Prediction of Collision-Induced Dissociation Spectra of Common N-Glycopeptides for Glycoform Identification
Confident identification of the glycan moieties in glycopeptides by collision-induced dissociation (CID) requires accurate prediction of the CID spectrum of the glycopeptides. In this Article, the kinetic model for the prediction of peptide CID spectra is extended to predict the CID spectra of N-gly...
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| Veröffentlicht in: | Analytical chemistry (Washington) 2010-12, Vol.82 (24), p.10194-10202 |
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| creator | Zhang, Zhongqi Shah, Bhavana |
| description | Confident identification of the glycan moieties in glycopeptides by collision-induced dissociation (CID) requires accurate prediction of the CID spectrum of the glycopeptides. In this Article, the kinetic model for the prediction of peptide CID spectra is extended to predict the CID spectra of N-glycopeptides. The model was trained with 1831 ion-trap CID spectra of N-glycopeptides and is able to predict ion-trap CID spectra with excellent accuracy in ion intensities for N-glycopeptides up to 8000 u in mass. A total of 524 common glycoforms including complex N-glycans with 2−4 antennas, plus high-mannose type and hybrid type, can be predicted. |
| doi_str_mv | 10.1021/ac102359u |
| format | Article |
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In this Article, the kinetic model for the prediction of peptide CID spectra is extended to predict the CID spectra of N-glycopeptides. The model was trained with 1831 ion-trap CID spectra of N-glycopeptides and is able to predict ion-trap CID spectra with excellent accuracy in ion intensities for N-glycopeptides up to 8000 u in mass. A total of 524 common glycoforms including complex N-glycans with 2−4 antennas, plus high-mannose type and hybrid type, can be predicted.</description><identifier>ISSN: 0003-2700</identifier><identifier>EISSN: 1520-6882</identifier><identifier>DOI: 10.1021/ac102359u</identifier><identifier>PMID: 21090765</identifier><identifier>CODEN: ANCHAM</identifier><language>eng</language><publisher>Washington, DC: American Chemical Society</publisher><subject>Aminoacids, peptides. Hormones. Neuropeptides ; Analytical chemistry ; Analytical, structural and metabolic biochemistry ; Biological and medical sciences ; Fundamental and applied biological sciences. 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Chem</addtitle><description>Confident identification of the glycan moieties in glycopeptides by collision-induced dissociation (CID) requires accurate prediction of the CID spectrum of the glycopeptides. In this Article, the kinetic model for the prediction of peptide CID spectra is extended to predict the CID spectra of N-glycopeptides. The model was trained with 1831 ion-trap CID spectra of N-glycopeptides and is able to predict ion-trap CID spectra with excellent accuracy in ion intensities for N-glycopeptides up to 8000 u in mass. A total of 524 common glycoforms including complex N-glycans with 2−4 antennas, plus high-mannose type and hybrid type, can be predicted.</description><subject>Aminoacids, peptides. Hormones. Neuropeptides</subject><subject>Analytical chemistry</subject><subject>Analytical, structural and metabolic biochemistry</subject><subject>Biological and medical sciences</subject><subject>Fundamental and applied biological sciences. Psychology</subject><subject>Glycopeptides - analysis</subject><subject>Glycosylation</subject><subject>Ions</subject><subject>Kinetics</subject><subject>Lectins - analysis</subject><subject>Molecular Weight</subject><subject>Peptides</subject><subject>Polysaccharides - analysis</subject><subject>Proteins</subject><subject>Reaction kinetics</subject><subject>Spectrum Analysis - methods</subject><subject>Sugar</subject><issn>0003-2700</issn><issn>1520-6882</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2010</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNpl0MFu1DAQBmALgejScuAFUISEUA-hYzu2k2O1QLtSBUjAOfKOJ5JLEgc7OfTta3a3Xak9jT36PB79jL3j8JmD4BcWc5GqWV6wFVcCSl3X4iVbAYAshQE4YW9SugXgHLh-zU4EhwaMViv292ck53H2YSxCV6xD3_uUL-VmdAuSK774lAJ6uxO_JsI52r0chtz5Xl71dxgmmmbvKBVdiMWukw9DsXE0zr7zuHt-xl51tk_09lBP2Z9vX3-vr8ubH1eb9eVNaaXhc2lQOalIIGlUYEBzErWG2liHkhqrSTpJWldUka4UbbdbIRwqq6ywZKQ8ZZ_2c6cY_i2U5nbwCanv7UhhSW3N6wqkqZosPzyRt2GJY16urSvdCK14ldH5HmEMKUXq2in6wca7lkP7P__2Mf9s3x8GLtuB3KN8CDyDjwdgE9q-i3ZEn45OGtnUqjk6i-m41PMP7wEOrJmo</recordid><startdate>20101215</startdate><enddate>20101215</enddate><creator>Zhang, Zhongqi</creator><creator>Shah, Bhavana</creator><general>American Chemical Society</general><scope>IQODW</scope><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7QF</scope><scope>7QO</scope><scope>7QQ</scope><scope>7SC</scope><scope>7SE</scope><scope>7SP</scope><scope>7SR</scope><scope>7TA</scope><scope>7TB</scope><scope>7TM</scope><scope>7U5</scope><scope>7U7</scope><scope>7U9</scope><scope>8BQ</scope><scope>8FD</scope><scope>C1K</scope><scope>F28</scope><scope>FR3</scope><scope>H8D</scope><scope>H8G</scope><scope>H94</scope><scope>JG9</scope><scope>JQ2</scope><scope>KR7</scope><scope>L7M</scope><scope>L~C</scope><scope>L~D</scope><scope>P64</scope><scope>7X8</scope></search><sort><creationdate>20101215</creationdate><title>Prediction