@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@prefix chemdcatap: <https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/> .
@prefix cheminf: <http://semanticscience.org/resource/CHEMINF_> .
@prefix chmo: <http://purl.obolibrary.org/obo/CHMO_> .
@prefix dcat: <http://www.w3.org/ns/dcat#> .
@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 xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://doi.org/10.57992/nmrxiv.p42.s245.d1418> a dcat:Dataset,
        chemdcatap:SubstanceSampleCharacterizationDataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:description "This dataset contains NMR spectra obtained for the sample -Nicotine date: 2006-03-31T08:22:23.000Z isFt: true name: Nicotine/2 phc0: -12.80667 phc1: 29.8 type: NMR FID DECIM: 8 aqMod: 1 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 10 nucleus: 13C reverse: false solvent: D2O dimension: 1 increment: 0.000029200000000000083 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD  Z8248/080 experiment: apt groupDelay: -1 temperature: 298 spectrumSize: 131072 baseFrequency: 100.56801 digitalFilter: 68.5625 fieldStrength: 9.391509674744551 numberOfScans: 213 pulseSequence: aptsp.ber spectralWidth: 170.251619340073 numberOfPoints: 17 relaxationTime: 2 acquisitionTime: 0.00046720000000000133 frequencyOffset: 8347.144829997433 originFrequency: 100.57635714483 pulseStrength90: 28089.887640449437 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2006-03-31T10:12:40.000Z isFt: true name: Nicotine/0 phc0: -177.3587 phc1: 29.2 type: NMR FID DECIM: 8 aqMod: 1 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5.b.91 pl 7 DSPFVS: 10 nucleus: 13C reverse: false solvent: D2O dimension: 1 increment: 0.000029200000000000083 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD  Z8248/080 experiment: c13 groupDelay: -1 temperature: 298 spectrumSize: 131072 baseFrequency: 100.56801 digitalFilter: 68.5625 fieldStrength: 9.391509674744551 numberOfScans: 512 pulseSequence: zggd spectralWidth: 170.251619340073 numberOfPoints: 20 relaxationTime: 2 acquisitionTime: 0.0005548000000000016 frequencyOffset: 8347.144829997433 originFrequency: 100.57635714483 pulseStrength90: 35714.28571428572 experimentNumber: 0 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2006-03-31T10:12:40.000Z isFt: true name: Nicotine/3 phc0: -177.3587 phc1: 29.2 type: NMR FID DECIM: 8 aqMod: 1 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 10 nucleus: 13C reverse: false solvent: D2O dimension: 1 increment: 0.000029200000000000083 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD  Z8248/080 experiment: c13 groupDelay: -1 temperature: 298 spectrumSize: 131072 baseFrequency: 100.56801 digitalFilter: 68.5625 fieldStrength: 9.391509674744551 numberOfScans: 512 pulseSequence: zggd spectralWidth: 170.251619340073 numberOfPoints: 48 relaxationTime: 2 acquisitionTime: 0.0013724000000000039 frequencyOffset: 8347.144829997433 originFrequency: 100.57635714483 pulseStrength90: 35714.28571428572 experimentNumber: 3 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2006-04-01T08:52:13.000Z isFt: false name: Nicotine/0 phc0: -8.712502,-57.54259 phc1: 32.2,268.2 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5.b.91 pl 7 DSPFVS: 12 nucleus: 1H,15N reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00012079999999999951 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD  Z8248/080 experiment: hsqc groupDelay: -1 temperature: 298.1 spectrumSize: 1024,512 baseFrequency: 399.952,40.526784 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 32 pulseSequence: hsqcgpph spectralWidth: 10.3488798985648,399.839636586517 numberOfPoints: 2 relaxationTime: 2 acquisitionTime: 0.00012079999999999951 frequencyOffset: 1704.0000000179134,8105.356800001573 originFrequency: 399.953704,40.5348893568 pulseStrength90: 22321.428571428572 experimentNumber: 0 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,4 date: 2006-04-01T08:52:13.000Z isFt: false name: Nicotine/8 phc0: -8.712502,-57.54259 phc1: 32.2,268.2 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H,15N reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00012079999999999951 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD  