{
  "@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 Simón-Manso, Published paper: DOI: 10.1002/rcm.7475"
}