Replicate Gas Chromatography Mass Spectrometry Data of Seized Drug Standards
This dataset contains replicate extracted mass spectra of 330+ drug standards collected using gas chromatography electron ionization mass spectrometry (GC-EI-MS). There are ten replicate mass spectra for each compound - five spectra collected on two different instruments - in .csv files. Also included are pdf's of mass spectral heat maps for each compound. See the readme file for more information.
Resources
2 resources available
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Spectra and Heatmaps
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File structure and contents information
DOCX
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Complete Metadata
| @type | dcat:Dataset |
|---|---|
| accessLevel | public |
| accrualPeriodicity | irregular |
| bureauCode |
[ "006:55" ] |
| contactPoint |
{ "fn": "Edward Sisco", "hasEmail": "mailto:edward.sisco@nist.gov" } |
| description | This dataset contains replicate extracted mass spectra of 330+ drug standards collected using gas chromatography electron ionization mass spectrometry (GC-EI-MS). There are ten replicate mass spectra for each compound - five spectra collected on two different instruments - in .csv files. Also included are pdf's of mass spectral heat maps for each compound. See the readme file for more information. |
| distribution |
[ { "title": "Spectra and Heatmaps", "mediaType": "application/x-zip-compressed", "description": "A zipped folder containing all mass spectra (.csv file format) and mass spectral heat maps (.pdf file format). See the Readme.docx file for more information and for information on file naming structure.", "downloadURL": "https://data.nist.gov/od/ds/mds2-4060/SpectraAndFigures.zip" }, { "title": "File structure and contents information", "mediaType": "application/vnd.openxmlformats-officedocument.wordprocessingml.document", "description": "Detailed information on the contents and file naming structure within the attached zipped folder.", "downloadURL": "https://data.nist.gov/od/ds/mds2-4060/ReadMe.docx" } ] |
| identifier | ark:/88434/mds2-4060 |
| issued | 2026-04-30 |
| keyword |
[ "Drugs", "GC-MS", "Mass Spectra" ] |
| landingPage | https://data.nist.gov/od/id/mds2-4060 |
| language |
[ "en" ] |
| license | https://www.nist.gov/open/license |
| modified | 2026-04-20 00:00:00 |
| programCode |
[ "006:045" ] |
| publisher |
{ "name": "National Institute of Standards and Technology", "@type": "org:Organization" } |
| theme |
[ "Forensics:Drugs and toxicology" ] |
| title | Replicate Gas Chromatography Mass Spectrometry Data of Seized Drug Standards |
