@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 prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .

<https://doi.org/10.57992/nmrxiv.p149.s1491.d6549> 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 -Kuanoniamine D free base DMSO-d6 Nucleus: 1H NMR Solvent: DMSO NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z104450/0124 NMR Pulse Sequence: 1d Temperature: 300 Observed Frequency: 400.13 Magnetic Field Strength: 9.397691291560301 Number of Scans: 64 NMR Pulse Sequence: zg30 Spectral Width: 20.0254428533683 Number of Data Points: 32768 Relaxation Delay: 0.1 Observed Frequency: 400.13200065 Nucleus: 13C NMR Solvent: DMSO NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z104450/0124 NMR Pulse Sequence: 1d Temperature: 300 Observed Frequency: 100.612769 Magnetic Field Strength: 9.39626001094152 Number of Scans: 29000 NMR Pulse Sequence: zgpg Spectral Width: 208.782622524592 Number of Data Points: 65536 Relaxation Delay: 0.4490797 Observed Frequency: 100.62333305 Nucleus: 1H,1H NMR Solvent: DMSO NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z104450/0124 NMR Pulse Sequence: cosy Temperature: 300 Observed Frequency: 400.13,400.13 Magnetic Field Strength: 9.397691291560301 Number of Scans: 4 NMR Pulse Sequence: cosygpppqf Spectral Width: 20.0254428533683,20.0254428533683 Number of Data Points: 2048,256 Relaxation Delay: 1.4 Observed Frequency: 400.13200065,400.13200065 Nucleus: 1H,13C NMR Solvent: DMSO NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z104450/0124 NMR Pulse Sequence: hsqc Temperature: 300.1 Observed Frequency: 400.13,100.612769 Magnetic Field Strength: 9.397691291560301 Number of Scans: 8 NMR Pulse Sequence: hsqcedetgpsisp.mw Spectral Width: 20.0254428533683,209.663561860139 Number of Data Points: 2048,256 Relaxation Delay: 1 Observed Frequency: 400.13200065,100.62333305 Nucleus: 1H,13C NMR Solvent: DMSO NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z104450/0124 NMR Pulse Sequence: hmbc Temperature: 300 Observed Frequency: 400.13,100.612769 Magnetic Field Strength: 9.397691291560301 Number of Scans: 470 NMR Pulse Sequence: impact-hmbc.ms Spectral Width: 20.0254428533683,209.66356186014 Number of Data Points: 2048,204 Relaxation Delay: 0.2 Observed Frequency: 400.13200065,100.62333305" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p149.s1491.d6549" ;
    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.p149.s1491.d6549#sample> ;
    dct:title "Kuanoniamine D free base DMSO-d6[1]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p149.s1491.d6549#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.p149.s1491.d6549#measurement> a chmo:0000593,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p149.s1491.d6549#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/10067080> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C20H16N4OS/c1-11(25)21-8-7-14-17-16-13(12-4-2-3-5-15(12)24-17)6-9-22-18(16)19-20(14)26-10-23-19/h2-6,9-10,24H,7-8H2,1H3,(H,21,25)" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC(=O)NCCC1=C2SC=NC2=C2N=CC=C3C4=CC=CC=C4NC1=C32" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "GUSIRVISUKPQFL-UHFFFAOYSA-N" ] .

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

<https://doi.org/10.57992/nmrxiv.p149.s1491.d6549#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/10067080> ;
    dct:title "evaluated sample" .