@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.s246.d1428> 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 -Shikimic acid date: 2007-10-25T16:02:06.000Z isFt: true name: Shikimic acid/1 phc0: 93.98719 phc1: -14.4 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: D2O dimension: 1 increment: 0.00007920000000000001 isComplex: true probeName: 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 experiment: proton groupDelay: -1 temperature: 300 spectrumSize: 65536 baseFrequency: 700.15 digitalFilter: 70.16666666666667 fieldStrength: 16.44413958677142 numberOfScans: 4 pulseSequence: zg spectralWidth: 9.01679077441558 numberOfPoints: 4 relaxationTime: 1 acquisitionTime: 0.00023760000000000006 frequencyOffset: 2800.600000000486 originFrequency: 700.1528006 pulseStrength90: 27777.777777777777 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2007-10-25T18:03:53.000Z isFt: true name: Shikimic acid/2 phc0: -70.89857 phc1: 16 type: NMR FID DECIM: 4 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: 0.000013500000000000013 isComplex: true probeName: 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 experiment: apt groupDelay: -1 temperature: 300 spectrumSize: 131072 baseFrequency: 176.052858 digitalFilter: 66.625 fieldStrength: 16.440636731038314 numberOfScans: 512 pulseSequence: aptsp.ber spectralWidth: 210.353493401775 numberOfPoints: 14 relaxationTime: 2 acquisitionTime: 0.00017550000000000017 frequencyOffset: 17605.28580001619 originFrequency: 176.0704632858 pulseStrength90: 19230.76923076923 experimentNumber: 2 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2007-10-25T16:05:29.000Z isFt: false name: Shikimic acid/3 phc0: 0,0 phc1: 0,0 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: D2O dimension: 2 increment: 0.00007920000000000001 isComplex: true probeName: 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 experiment: cosy groupDelay: -1 temperature: 300 spectrumSize: 1024,1024 baseFrequency: 700.15,700.15 digitalFilter: 70.16666666666667 fieldStrength: 16.44413958677142 numberOfScans: 2 pulseSequence: cosygpqf spectralWidth: 9.01679077441558,8.99974580130705 numberOfPoints: 3 relaxationTime: 2 acquisitionTime: 0.00015840000000000003 frequencyOffset: 2800.600000000486,2800.600000000486 originFrequency: 700.1528006,700.1528006 pulseStrength90: 31250 experimentNumber: 3 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,3 date: 2007-10-25T17:00:17.000Z isFt: false name: Shikimic acid/5 phc0: 3.494566,223.1038 phc1: -38.8,-15.2 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: D2O dimension: 2 increment: 0.00007920000000000001 isComplex: true probeName: 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 experiment: hsqc groupDelay: -1 temperature: 300 spectrumSize: 1024,512 baseFrequency: 700.15,176.052858 digitalFilter: 70.16666666666667 fieldStrength: 16.44413958677142 numberOfScans: 2 pulseSequence: hsqcedetgpsisp spectralWidth: 9.01679077441558,159.990523460763 numberOfPoints: 3 relaxationTime: 2 acquisitionTime: 0.00015840000000000003 frequencyOffset: 2800.600000000486,13908.175782006538 originFrequency: 700.1528006,176.066766175782 pulseStrength90: 31250 experimentNumber: 5 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,4 date: 2007-10-25T16:24:24.000Z isFt: false name: Shikimic acid/4 phc0: -136.6069,88.47343 phc1: -7,-178 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: D2O dimension: 2 increment: 0.00007920000000000001 isComplex: true probeName: 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 experiment: noesy groupDelay: -1 temperature: 300 spectrumSize: 1024,1024 baseFrequency: 700.15,700.15 digitalFilter: 70.16666666666667 fieldStrength: 16.44413958677142 numberOfScans: 2 pulseSequence: noesygpph spectralWidth: 9.01679077441558,8.99974580130705 numberOfPoints: 3 relaxationTime: 2 acquisitionTime: 0.00015840000000000003 frequencyOffset: 2800.600000000486,2800.600000000486 originFrequency: 700.1528006,700.1528006 pulseStrength90: 31250 experimentNumber: 4 acquisitionScheme: States-TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,4 date: 2007-10-25T17:19:13.000Z isFt: false name: Shikimic acid/6 phc0: -97.1078,0 phc1: 9.599999,0 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: D2O dimension: 2 increment: 0.00007920000000000001 isComplex: true probeName: 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 experiment: hmbc groupDelay: -1 temperature: 300 spectrumSize: 1024,512 baseFrequency: 700.15,176.052858 digitalFilter: 70.16666666666667 fieldStrength: 16.44413958677142 numberOfScans: 2 pulseSequence: hmbcgpl2ndqf spectralWidth: 9.01679077441558,199.984554888321 numberOfPoints: 3 relaxationTime: 2 acquisitionTime: 0.00015840000000000003 frequencyOffset: 2800.600000000486,17077.12722600263 originFrequency: 700.1528006,176.069935127226 pulseStrength90: 31250 experimentNumber: 6 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,4" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p42.s246.d1428" ;
    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.s246.d1428#sample> ;
    dct:title "Shikimic acid.hsqc" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p42.s246.d1428#measurement> .

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

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

<https://doi.org/10.57992/nmrxiv.p42.s246.d1428#measurement> a chmo:0000604,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p42.s246.d1428#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/11789701> a chebi:23367 ;
    sio:000008 [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "JXOHGGNKMLTUBP-KVQBGUIXSA-N" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C7H10O5" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5+,6+/m0/s1" ],
        [ 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 "174.15"^^xsd:float ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "O=C(O)C1=C[C@H](O)[C@@H](O)[C@H](O)C1" ] .

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

<https://doi.org/10.57992/nmrxiv.p42.s246.d1428#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/11789701> ;
    dct:title "evaluated sample" .