@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.p42.s241.d1391> 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 "Peter Spiteller" ] ;
    dct:description "This dataset contains NMR spectra obtained for the sample -Brazilein date: 2008-07-07T15:42:49.000Z isFt: true name: 1/12 phc0: 8.029016 phc1: -7 type: NMR Spectrum DECIM: 24 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN		Version 2.1 DSPFVS: 12 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 0.8550369300404 isComplex: true probeName: 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 experiment: 1d groupDelay: -1 temperature: 298 spectrumSize: 32768 baseFrequency: 600.13 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: zg spectralWidth: 11.9705170205656 numberOfPoints: 15 relaxationTime: 1 acquisitionTime: 0.000974399999999997 frequencyOffset: 3480.7539999519577 originFrequency: 600.133480754 pulseStrength90: 26315.78947368421 experimentNumber: 12 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2008-07-07T15:42:49.000Z isFt: true name: Brazilein/1 phc0: 8.029016 phc1: -7 type: NMR FID DECIM: 24 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5.b.91 pl 7 DSPFVS: 12 nucleus: 1H reverse: false solvent: DMSO dimension: 1 increment: 0.00006959999999999978 isComplex: true probeName: 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 experiment: proton groupDelay: -1 temperature: 298 spectrumSize: 32768 baseFrequency: 600.13 digitalFilter: 70.16666666666667 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: zg spectralWidth: 11.9705170205656 numberOfPoints: 3 relaxationTime: 1 acquisitionTime: 0.00013919999999999956 frequencyOffset: 3480.7539999519577 originFrequency: 600.133480754 pulseStrength90: 26315.78947368421 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2008-06-14T23:30:52.000Z isFt: true name: Brazilein/2 phc0: -38.5375 phc1: 0 type: NMR FID DECIM: 6 aqMod: 1 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5.b.91 pl 7 DSPFVS: 10 nucleus: 13C reverse: false solvent: DMSO dimension: 1 increment: 0.00001575000000000002 isComplex: true probeName: 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 experiment: apt groupDelay: -1 temperature: 298 spectrumSize: 32768 baseFrequency: 150.902749 digitalFilter: 59.08333333333333 fieldStrength: 14.092002289585412 numberOfScans: 16384 pulseSequence: aptsp.ber spectralWidth: 210.352445213048 numberOfPoints: 3 relaxationTime: 1 acquisitionTime: 0.00003150000000000004 frequencyOffset: 15542.98314698599 originFrequency: 150.918291983147 pulseStrength90: 18518.51851851852 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2008-06-15T00:12:14.000Z isFt: false name: Brazilein/4 phc0: -179.3321,0 phc1: -5.2,0 type: NMR FID DECIM: 24 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5.b.91 pl 7 DSPFVS: 12 nucleus: 1H,1H reverse: false,false solvent: DMSO dimension: 2 increment: 0.00006959999999999978 isComplex: true probeName: 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 experiment: noesy groupDelay: -1 temperature: 298 spectrumSize: 1024,1024 baseFrequency: 600.13,600.13 digitalFilter: 70.16666666666667 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: noesyetgp spectralWidth: 11.9705170205656,12.0006911722199 numberOfPoints: 2 relaxationTime: 1 acquisitionTime: 0.00006959999999999978 frequencyOffset: 3480.7539999519577,3480.7539999519577 originFrequency: 600.133480754,600.133480754 pulseStrength90: 23809.52380952381 experimentNumber: 4 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,4 date: 2008-06-15T03:49:33.000Z isFt: false name: Brazilein/5 phc0: -118.602,-11.05742 phc1: 13.1,17.55 type: NMR FID DECIM: 24 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.6.0 DSPFVS: 12 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: 0.00006959999999999978 isComplex: true probeName: 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 experiment: hsqc groupDelay: -1 temperature: 298.1 