Z8248/080 experiment: hsqc groupDelay: -1 temperature: 298.1 spectrumSize: 1024,512 baseFrequency: 399.952,40.526784 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 32 pulseSequence: hsqcgpph spectralWidth: 10.3488798985648,399.839636586517 numberOfPoints: 2 relaxationTime: 2 acquisitionTime: 0.00012079999999999951 frequencyOffset: 1704.0000000179134,8105.356800001573 originFrequency: 399.953704,40.5348893568 pulseStrength90: 22321.428571428572 experimentNumber: 8 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,4 date: 2006-03-31T08:39:04.000Z isFt: false name: Nicotine/5 phc0: -130.9119,89.84609 phc1: 0,-181.8 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 0.0001248000000000004 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD  Z8248/080 experiment: noesy groupDelay: -1 temperature: 298 spectrumSize: 1024,256 baseFrequency: 399.952,399.952 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 2 pulseSequence: noesygpph spectralWidth: 10.0171776224625,10.0171776224625 numberOfPoints: 4 relaxationTime: 2 acquisitionTime: 0.0003744000000000012 frequencyOffset: 1999.759999989692,1999.759999989692 originFrequency: 399.95399976,399.95399976 pulseStrength90: 22321.428571428572 experimentNumber: 5 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,4 date: 2006-03-31T09:27:12.000Z isFt: false name: Nicotine/7 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.0001248000000000004 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD  Z8248/080 experiment: hmbc groupDelay: -1 temperature: 297.9 spectrumSize: 1024,256 baseFrequency: 399.952,100.56801 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 2 pulseSequence: hmbcgpl2ndqf_soer spectralWidth: 10.0171776224625,169.960590930945 numberOfPoints: 2 relaxationTime: 1 acquisitionTime: 0.0001248000000000004 frequencyOffset: 1999.759999989692,8347.144829997433 originFrequency: 399.95399976,100.57635714483 pulseStrength90: 22321.428571428572 experimentNumber: 7 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,4 date: 2006-03-31T08:27:38.000Z isFt: false name: Nicotine/4 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 32 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 0.0001248000000000004 isComplex: true probeName: 5 mm BBO BB-1H-D Z-GRD  Z8248/080 experiment: cosy groupDelay: -1 temperature: 298 spectrumSize: 1024,256 baseFrequency: 399.952,399.952 digitalFilter: 72.125 fieldStrength: 9.3935106991479 numberOfScans: 2 pulseSequence: cosygpqf spectralWidth: 10.0171776224625,10.0171776224625 numberOfPoints: 3 relaxationTime: 1 acquisitionTime: 0.0002496000000000008 frequencyOffset: 1999.759999989692,1999.759999989692 originFrequency: 399.95399976,399.95399976 pulseStrength90: 22321.428571428572 experimentNumber: 4 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,3" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p42.s245.d1418" ;
    dct:language <http://id.loc.gov/vocabulary/iso639-1/en> ;
    dct:publisher <https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> ;
    dct:subject <https://doi.org/10.57992/nmrxiv.p42.s245.d1418#sample> ;
    dct:title "Nicotine.c13" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p42.s245.d1418#measurement> .

<http://id.loc.gov/vocabulary/iso639-1/en> a dct:LinguisticSystem .

chmo:0000595 a schema1:DefinedTerm ;
    schema1:name "13C nuclear magnetic resonance spectroscopy" .

<https://doi.org/10.57992/nmrxiv.p42.s245.d1418#measurement> a chmo:0000595,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p42.s245.d1418#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/942> 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 "162.23"^^xsd:float ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "SNICXCGAKADSCV-UHFFFAOYSA-N" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C10H14N2" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CN1CCCC1C1=CN=CC=C1" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3" ] .

<https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> a foaf:Organization ;
    foaf:name "nmrXiv" .

<https://doi.org/10.57992/nmrxiv.p42.s245.d1418#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/942> ;
    dct:title "evaluated sample" .