@prefix adms: <http://www.w3.org/ns/adms#> .
@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@prefix cheminf: <http://semanticscience.org/resource/CHEMINF_> .
@prefix chmo: <http://purl.obolibrary.org/obo/CHMO_> .
@prefix dcat: <http://www.w3.org/ns/dcat#> .
@prefix dcatap: <http://data.europa.eu/r5r/> .
@prefix dct: <http://purl.org/dc/terms/> .
@prefix foaf: <http://xmlns.com/foaf/0.1/> .
@prefix ns1: <http://qudt.org/schema/qudt/> .
@prefix prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .
@prefix skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://doi.org/10.57992/nmrxiv.p23.s455.d2364> a dcat:Dataset ;
    dcatap:applicableLegislation <https://creativecommons.org/licenses/by/4.0/legalcode> ;
    dct:conformsTo [ a dct:Standard ;
            dct:description "https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/" ;
            dct:title "ChemDCAT-AP" ] ;
    dct:creator [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Prof. Dr. Klaus-Peter Zeller" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Prof. Dr. Dieter Sicker" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Prof. Dr. Stefan Berger" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Agneta Prasse" ],
        [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Prof. Dr. Hans-Ullrich Siehl" ] ;
    dct:description "This dataset contains NMR spectra obtained for the sample -l-Linalool date: 2009-02-04T12:45:25.000Z isFt: true name: l-Linalool/1 phc0: 171.7234 phc1: 4 type: NMR FID DECIM: 32 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN		Version 3.2 DSPFVS: 12 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.0001392 isComplex: true probeName: 5 mm TBI 1H-BB-D Z-GRD  Z5627/001 experiment: 1d groupDelay: -1 temperature: 298 spectrumSize: 32768 baseFrequency: 399.952 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 8 pulseSequence: zg spectralWidth: 8.98092774738581 numberOfPoints: 2 relaxationTime: 1 acquisitionTime: 0.0001392 frequencyOffset: 1559.8127999965072 originFrequency: 399.9535598128 pulseStrength90: 25000 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2009-02-04T14:23:19.000Z isFt: true name: l-Linalool/2 phc0: 82.12267 phc1: -42.025 type: NMR FID DECIM: 8 aqMod: 1 isFid: false tdOff: 0 title: Parameter file, TOPSPIN		Version 3.2 DSPFVS: 10 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.000027599999999999973 isComplex: true probeName: 5 mm TBI 1H-BB-D Z-GRD  Z5627/001 experiment: aptjmod groupDelay: -1 temperature: 298 spectrumSize: 131072 baseFrequency: 100.56801 digitalFilter: 68.5625 fieldStrength: 9.391509674744551 numberOfScans: 2048 pulseSequence: aptsp.ber spectralWidth: 180.120918220313 numberOfPoints: 2 relaxationTime: 1 acquisitionTime: 0.000027599999999999973 frequencyOffset: 8548.280849993262 originFrequency: 100.57655828085 pulseStrength90: 17857.14285714286 experimentNumber: 2 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2009-02-04T14:23:34.000Z isFt: true name: l-Linalool/3 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 32 aqMod: 3 tdOff: 0,0 title: Parameter file, TOPSPIN		Version 3.2 DSPFVS: 12 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 0.0001392 probeName: 5 mm TBI 1H-BB-D Z-GRD  Z5627/001 experiment: cosy groupDelay: -1 temperature: 298 spectrumSize: 1024,1024 baseFrequency: 399.952,399.952 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 2 pulseSequence: cosygpqf spectralWidth: 8.98092415503016,9.00032139942547 numberOfPoints: 4 relaxationTime: 1 acquisitionTime: 0.00041759999999999996 frequencyOffset: 1719.7935999888614,1719.7935999888614 originFrequency: 399.9537197936,399.9537197936 pulseStrength90: 50000 experimentNumber: 3 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,3 date: 2009-02-04T15:26:08.000Z isFt: true name: l-Linalool/5 phc0: -164.9132,0 phc1: -371.25,0 type: NMR FID DECIM: 32 aqMod: 3 tdOff: 0,0 title: Parameter file, TOPSPIN		Version 3.2 DSPFVS: 12 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.0001392 probeName: 5 mm TBI 1H-BB-D Z-GRD  Z5627/001 experiment: hsqc groupDelay: -1 temperature: 298 spectrumSize: 1024,1024 baseFrequency: 399.952,100.56801 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 2 pulseSequence: hsqcedetgp spectralWidth: 8.98092415503016,180.120377905106 numberOfPoints: 2 relaxationTime: 2 acquisitionTime: 0.0001392 frequencyOffset: 1719.7935999888614,8849.984880001215 originFrequency: 399.9537197936,100.57685998488 pulseStrength90: 25000 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,4 date: 2009-02-04T15:46:06.000Z isFt: true name: l-Linalool/6 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 32 aqMod: 3 tdOff: 0,0 title: Parameter file, TOPSPIN		Version 3.2 DSPFVS: 12 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.0001392 probeName: 5 mm TBI 1H-BB-D Z-GRD  Z5627/001 experiment: hmbc groupDelay: -1 temperature: 298 spectrumSize: 1024,1024 baseFrequency: 399.952,100.56801 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 4 pulseSequence: hmbcetgpl2nd spectralWidth: 8.98092415503016,180.120918220313 numberOfPoints: 4 relaxationTime: 1 acquisitionTime: 0.00041759999999999996 frequencyOffset: 1719.7935999888614,8548.280849993262 originFrequency: 399.9537197936,100.57655828085 pulseStrength90: 25000 experimentNumber: 6 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,4 date: 2009-02-04T14:29:36.000Z isFt: true name: l-Linalool/4 phc0: 43.4119,89.96407 phc1: 0,-182 type: NMR FID DECIM: 32 aqMod: 3 tdOff: 0,0 title: Parameter file, TOPSPIN		Version 3.2 DSPFVS: 12 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 0.0001392 probeName: 5 mm TBI 1H-BB-D Z-GRD  Z5627/001 experiment: noesy groupDelay: -1 temperature: 571.16 spectrumSize: 1024,1024 baseFrequency: 399.952,399.952 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 4 pulseSequence: noesygpph spectralWidth: 8.98092415503016,9.00032139942547 numberOfPoints: 4 relaxationTime: 2 acquisitionTime: 0.00041759999999999996 frequencyOffset: 1719.7935999888614,1719.7935999888614 originFrequency: 399.9537197936,399.9537197936 pulseStrength90: 25000 experimentNumber: 4 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,4" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p23.s455.d2364" ;
    dct:issued "2024-05-15"^^xsd:date ;
    dct:language [ a dct:LinguisticSystem ;
            dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ;
            dct:title "en" ] ;
    dct:modified "2025-02-03"^^xsd:date ;
    dct:publisher [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "http://purl.org/adms/publishertype/Academia-ScientificOrganisation" ;
                    skos:prefLabel "Academia/Scientific organisation" ] ;
            foaf:name "nmrXiv" ] ;
    dct:subject <https://doi.org/10.57992/nmrxiv.p23.s455.d2364#sample> ;
    dct:title "l-Linalool.1d" ;
    adms:identifier [ a adms:Identifier ;
            dct:description "The id of this dataset within the NFDI4Chem Search Service (https://search.nfdi4chem.de/)" ;
            dct:title "Search Service ID" ;
            skos:notation "https://search.nfdi4chem.de/dataset/nmrxiv-d2364" ],
        [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.57992/nmrxiv.p23.s455.d2364" ] ;
    dcat:landingPage <https://nmrxiv.org/D2364> ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p23.s455.d2364#measurement> .

