Discovery of Quasi-Molecular Ions in Electrospray Spectra by Automated Searching for Simultaneous Adduct Mass Differences

Discovery of Quasi-Molecular Ions in Electrospray Spectra by Automated Searching for Simultaneous Adduct Mass Differences

Our high-throughput flow injection analysis mass spectrometry (FIA-MS) system using electrospray ionization steers the majority of ion current into quasi molecular ion and adduct m/z positions. One advantage of this dawned on us, i.e., that adducted electrospray spectra are amenable to automated qua...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Analytical chemistry (Washington) 1999-12, Vol.71 (24), p.5557-5562
Hauptverfasser: Görlach, Ekkehard, Richmond, Ramsay
Format: Artikel
Sprache:eng
Schlagworte:
Chemistry
Ions
Molecules
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
container_end_page 5562
container_issue 24
container_start_page 5557
container_title Analytical chemistry (Washington)
container_volume 71
creator Görlach, Ekkehard
Richmond, Ramsay
description Our high-throughput flow injection analysis mass spectrometry (FIA-MS) system using electrospray ionization steers the majority of ion current into quasi molecular ion and adduct m/z positions. One advantage of this dawned on us, i.e., that adducted electrospray spectra are amenable to automated quasi molecular ion discovery by searching for the simultaneous occurrence of adduct mass differences. Therefore, an adduct scanning algorithm was developed, given a graphical user interface, and then incorporated into a Visual Basic application originally developed for reporting of high-throughput FIA-MS results.
doi_str_mv 10.1021/ac9904011
format Article
fullrecord <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_journals_217846015</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>47373410</sourcerecordid><originalsourceid>FETCH-LOGICAL-a322t-ce27c59dc1af39952972a98b27e385e4b655070a9a9f327302b4b4d62845d0123</originalsourceid><addsrcrecordid>eNpl0E1PwzAMBuAIgcQYHPgHERIHDgUnbZrmOO0DkIZg2rhwidw0hcLWjKRF9N9TNAQHTpatR7b8EnLK4JIBZ1dolIIEGNsjAyY4RGmW8X0yAIA44hLgkByF8Aq9AJYOSDepgnEf1nfUlXTRYqiiO7e2pl2jp7euDrSq6bQfNN6FrceOLrffDdK8o6O2cRtsbEGXFr15qepnWjpPl9WmXTdYW9cGOiqK1jT0DkOgk6osrbe1seGYHJS4Dvbkpw7J42y6Gt9E8_vr2_FoHmHMeRMZy6URqjAMy1gpwZXkqLKcSxtnwiZ5KgRIQIWqjLmMgedJnhQpzxJRAOPxkJzt9m69e29taPSra33dn9ScySxJgYkeXeyQ6b8M3pZ666sN-k4z0N_B6t9gexvtbBUa-_kL0b_pVMZS6NXDUs9nfHXNnlK96P35zqMJf7f_7_0CuCiFoA</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>217846015</pqid></control><display><type>article</type><title>Discovery of Quasi-Molecular Ions in Electrospray Spectra by Automated Searching for Simultaneous Adduct Mass Differences</title><source>ACS Publications</source><creator>Görlach, Ekkehard ; Richmond, Ramsay</creator><creatorcontrib>Görlach, Ekkehard ; Richmond, Ramsay</creatorcontrib><description>Our high-throughput flow injection analysis mass spectrometry (FIA-MS) system using electrospray ionization steers the majority of ion current into quasi molecular ion and adduct m/z positions. One advantage of this dawned on us, i.e., that adducted electrospray spectra are amenable to automated quasi molecular ion discovery by searching for the simultaneous occurrence of adduct mass differences. Therefore, an adduct scanning algorithm was developed, given a graphical user interface, and then incorporated into a Visual Basic application originally developed for reporting of high-throughput FIA-MS results.</description><identifier>ISSN: 0003-2700</identifier><identifier>EISSN: 1520-6882</identifier><identifier>DOI: 10.1021/ac9904011</identifier><identifier>CODEN: ANCHAM</identifier><language>eng</language><publisher>Washington: American Chemical Society</publisher><subject>Chemistry ; Ions ; Molecules</subject><ispartof>Analytical chemistry (Washington), 1999-12, Vol.71 (24), p.5557-5562</ispartof><rights>Copyright © 1999 American Chemical Society</rights><rights>Copyright American Chemical Society Dec 15, 1999</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-a322t-ce27c59dc1af39952972a98b27e385e4b655070a9a9f327302b4b4d62845d0123</citedby><cites>FETCH-LOGICAL-a322t-ce27c59dc1af39952972a98b27e385e4b655070a9a9f327302b4b4d62845d0123</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://pubs.acs.org/doi/pdf/10.1021/ac9904011$$EPDF$$P50$$Gacs$$H</linktopdf><linktohtml>$$Uhttps://pubs.acs.org/doi/10.1021/ac9904011$$EHTML$$P50$$Gacs$$H</linktohtml><link.rule.ids>314,776,780,2751,27055,27903,27904,56716,56766</link.rule.ids></links><search><creatorcontrib>Görlach, Ekkehard</creatorcontrib><creatorcontrib>Richmond, Ramsay</creatorcontrib><title>Discovery of Quasi-Molecular Ions in Electrospray Spectra by Automated Searching for Simultaneous Adduct Mass Differences</title><title>Analytical chemistry (Washington)</title><addtitle>Anal. Chem</addtitle><description>Our high-throughput flow injection analysis mass spectrometry (FIA-MS) system using electrospray ionization steers the majority of ion current into quasi molecular ion and adduct m/z positions. One advantage of this dawned on us, i.e., that adducted electrospray spectra are amenable to automated quasi molecular ion discovery by searching for the simultaneous occurrence of adduct mass differences. Therefore, an adduct scanning algorithm was developed, given a graphical user interface, and then incorporated into a Visual Basic application originally developed for reporting of high-throughput FIA-MS results.