@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.p74.s605.d3224> a dcat:Dataset ;
    dcatap:applicableLegislation <https://creativecommons.org/licenses/by-sa/4.0/legalcode> ;
    dct:conformsTo [ a dct:Standard ;
            dct:description "https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/" ;
            dct:title "ChemDCAT-AP" ] ;
    dct:description "This dataset contains NMR spectra obtained for the sample -Cytisin date: 2007-09-19T15:45:26.000Z isFt: false name: Cytisin/1 phc0: 173.1897 phc1: 1.6 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TOPSPIN		Version 3.2 DSPFVS: 12 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 0.00013919999999999997 isComplex: true probeName: 5 mm TBI 1H-BB-D Z-GRD  Z5627/001 experiment: 1d groupDelay: -1 temperature: 298.1 spectrumSize: 16384 baseFrequency: 399.952 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 4 pulseSequence: zg spectralWidth: 8.98092684929663 numberOfPoints: 2 relaxationTime: 1 acquisitionTime: 0.00013919999999999997 frequencyOffset: 1599.807999980385 originFrequency: 399.953599808 pulseStrength90: 27777.777777777777 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2007-09-19T21:18:36.000Z isFt: false name: Cytisin/2 phc0: 88.02909 phc1: -17.6 type: NMR FID DECIM: 6 aqMod: 1 isFid: true tdOff: 0 title: Parameter file, TOPSPIN		Version 3.2 DSPFVS: 10 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.000024899999999999968 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: 59.08333333333333 fieldStrength: 9.391509674744551 numberOfScans: 6144 pulseSequence: aptsp.ber spectralWidth: 199.650103467256 numberOfPoints: 2 relaxationTime: 1 acquisitionTime: 0.000024899999999999968 frequencyOffset: 9555.132260999244 originFrequency: 100.577565132261 pulseStrength90: 19230.76923076923 experimentNumber: 2 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2007-09-19T21:18:51.000Z isFt: false name: Cytisin/3 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 6 DSPFVS: 12 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 0.00013919999999999986 isComplex: true 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: 1 pulseSequence: cosygpqf spectralWidth: 8.98092235885342,9.00031959936929 numberOfPoints: 2 relaxationTime: 1 acquisitionTime: 0.00013919999999999986 frequencyOffset: 1799.7840000134602,1799.7840000134602 originFrequency: 399.953799784,399.953799784 pulseStrength90: 27777.777777777777 experimentNumber: 3 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,4 date: 2007-09-19T21:25:07.000Z isFt: false name: Cytisin/4 phc0: 54.9119,90.25 phc1: 0,-183.2 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 6 DSPFVS: 12 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 0.00013919999999999986 isComplex: true probeName: 5 mm TBI 1H-BB-D Z-GRD  Z5627/001 experiment: noesy groupDelay: -1 temperature: 298 spectrumSize: 1024,1024 baseFrequency: 399.952,399.952 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 4 pulseSequence: noesygpph spectralWidth: 8.98092235885342,9.00031959936929 numberOfPoints: 2 relaxationTime: 2 acquisitionTime: 0.00013919999999999986 frequencyOffset: 1799.7840000134602,1799.7840000134602 originFrequency: 399.953799784,399.953799784 pulseStrength90: 27777.777777777777 experimentNumber: 4 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,4 date: 2007-09-19T22:38:43.000Z isFt: false name: Cytisin/5 phc0: -286.7946,-40.85313 phc1: -13.2,64.4 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 6 DSPFVS: 12 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00013919999999999983 isComplex: true probeName: 5 mm TBI 1H-BB-D Z-GRD  Z5627/001 experiment: hsqc groupDelay: -1 temperature: 298 spectrumSize: 2048,2048 baseFrequency: 399.952,100.56801 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 2 pulseSequence: hsqcetgp spectralWidth: 8.98092235885342,160.108283335877 numberOfPoints: 4 relaxationTime: 2 acquisitionTime: 0.0004175999999999995 frequencyOffset: 1799.7840000134602,8045.440800003689 originFrequency: 399.953799784,100.5760554408 pulseStrength90: 28409.090909090908 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,4 date: 2007-09-19T22:58:46.000Z isFt: false name: Cytisin/6 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 6 DSPFVS: 12 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00013919999999999986 isComplex: true probeName: 5 mm TBI 1H-BB-D Z-GRD  Z5627/001 experiment: hmbc groupDelay: -1 temperature: 298 spectrumSize: 1024,256 baseFrequency: 399.952,100.56801 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 8 pulseSequence: hmbcgpl2ndqf spectralWidth: 8.98092235885342,210.200335161627 numberOfPoints: 2 relaxationTime: 1 acquisitionTime: 0.00013919999999999986 frequencyOffset: 1799.7840000134602,10559.641049994185 originFrequency: 399.953799784,100.57856964105 pulseStrength90: 25000 experimentNumber: 6 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,4" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p74.s605.d3224" ;
    dct:issued "2025-02-03"^^xsd:date ;
    dct:language [ a dct:LinguisticSystem ;
            dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ;
            dct:title "en" ] ;
    dct:modified "2025-12-17"^^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.p74.s605.d3224#sample> ;
    dct:title "Cytisin[5]" ;
    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-d3224" ],
        [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.57992/nmrxiv.p74.s605.d3224" ] ;
    dcat:landingPage <https://nmrxiv.org/D3224> ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p74.s605.d3224#measurement> .

chmo:0000604 a schema1:DefinedTerm ;
    schema1:name "heteronuclear single quantum coherence" .

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

<https://doi.org/10.57992/nmrxiv.p74.s605.d3224#measurement> a chmo:0000604,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.57992/nmrxiv.p74.s605.d3224#sample> .

<https://nmrxiv.org/D3224> a foaf:Document .

<https://pubchem.ncbi.nlm.nih.gov/compound/683511> a chebi:23367 ;
    sio:000008 [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "ANJTVLIZGCUXLD-BDAKNGLRSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m1/s1" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "O=C1C=CC=C2[C@@H]3CNC[C@@H](C3)CN21" ],
        [ a cheminf:000042 ;
            dct:title "assigned molecular formula" ;
            prov:value "C11H14N2O" ],
        [ 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 "190.24"^^xsd:float ] .

<https://doi.org/10.57992/nmrxiv.p74.s605.d3224#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/683511> ;
    dct:title "evaluated sample" .