Method for isomer discrimination by tandem mass spectrometry

Systems and method for mass spectrometry are presented. In one embodiment, a method comprises: (a) acquiring one or more fragmentation signatures for a reference sample, wherein each fragmentation signature of the reference sample is acquired with a unique tandem mass spectrometry mode; (b) identify...

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Hauptverfasser: Staples Gregory, Satulovsky Javier E, Bynum Magdalena Anna
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creator Staples Gregory
Satulovsky Javier E
Bynum Magdalena Anna
description Systems and method for mass spectrometry are presented. In one embodiment, a method comprises: (a) acquiring one or more fragmentation signatures for a reference sample, wherein each fragmentation signature of the reference sample is acquired with a unique tandem mass spectrometry mode; (b) identifying one or more discriminate features across the plurality of fragmentation signatures of the reference sample; (c) acquiring one or more fragmentation signatures for an unknown sample, wherein each fragmentation signature of the unknown sample is acquired according to the discriminant features of step (b); (d) identifying one or more discriminate features across the plurality of fragmentation signatures of the unknown sample; (e) scoring the fragmentation signatures of step (c) by comparing the discriminate features of the reference sample, from step (b), against the discriminate features of the unknown sample, from step (d); and (f) identifying a structural isomer based on the score of step (e).
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In one embodiment, a method comprises: (a) acquiring one or more fragmentation signatures for a reference sample, wherein each fragmentation signature of the reference sample is acquired with a unique tandem mass spectrometry mode; (b) identifying one or more discriminate features across the plurality of fragmentation signatures of the reference sample; (c) acquiring one or more fragmentation signatures for an unknown sample, wherein each fragmentation signature of the unknown sample is acquired according to the discriminant features of step (b); (d) identifying one or more discriminate features across the plurality of fragmentation signatures of the unknown sample; (e) scoring the fragmentation signatures of step (c) by comparing the discriminate features of the reference sample, from step (b), against the discriminate features of the unknown sample, from step (d); and (f) identifying a structural isomer based on the score of step (e).</description><language>eng</language><subject>BASIC ELECTRIC ELEMENTS ; CALCULATING ; COMPUTING ; COUNTING ; ELECTRIC DIGITAL DATA PROCESSING ; ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS ; ELECTRICITY ; PHYSICS</subject><creationdate>2016</creationdate><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://worldwide.espacenet.com/publicationDetails/biblio?FT=D&amp;date=20161227&amp;DB=EPODOC&amp;CC=US&amp;NR=9530633B2$$EHTML$$P50$$Gepo$$Hfree_for_read</linktohtml><link.rule.ids>230,308,776,881,25544,76293</link.rule.ids><linktorsrc>$$Uhttps://worldwide.espacenet.com/publicationDetails/biblio?FT=D&amp;date=20161227&amp;DB=EPODOC&amp;CC=US&amp;NR=9530633B2$$EView_record_in_European_Patent_Office$$FView_record_in_$$GEuropean_Patent_Office$$Hfree_for_read</linktorsrc></links><search><creatorcontrib>Staples Gregory</creatorcontrib><creatorcontrib>Satulovsky Javier E</creatorcontrib><creatorcontrib>Bynum Magdalena Anna</creatorcontrib><title>Method for isomer discrimination by tandem mass spectrometry</title><description>Systems and method for mass spectrometry are presented. 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subjects BASIC ELECTRIC ELEMENTS
CALCULATING
COMPUTING
COUNTING
ELECTRIC DIGITAL DATA PROCESSING
ELECTRIC DISCHARGE TUBES OR DISCHARGE LAMPS
ELECTRICITY
PHYSICS
title Method for isomer discrimination by tandem mass spectrometry
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