</description><subject>Chemistry</subject><subject>Ions</subject><subject>Molecules</subject><issn>0003-2700</issn><issn>1520-6882</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1999</creationdate><recordtype>article</recordtype><recordid>eNpl0E1PwzAMBuAIgcQYHPgHERIHDgUnbZrmOO0DkIZg2rhwidw0hcLWjKRF9N9TNAQHTpatR7b8EnLK4JIBZ1dolIIEGNsjAyY4RGmW8X0yAIA44hLgkByF8Aq9AJYOSDepgnEf1nfUlXTRYqiiO7e2pl2jp7euDrSq6bQfNN6FrceOLrffDdK8o6O2cRtsbEGXFr15qepnWjpPl9WmXTdYW9cGOiqK1jT0DkOgk6osrbe1seGYHJS4Dvbkpw7J42y6Gt9E8_vr2_FoHmHMeRMZy6URqjAMy1gpwZXkqLKcSxtnwiZ5KgRIQIWqjLmMgedJnhQpzxJRAOPxkJzt9m69e29taPSra33dn9ScySxJgYkeXeyQ6b8M3pZ666sN-k4z0N_B6t9gexvtbBUa-_kL0b_pVMZS6NXDUs9nfHXNnlK96P35zqMJf7f_7_0CuCiFoA</recordid><startdate>19991215</startdate><enddate>19991215</enddate><creator>Görlach, Ekkehard</creator><creator>Richmond, Ramsay</creator><general>American Chemical Society</general><scope>BSCLL</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></search><sort><creationdate>19991215</creationdate><title>Discovery of Quasi-Molecular Ions in Electrospray Spectra by Automated Searching for Simultaneous Adduct Mass Differences</title><author>Görlach, Ekkehard ; Richmond, Ramsay</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a322t-ce27c59dc1af39952972a98b27e385e4b655070a9a9f327302b4b4d62845d0123</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1999</creationdate><topic>Chemistry</topic><topic>Ions</topic><topic>Molecules</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Görlach, Ekkehard</creatorcontrib><creatorcontrib>Richmond, Ramsay</creatorcontrib><collection>Istex</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 &amp; Communications Abstracts</collection><collection>Engineered Materials Abstracts</collection><collection>Materials Business File</collection><collection>Mechanical &amp; 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 &amp; 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><jtitle>Analytical chemistry (Washington)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Görlach, Ekkehard</au><au>Richmond, Ramsay</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Discovery of Quasi-Molecular Ions in Electrospray Spectra by Automated Searching for Simultaneous Adduct Mass Differences</atitle><jtitle>Analytical chemistry (Washington)</jtitle><addtitle>Anal. Chem</addtitle><date>1999-12-15</date><risdate>1999</risdate><volume>71</volume><issue>24</issue><spage>5557</spage><epage>5562</epage><pages>5557-5562</pages><issn>0003-2700</issn><eissn>1520-6882</eissn><coden>ANCHAM</coden><abstract>Our high-throughput flow injection analysis mass spectrometry (FIA-MS) system using electrospray ionization steers the majority of ion current into quasi molecular ion and adduct m/z positions. One advantage of this dawned on us, i.e., that adducted electrospray spectra are amenable to automated quasi molecular ion discovery by searching for the simultaneous occurrence of adduct mass differences. Therefore, an adduct scanning algorithm was developed, given a graphical user interface, and then incorporated into a Visual Basic application originally developed for reporting of high-throughput FIA-MS results.</abstract><cop>Washington</cop><pub>American Chemical Society</pub><doi>10.1021/ac9904011</doi><tpages>6</tpages></addata></record>
fulltext fulltext
identifier ISSN: 0003-2700
ispartof Analytical chemistry (Washington), 1999-12, Vol.71 (24), p.5557-5562
issn 0003-2700
1520-6882
language eng
recordid cdi_proquest_journals_217846015
source ACS Publications
subjects Chemistry
Ions
Molecules
title Discovery of Quasi-Molecular Ions in Electrospray Spectra by Automated Searching for Simultaneous Adduct Mass Differences
url https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-26T23%3A54%3A34IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Discovery%20of%20Quasi-Molecular%20Ions%20in%20Electrospray%20Spectra%20by%20Automated%20Searching%20for%20Simultaneous%20Adduct%20Mass%20Differences&rft.jtitle=Analytical%20chemistry%20(Washington)&rft.au=G%C3%B6rlach,%20Ekkehard&rft.date=1999-12-15&rft.volume=71&rft.issue=24&rft.spage=5557&rft.epage=5562&rft.pages=5557-5562&rft.issn=0003-2700&rft.eissn=1520-6882&rft.coden=ANCHAM&rft_id=info:doi/10.1021/ac9904011&rft_dat=%3Cproquest_cross%3E47373410%3C/proquest_cross%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=217846015&rft_id=info:pmid/&rfr_iscdi=true