chmo:0000593 a schema1:DefinedTerm ;
    schema1:name "1H nuclear magnetic resonance spectroscopy" .

<https://creativecommons.org/licenses/by/4.0/legalcode> a <http://data.europa.eu/eli/ontology#LegalResource> ;
    dct:title "Attribution 4.0 International" .

<https://doi.org/10.57992/nmrxiv.p23.s455.d2364#measurement> a chmo:0000593,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.57992/nmrxiv.p23.s455.d2364#sample> .

<https://nmrxiv.org/D2364> a foaf:Document .

<https://pubchem.ncbi.nlm.nih.gov/compound/443158> a chebi:23367 ;
    sio:000008 [ a <http://purl.allotrope.org/ontologies/result#AFR_0002409> ;
            dct:title "assigned exact mass" ;
            ns1:hasQuantityKind <http://qudt.org/vocab/quantitykind/MolarMass> ;
            ns1:unit <https://qudt.org/vocab/unit/GM-PER-MOL> ;
            prov:value "154.25"^^xsd:float ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C=C[C@](C)(O)CCC=C(C)C" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "CDOSHBSSFJOMGT-JTQLQIEISA-N" ],
        [ a cheminf:000042 ;
            dct:title "assigned molecular formula" ;
            prov:value "C10H18O" ] .

<https://doi.org/10.57992/nmrxiv.p23.s455.d2364#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/443158> ;
    dct:title "evaluated sample" .