Automated deconvolution and deisotoping of electrospray mass spectra. Export

@article{citeulike:2898665, abstract = {Electrospray ionization (ESI) of peptides and proteins produces a series of multiply charged ions with a mass/charge (m/z) ratio between 500 and 2000. The resulting mass spectra are crowded by these multiple charge values for each molecular mass and an isotopic cluster for each nominal m/z value. Here, we report a new algorithm simultaneously to deconvolute and deisotope ESI mass spectra from complex peptide samples based on their mass-dependent isotopic mean pattern. All signals corresponding to one peptide in the sample were reduced to one singly charged monoisotopic peak, thereby significantly reducing the number of signals, increasing the signal intensity and improving the signal-to-noise ratio. The mass list produced could be used directly for database searching. The developed algorithm also simplified interpretation of fragment ion spectra of multiply charged parent ions.}, address = {Biologisch-Medizinisches Forschungszentrum (BMFZ), Heinrich-Heine-Universit\"{a}t, D-40255 D\"{u}sseldorf, Germany}, author = {Wehofsky, Marco and Hoffmann, Ralf}, citeulike-article-id = {2898665}, citeulike-linkout-0 = {http://dx.doi.org/10.1002/jms.278}, citeulike-linkout-1 = {http://view.ncbi.nlm.nih.gov/pubmed/11857767}, citeulike-linkout-2 = {http://www.hubmed.org/display.cgi?uids=11857767}, citeulike-linkout-3 = {http://www3.interscience.wiley.com/cgi-bin/abstract/90010527/ABSTRACT}, doi = {10.1002/jms.278}, issn = {1076-5174}, journal = {Journal of mass spectrometry : JMS}, keywords = {isotope-cluster-modeling, mass-spectrometry, nopdf, peak-detection, proteomics}, month = {February}, number = {2}, pages = {223--229}, posted-at = {2008-06-16 14:16:54}, priority = {2}, title = {Automated deconvolution and deisotoping of electrospray mass spectra.}, url = {http://dx.doi.org/10.1002/jms.278}, volume = {37}, year = {2002} }

TY - JOUR ID - citeulike:2898665 L3 - citeulike-article-id:2898665 N2 - Electrospray ionization (ESI) of peptides and proteins produces a series of multiply charged ions with a mass/charge (m/z) ratio between 500 and 2000. The resulting mass spectra are crowded by these multiple charge values for each molecular mass and an isotopic cluster for each nominal m/z value. Here, we report a new algorithm simultaneously to deconvolute and deisotope ESI mass spectra from complex peptide samples based on their mass-dependent isotopic mean pattern. All signals corresponding to one peptide in the sample were reduced to one singly charged monoisotopic peak, thereby significantly reducing the number of signals, increasing the signal intensity and improving the signal-to-noise ratio. The mass list produced could be used directly for database searching. The developed algorithm also simplified interpretation of fragment ion spectra of multiply charged parent ions. IS - 2 JF - Journal of mass spectrometry : JMS SN - 1076-5174 AD - Biologisch-Medizinisches Forschungszentrum (BMFZ), Heinrich-Heine-Universität, D-40255 Düsseldorf, Germany EP - 229 TI - Automated deconvolution and deisotoping of electrospray mass spectra. VL - 37 SP - 223 KW - isotope-cluster-modeling KW - mass-spectrometry KW - nopdf KW - peak-detection KW - proteomics AU - Wehofsky, Marco AU - Hoffmann, Ralf PY - 2002/02// UR - http://dx.doi.org/10.1002/jms.278 ER -