spectrumSize: 1024,1024 baseFrequency: 600.13,150.902809 digitalFilter: 70.16666666666667 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: hsqcedetgpsisp spectralWidth: 11.9705170205656,160.054710850046 numberOfPoints: 6 relaxationTime: 1 acquisitionTime: 0.0003479999999999989 frequencyOffset: 3480.7539999519577,11770.419102020924 originFrequency: 600.133480754,150.914579419102 pulseStrength90: 23809.52380952381 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2008-06-15T04:30:20.000Z isFt: false name: Brazilein/6 phc0: -179.3321,0 phc1: -5.2,0 type: NMR FID DECIM: 24 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5.b.91 pl 7 DSPFVS: 12 nucleus: 1H,13C reverse: false,false solvent: DMSO dimension: 2 increment: 0.00006959999999999978 isComplex: true probeName: 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 experiment: hmbc groupDelay: -1 temperature: 297.9 spectrumSize: 1024,1024 baseFrequency: 600.13,150.902809 digitalFilter: 70.16666666666667 fieldStrength: 14.095010340939984 numberOfScans: 16 pulseSequence: hmbcgpl2ndqf spectralWidth: 11.9705170205656,209.68668954516 numberOfPoints: 2 relaxationTime: 2 acquisitionTime: 0.00006959999999999978 frequencyOffset: 3480.7539999519577,15542.989327002488 originFrequency: 600.133480754,150.918351989327 pulseStrength90: 23809.52380952381 experimentNumber: 6 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,4 date: 2008-07-03T13:34:35.000Z isFt: false name: Brazilein/3 phc0: -179.3321,0 phc1: -5.2,0 type: NMR FID DECIM: 24 aqMod: 3 isFid: true tdOff: 0,0 title: Parameter file, TopSpin 3.5.b.91 pl 7 DSPFVS: 12 nucleus: 1H,1H reverse: false,false solvent: DMSO dimension: 2 increment: 0.00006959999999999978 isComplex: true probeName: 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 experiment: cosy groupDelay: -1 temperature: 298 spectrumSize: 2048,1024 baseFrequency: 600.13,600.13 digitalFilter: 70.16666666666667 fieldStrength: 14.095010340939984 numberOfScans: 8 pulseSequence: cosylrqf spectralWidth: 11.9705170205656,12.0006911722199 numberOfPoints: 7 relaxationTime: 2 acquisitionTime: 0.0004175999999999987 frequencyOffset: 3480.7539999519577,3480.7539999519577 originFrequency: 600.133480754,600.133480754 pulseStrength90: 23809.52380952381 experimentNumber: 3 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,4" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p42.s241.d1391" ;
    dct:issued "2024-04-22"^^xsd:date ;
    dct:language [ a dct:LinguisticSystem ;
            dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ;
            dct:title "en" ] ;
    dct:modified "2024-09-23"^^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.p42.s241.d1391#sample> ;
    dct:title "Brazilein.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-d1391" ],
        [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.57992/nmrxiv.p42.s241.d1391" ] ;
    dcat:landingPage <https://nmrxiv.org/D1391> ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p42.s241.d1391#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.p42.s241.d1391#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.p42.s241.d1391#sample> .

<https://doi.org/10.57992/nmrxiv.p42.s241.d1391#sample_compound> 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 "284.26"^^xsd:float ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "O=C1C=C2CC3(O)COC4=C(C=CC(O)=C4)C3=C2C=C1O" ],
        [ a cheminf:000042 ;
            dct:title "assigned molecular formula" ;
            prov:value "C16H12O5" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "MLWIYODOURBGPI-UHFFFAOYSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C16H12O5/c17-9-1-2-10-14(4-9)21-7-16(20)6-8-3-12(18)13(19)5-11(8)15(10)16/h1-5,17,19-20H,6-7H2" ] .

<https://nmrxiv.org/D1391> a foaf:Document .

<https://doi.org/10.57992/nmrxiv.p42.s241.d1391#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p42.s241.d1391#sample_compound> ;
    dct:title "evaluated sample" .