MaConDa

Release 1.0, September 2012
- The first official release of MaConDa.

If you use MaConDa in your work, please cite:
Ralf J. M. Weber, Eva Li, Jonathan Bruty, Shan He & Mark R. Viant (2012). MaConDa: a publicly accessible Mass spectrometry Contaminants Database. Bioinformatics, doi:10.1093/bioinformatics/bts527.

We thank both the British Heart Foundation (PG/10/036/28341) and UK Engineering and Physical Sciences Research Council (EP/J501414/1) for support, as well as the University of Birmingham’s Systems Science for Health initiative.

We gratefully thank our colleagues and instrument manufacturers who provided us with experimental MS contaminant data.

• David Watson at the University of Strathclyde
• John Draper at Aberystwyth University
• John Langley at the University of Southampton
• John Newman at the University of California Davis
• Warwick Dunn at the University of Manchester
• William Griffiths at Swansea University

• Thermo Fisher Scientific
• Bruker Daltonics

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Colorado State University, Detergents and mass spectrometry. http://www.pmf.colostate.edu/proteomics_submission.html.

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Genium Chapter 9 - Laboratory Contamination. http://www.genium.com/pdf/iidlab.pdf.

Gibson, C. R., & Brown, C. M. (2003). Identification of diethylene glycol monobutyl ether as a source of contamination in an ion trap mass spectrometer. Journal of the American Society for Mass Spectrometry, 14(11), 1247-1249, doi:10.1016/s1044-0305(03)00534-8.

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Keller, B. O., Suj, J., Young, A. B., & Whittal, R. M. (2008). Interferences and contaminants encountered in modern mass spectrometry. Analytica Chimica Acta, 627(1), 71-81, doi:10.1016/j.aca.2008.04.043.

Langley, G. J. Positive ESI Contaminant Peaks. http://www.southampton.ac.uk/~gjl/esi+contamination.html.

Mahn, B. (2005). Notes on Troubleshooting LC/MS contmaination. http://www.abrf.org/index.cfm/list.msg/66994.

Manier, M. L., Cornett, D. S., Hachey, D. L., & Caprioli, R. M. (2008). Identification of dimethyldioctadecylammonium ion (m/z 550.6) and related species (m/z 522.6, 494.6) as a source of contamination in mass spectrometry. J Am Soc Mass Spectrom, 19(5), 666-670, doi:10.1016/j.jasms.2008.01.015.

McDonald, G. R., Hudson, A. L., Dunn, S. M. J., You, H. T., Baker, G. B., Whittal, R. M., et al. (2008). Bioactive Contaminants Leach from Disposable Laboratory Plasticware. Science, 322(5903), 917-917, doi:10.1126/science.1162395.

Mei, H., Hsieh, Y., Nardo, C., Xu, X., Wang, S., Ng, K., et al. (2003). Investigation of matrix effects in bioanalytical high-performance liquid chromatography/tandem mass spectrometric assays: application to drug discovery. Rapid Commun Mass Spectrom, 17(1), 97-103, doi:10.1002/rcm.876.

NewObjective Common Background Ions for Electrospray (Positive Ion). http://www.newobjective.com/downloads/technotes/PV-3.pdf.

Sachon, E., Matheron, L., Clodic, G., Blasco, T., & Bolbach, G. (2010). MALDI TOF-TOF characterization of a light stabilizer polymer contaminant from polypropylene or polyethylene plastic test tubes. J Mass Spectrom, 45(1), 43-50, doi:10.1002/jms.1687.

Scheltema, R. A., Kamleh, A., Wildridge, D., Ebikeme, C., Watson, D. G., Barrett, M. P., et al. (2008). Increasing the mass accuracy of high-resolution LC-MS data using background ions: a case study on the LTQ-Orbitrap. Proteomics, 8(22), 4647-4656, doi:10.1002/pmic.200800314.

Schlosser, A., & Volkmer-Engert, R. (2003). Volatile polydimethylcyclosiloxanes in the ambient laboratory air identified as source of extreme background signals in nanoelectrospray mass spectrometry. Journal of Mass Spectrometry, 38(5), 523-525, doi:10.1002/jms.465.

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Stanford_University Commonly observed ESI contaminant, polymer & cluster peaks. http://mass-spec.stanford.edu/assets/SUMS_common_ESI_ions.pdf.

Tong, H., Bell, D., Tabei, K., & Siegel, M. M. (1999). Automated data massaging, interpretation, and E-mailing modules for high throughput open access mass spectrometry. Journal of the American Society for Mass Spectrometry, 10(11), 1174-1187, doi:10.1016/s1044-0305(99)00090-2.

Tran, J. C., & Doucette, A. A. (2006). Cyclic polyamide oligomers extracted from nylon 66 membrane filter disks as a source of contamination in liquid chromatography/mass spectrometry. Journal of the American Society for Mass Spectrometry, 17(5), 652-656, doi:10.1016/j.jasms.2006.01.008.

Trotzmuller, M., Guo, X. H., Fauland, A., Kofeler, H., & Lankmayr, E. (2011). Characteristics and origins of common chemical noise ions in negative ESI LC-MS. Journal of Mass Spectrometry, 46(6), 553-560, doi:10.1002/jms.1924.

Tsumura, Y., Ishimitsu, S., Kaihara, A., Yoshii, K., & Tonogai, Y. (2002). Phthalates, adipates, citrate and some of the other plasticizers detected in Japanese retail foods: a survey. Journal of Health Science, 48(6), 493-502, doi:10.1248/jhs.48.493.

University of Alberta Table A: Commonly Observed Background Ions in ESI. http://www.chem.ualberta.ca/~massspec/es_ions.pdf.

University of Bristol Mass spectrometry resource - solvents. http://www.chm.bris.ac.uk/ms/departmental/solvents.html.

Verge, K. M., & Agnes, G. R. (2002). Plasticizer contamination from vacuum system o-rings in a quadrupole ion trap mass spectrometer. Journal of the American Society for Mass Spectrometry, 13(8), 901-905, doi:10.1016/s1044-0305(02)00386-0.

Waters - Controlling contamination in UltraPerformance LC/MS and HPLC/MS systems. http://www.waters.com/webassets/cms/support/docs/715001307d_cntrl_cntm.pdf.

Waters - ESI+ Common Background Ions. http://www.waters.com/webassets/cms/support/docs/bkgrnd_ion_mstr_list.pdf.

Xia, Y. Q., Patel, S., Bakhtiar, R., Franklin, R. B., & Doss, G. A. (2005). Identification of a new source of interference leached from polypropylene tubes in mass-selective analysis. Journal of the American Society for Mass Spectrometry, 16(3), 417-421, doi:10.1016/j.jasms.2004.11.020.

Xu, Z., Gartia, M. R., Choi, C. J., Jiang, J., Chen, Y., Cunningham, B. T., et al. (2011). Quick detection of contaminants leaching from polypropylene centrifuge tubes with surface-enhanced Raman spectroscopy and ultraviolet absorption spectroscopy. Journal of Raman Spectroscopy, 42(11), 1939-1944, doi:10.1002/jrs.2950.

Zhu, J. H., & Cole, R. B. (2000). Formation and decompositions of chloride adduct ions, M+Cl (-), in negative ion electrospray ionization mass spectrometry. Journal of the American Society for Mass Spectrometry, 11(11), 932-941, doi:10.1016/s1044-0305(00)00164-1.