@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.p84.s720.d3548> 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 -MS-362 date: 2019-04-10T08:56:46.000Z isFt: true name: MS-362/10 phc0: -65.15868 phc1: 25.8838 type: NMR Spectrum DECIM: 2000 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN		Version 3.1 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: 1.4281912768805642 isComplex: true probeName: 5 mm TXI 1H/D-13C/15N Z-GRD Z8569/0013 experiment: 1d groupDelay: 67.9862518310547 temperature: 297.9704 spectrumSize: 65536 baseFrequency: 500.13 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 19.9946778763279 numberOfPoints: 15 relaxationTime: 1 acquisitionTime: 0.0006999999999999991 frequencyOffset: 3088.5074780258037 originFrequency: 500.133088507478 pulseStrength90: 25510.20408163265 experimentNumber: 10 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-04-10T09:51:38.000Z isFt: false name: MS-362/11 phc0: 0 phc1: 0 type: NMR FID DECIM: 672 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TOPSPIN		Version 3.1 DSPFVS: 20 nucleus: 13C reverse: false solvent: CDCl3 dimension: 1 increment: 0.000016800000000000036 isComplex: true probeName: 5 mm TXI 1H/D-13C/15N Z-GRD Z8569/0013 experiment: 1d groupDelay: 67.9838256835938 temperature: 297.9704 spectrumSize: 32768 baseFrequency: 125.757789 digitalFilter: 67.9838256835938 fieldStrength: 11.743848685759856 numberOfScans: 1024 pulseSequence: zgpg30 spectralWidth: 236.636866455897 numberOfPoints: 3 relaxationTime: 2 acquisitionTime: 0.00003360000000000007 frequencyOffset: 12574.712331996807 originFrequency: 125.770363712332 pulseStrength90: 23809.52380952381 experimentNumber: 11 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2019-04-10T09:52:25.000Z isFt: false name: MS-362/12 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 4040 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TOPSPIN		Version 3.1 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00010100000000000006 isComplex: true probeName: 5 mm TXI 1H/D-13C/15N Z-GRD Z8569/0013 experiment: cosy groupDelay: 67.9853057861328 temperature: 297.9704 spectrumSize: 2048,512 baseFrequency: 500.13,500.13 digitalFilter: 67.9853057861328 fieldStrength: 11.746350827011339 numberOfScans: 4 pulseSequence: cosygpmfqf spectralWidth: 9.89837422345936,9.89837422345937 numberOfPoints: 4 relaxationTime: 1.920947 acquisitionTime: 0.00030300000000000016 frequencyOffset: 2136.626252024598,2136.626252024598 originFrequency: 500.132136626252,500.132136626252 pulseStrength90: 25510.20408163265 experimentNumber: 12 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,100 windowMultiplicationMode: 4,4 date: 2019-04-10T10:30:26.000Z isFt: false name: MS-362/13 phc0: -73.525,0 phc1: 0,0 type: NMR FID DECIM: 4040 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TOPSPIN		Version 3.1 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00010100000000000006 isComplex: true probeName: 5 mm TXI 1H/D-13C/15N Z-GRD Z8569/0013 experiment: hsqc groupDelay: 67.9853057861328 temperature: 297.9704 spectrumSize: 4096,512 baseFrequency: 500.13,125.757789 digitalFilter: 67.9853057861328 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hsqcedetgp spectralWidth: 9.89837422345936,165.650015307309 numberOfPoints: 4 relaxationTime: 1.463545 acquisitionTime: 0.00030300000000000016 frequencyOffset: 2136.626252024598,9379.17492599638 originFrequency: 500.132136626252,125.767168174926 pulseStrength90: 25510.20408163265 experimentNumber: 13 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4 date: 2019-04-10T12:27:02.000Z isFt: false name: MS-362/14 phc0: 0,0 phc1: 0,0 type: NMR FID DECIM: 4040 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TOPSPIN		Version 3.1 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: CDCl3 dimension: 2 increment: 0.00010100000000000006 isComplex: true probeName: 5 mm TXI 1H/D-13C/15N Z-GRD Z8569/0013 experiment: hmbc groupDelay: 67.9853057861328 temperature: 297.9704 spectrumSize: 4096,512 baseFrequency: 500.13,125.757789 digitalFilter: 67.9853057861328 fieldStrength: 11.746350827011339 numberOfScans: 16 pulseSequence: hmbcgplpndqf spectralWidth: 9.89837422345936,222.094971475211 numberOfPoints: 4 relaxationTime: 1.927091 acquisitionTime: 0.00030300000000000016 frequencyOffset: 2136.626252024598,12554.688183996632 originFrequency: 500.132136626252,125.770343688184 pulseStrength90: 25510.20408163265 experimentNumber: 14 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,32 windowMultiplicationMode: 4,4" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p84.s720.d3548" ;
    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.p84.s720.d3548#sample> ;
    dct:title "MS-362[10]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p84.s720.d3548#measurement> .

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

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

<https://doi.org/10.57992/nmrxiv.p84.s720.d3548#measurement> a chmo:0000593,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p84.s720.d3548#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/91864534> a chebi:23367 ;
    sio:000008 [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C24H22FNO2" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "O=C(OC1=CC=CC2=CC=CC=C12)C1=CN(CCCCCF)C2=C1C=CC=C2" ],
        [ 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 "375.4"^^xsd:float ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "PRGFSQYZCKCBQO-UHFFFAOYSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C24H22FNO2/c25-15-6-1-7-16-26-17-21(20-12-4-5-13-22(20)26)24(27)28-23-14-8-10-18-9-2-3-11-19(18)23/h2-5,8-14,17H,1,6-7,15-16H2" ] .

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

<https://doi.org/10.57992/nmrxiv.p84.s720.d3548#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/91864534> ;
    dct:title "evaluated sample" .