{
    "identifier": "333921C30B07D332E0531A5706812AD51458",
    "accessLevel": "public",
    "references": [
        "https:\/\/dx.doi.org\/10.1002\/rcm.7475"
    ],
    "contactPoint": {
        "hasEmail": "mailto:william.wallace@nist.gov",
        "fn": "William E. Wallace III"
    },
    "programCode": [
        "006:045"
    ],
    "@type": "dcat:Dataset",
    "landingPage": "http:\/\/chmdatafnx.chemref-838.nist.gov\/dokuwiki\/doku.php?id=chemdata:srm1950raw",
    "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.",
    "language": [
        "en"
    ],
    "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",
    "distribution": [
        {
            "accessURL": "https:\/\/dx.doi.org\/10.18434\/T4K88D",
            "format": "Agilent Technologies and Thermo Scientific raw data files",
            "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).",
            "title": "Raw LC-MS\/MS Data of Standard Reference Material 1950, Metabolites in Human Plasma"
        },
        {
            "accessURL": "http:\/\/chemdata.nist.gov\/dokuwiki\/doku.php?id=chemdata:srm1950raw",
            "format": "Agilent Technologies and Thermo Scientific raw data files",
            "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).",
            "mediaType": "text\/html",
            "title": "Raw LC-MS\/MS Data of Standard Reference Material 1950, Metabolites in Human Plasma"
        },
        {
            "downloadURL": "https:\/\/opendata.nist.gov\/1458_Telu_human_plasma_metabolites.zip",
            "format": "Agilent Technologies and Thermo Scientific raw data files",
            "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).",
            "mediaType": "application\/zip",
            "title": "Zipped file of Telu human plasma metabolites data"
        },
        {
            "downloadURL": "https:\/\/opendata.nist.gov\/1458_Telu_human_plasma_metabolites.zip.sha256",
            "format": "SHA-256 hash of zipped data file",
            "description": "SHA-256 hash for verification of zipped data",
            "mediaType": "text\/plain",
            "title": "SHA-256 hash of zipped data for Telu human plasma metabolites"
        },
        {
            "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...'"
        }
    ],
    "license": "https:\/\/www.nist.gov\/open\/license",
    "bureauCode": [
        "006:55"
    ],
    "modified": "2016-05-20 00:00:00",
    "publisher": {
        "@type": "org:Organization",
        "name": "National Institute of Standards and Technology"
    },
    "accrualPeriodicity": "irregular",
    "theme": [
        "Health:Clinical diagnostics",
        "Chemistry:Analytical chemistry",
        "Standards:Reference materials",
        "Chemistry:Molecular characterization"
    ],
    "keyword": [
        "human blood plasma",
        "metabolomics",
        "mass spectrometry",
        "liquid chromatography",
        "SRM 1950"
    ]
}