of Collision-Induced Dissociation Spectra of Common N-Glycopeptides for Glycoform Identification</title><author>Zhang, Zhongqi ; Shah, Bhavana</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a371t-7c5d35e2ce6c507061e286087adc3e9a6e3d3e664e4e645ebbb22dc5a5a2ae733</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2010</creationdate><topic>Aminoacids, peptides. Hormones. Neuropeptides</topic><topic>Analytical chemistry</topic><topic>Analytical, structural and metabolic biochemistry</topic><topic>Biological and medical sciences</topic><topic>Fundamental and applied biological sciences. Psychology</topic><topic>Glycopeptides - analysis</topic><topic>Glycosylation</topic><topic>Ions</topic><topic>Kinetics</topic><topic>Lectins - analysis</topic><topic>Molecular Weight</topic><topic>Peptides</topic><topic>Polysaccharides - analysis</topic><topic>Proteins</topic><topic>Reaction kinetics</topic><topic>Spectrum Analysis - methods</topic><topic>Sugar</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Zhang, Zhongqi</creatorcontrib><creatorcontrib>Shah, Bhavana</creatorcontrib><collection>Pascal-Francis</collection><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>Aluminium Industry Abstracts</collection><collection>Biotechnology Research Abstracts</collection><collection>Ceramic Abstracts</collection><collection>Computer and Information Systems Abstracts</collection><collection>Corrosion Abstracts</collection><collection>Electronics & Communications Abstracts</collection><collection>Engineered Materials Abstracts</collection><collection>Materials Business File</collection><collection>Mechanical & Transportation Engineering Abstracts</collection><collection>Nucleic Acids Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Toxicology Abstracts</collection><collection>Virology and AIDS Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Environmental Sciences and Pollution Management</collection><collection>ANTE: Abstracts in New Technology & Engineering</collection><collection>Engineering Research Database</collection><collection>Aerospace Database</collection><collection>Copper Technical Reference Library</collection><collection>AIDS and Cancer Research Abstracts</collection><collection>Materials Research Database</collection><collection>ProQuest Computer Science Collection</collection><collection>Civil Engineering Abstracts</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>Computer and Information Systems Abstracts Academic</collection><collection>Computer and Information Systems Abstracts Professional</collection><collection>Biotechnology and BioEngineering Abstracts</collection><collection>MEDLINE - Academic</collection><jtitle>Analytical chemistry (Washington)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Zhang, Zhongqi</au><au>Shah, Bhavana</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Prediction of Collision-Induced Dissociation Spectra of Common N-Glycopeptides for Glycoform Identification</atitle><jtitle>Analytical chemistry (Washington)</jtitle><addtitle>Anal. Chem</addtitle><date>2010-12-15</date><risdate>2010</risdate><volume>82</volume><issue>24</issue><spage>10194</spage><epage>10202</epage><pages>10194-10202</pages><issn>0003-2700</issn><eissn>1520-6882</eissn><coden>ANCHAM</coden><abstract>Confident identification of the glycan moieties in glycopeptides by collision-induced dissociation (CID) requires accurate prediction of the CID spectrum of the glycopeptides. In this Article, the kinetic model for the prediction of peptide CID spectra is extended to predict the CID spectra of N-glycopeptides. The model was trained with 1831 ion-trap CID spectra of N-glycopeptides and is able to predict ion-trap CID spectra with excellent accuracy in ion intensities for N-glycopeptides up to 8000 u in mass. A total of 524 common glycoforms including complex N-glycans with 2−4 antennas, plus high-mannose type and hybrid type, can be predicted.</abstract><cop>Washington, DC</cop><pub>American Chemical Society</pub><pmid>21090765</pmid><doi>10.1021/ac102359u</doi><tpages>9</tpages></addata></record> |
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| subjects | Aminoacids, peptides. Hormones. Neuropeptides Analytical chemistry Analytical, structural and metabolic biochemistry Biological and medical sciences Fundamental and applied biological sciences. Psychology Glycopeptides - analysis Glycosylation Ions Kinetics Lectins - analysis Molecular Weight Peptides Polysaccharides - analysis Proteins Reaction kinetics Spectrum Analysis - methods Sugar |
| title | Prediction of Collision-Induced Dissociation Spectra of Common N-Glycopeptides for Glycoform Identification |
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