{"@type": "dcat:Dataset", "accessLevel": "public", "accrualPeriodicity": "irregular", "bureauCode": ["006:55"], "contactPoint": {"fn": "William E. Wallace III", "hasEmail": "mailto:william.wallace@nist.gov"}, "description": "Liquid-chromatography-mass spectrometry (LC-MS) raw data sets from various instruments delivered in their native instrument format.  31 files in all.  7.5 GB data.", "distribution": [{"accessURL": "http://chemdata.nist.gov/dokuwiki/doku.php?id=chemdata:srm1950raw", "description": "Analysis of  SRM 1950 across several LC/MS platforms ? following the same sample preparation procedures. These included different liquid chromatography separations (conventional HPLC, UHPLC and nanoLC) and different mass spectrometers (Q-TOF and Orbitrap).", "format": "Agilent Technologies and Thermo Scientific raw data files", "mediaType": "text/html", "title": "Raw LC-MS/MS Data of Standard Reference Material 1950, Metabolites in Human Plasma"}, {"accessURL": "https://doi.org/10.18434/t4k88d", "description": "DOI access to Raw data files that were used in writing \"Analysis of human plasma metabolites across different liquid chromatography/mass spectrometry platforms: Cross-platform transferable chemical signatures\"", "title": "DOI Access to Raw data files that were used in writing 'Analysis of human plasma meta...'"}, {"accessURL": "https://dx.doi.org/10.18434/T4K88D", "description": "Analysis of  NIST Standard Reference Material 1950 across several LC/MS platforms following the same sample preparation procedures. These included different liquid chromatography separations (conventional HPLC, UHPLC and nanoLC) and different mass spectrometers (Q-TOF and Orbitrap).", "format": "Agilent Technologies and Thermo Scientific raw data files", "title": "Raw LC-MS/MS Data of Standard Reference Material 1950, Metabolites in Human Plasma"}, {"description": "Analysis of  NIST Standard Reference Material 1950 across several LC/MS platforms following the same sample preparation procedures. These included different liquid chromatography separations (conventional HPLC, UHPLC and nanoLC) and different mass spectrometers (Q-TOF and Orbitrap).", "downloadURL": "https://opendata.nist.gov/1458_Telu_human_plasma_metabolites.zip", "format": "Agilent Technologies and Thermo Scientific raw data files", "mediaType": "application/zip", "title": "Zipped file of Telu human plasma metabolites data"}, {"description": "SHA-256 hash for verification of zipped data", "downloadURL": "https://opendata.nist.gov/1458_Telu_human_plasma_metabolites.zip.sha256", "format": "SHA-256 hash of zipped data file", "mediaType": "text/plain", "title": "SHA-256 hash of zipped data for Telu human plasma metabolites"}], "identifier": "333921C30B07D332E0531A5706812AD51458", "keyword": ["SRM 1950", "human blood plasma", "liquid chromatography", "mass spectrometry", "metabolomics"], "landingPage": "http://chmdatafnx.chemref-838.nist.gov/dokuwiki/doku.php?id=chemdata:srm1950raw", "language": ["en"], "license": "https://www.nist.gov/open/license", "modified": "2016-05-20 00:00:00", "programCode": ["006:045"], "publisher": {"@type": "org:Organization", "name": "National Institute of Standards and Technology"}, "references": ["https://dx.doi.org/10.1002/rcm.7475"], "theme": ["Chemistry:Analytical chemistry", "Chemistry:Molecular characterization", "Health:Clinical diagnostics", "Standards:Reference materials"], "title": "Raw data files that were used in writing \"Analysis of human plasma metabolites across different liquid chromatography/mass spectrometry platforms: Cross-platform transferable chemical signatures\" by Kelly H. Telu, Xinjian Yan, William E. Wallace, Stephen E. Stein and Yamil Sim\u00f3n-Manso, Published paper: DOI: 10.1002/rcm.7475"}