Creating a searchable chromatographic database with the NIST mass spectral search program

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dc.contributor.authorCody, Robert B.
dc.contributor.authorSparkman, O. David
dc.contributor.authorMoore, Hannah
dc.date.accessioned2022-03-24T12:33:00Z
dc.date.available2022-03-24T12:33:00Z
dc.date.issued2022-03-09
dc.description.abstractThe NIST Mass Spectral Search Program can be used to create a searchable database of chromatograms. This approach was tested for a small database of chromatograms for gin volatiles and for a database of insect cuticular hydrocarbons with retention times and reconstructed total ion current chromatographic peak areas substituted for m/z values and abundance. The In-source HiRes Identity search permitted matching of randomly selected chromatograms against the database with good results. This approach is not intended to replace commercial software for chromatographic database management as it does not address the problems of chromatographic alignment or chromatographic deconvolution, but it does provide a method to manage a simple chromatographic database if other options are not available.en_UK
dc.identifier.citationCody RB, Sparkman OD, Moore H. (2022) Creating a searchable chromatographic database with the NIST mass spectral search program, Journal of The American Society for Mass Spectrometry, Volume 33, Issue 4, April 2022, pp. 740-743en_UK
dc.identifier.eissn1879-1123
dc.identifier.issn1044-0305
dc.identifier.urihttps://doi.org/10.1021/jasms.2c00016
dc.identifier.urihttp://dspace.lib.cranfield.ac.uk/handle/1826/17679
dc.language.isoenen_UK
dc.publisherACSen_UK
dc.rightsAttribution-NonCommercial 4.0 International*
dc.rights.urihttp://creativecommons.org/licenses/by-nc/4.0/*
dc.titleCreating a searchable chromatographic database with the NIST mass spectral search programen_UK
dc.typeArticleen_UK

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