
- en
- Open access
- green
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- Kuhl, C., Tautenhahn, R., Böttcher, C., Larson, T. R., & Neumann, S. (2012). CAMERA: An Integrated Strategy for Compound Spectra Extraction and Annotation of Liquid Chromatography/Mass Spectrometry Data Sets. Analytical Chemistry. https://doi.org/10.1021/ac202450g
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