@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/10.14272/XUTLZPZAGNQSPL-ODHQKICUSA-N/CHMO0000498> a dcat:Dataset,
        chemdcatap:SubstanceSampleCharacterizationDataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:description """dataset for high-resolution mass spectrometry (HRMS)

""" ;
    dct:identifier "https://doi.org/10.14272/XUTLZPZAGNQSPL-ODHQKICUSA-N/CHMO0000498" ;
    dct:language <http://id.loc.gov/vocabulary/iso639-1/en> ;
    dct:publisher <https://search.nfdi4chem.de/organization/5d8cf908-018e-4085-886f-62c28ac9772a> ;
    dct:subject <https://doi.org/10.14272/XUTLZPZAGNQSPL-ODHQKICUSA-N/CHMO0000498#sample> ;
    dct:title "high-resolution mass spectrometry (HRMS)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/XUTLZPZAGNQSPL-ODHQKICUSA-N/CHMO0000498#measurement> .

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

chmo:0000498 a schema1:DefinedTerm ;
    schema1:name "high-resolution mass spectrometry" .

<https://doi.org/10.14272/XUTLZPZAGNQSPL-ODHQKICUSA-N/CHMO0000498#measurement> a chmo:0000498,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/XUTLZPZAGNQSPL-ODHQKICUSA-N/CHMO0000498#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/172419643> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "O=C(c1ccccc1)NC1c2sccc2[C@@]2([C@@H]1C)NC(=O)c1c2cccc1" ],
        [ 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 "374.4555200000001"^^xsd:float ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C22H18N2O2S/c1-13-18(23-20(25)14-7-3-2-4-8-14)19-17(11-12-27-19)22(13)16-10-6-5-9-15(16)21(26)24-22/h2-13,18H,1H3,(H,23,25)(H,24,26)/t13-,18?,22+/m1/s1" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "XUTLZPZAGNQSPL-ODHQKICUSA-N" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C22H18N2O2S" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "N-[(1S,5'R)-5'-methyl-3-oxospiro[2H-isoindole-1,4'-5,6-dihydrocyclopenta[b]thiophene]-6'-yl]benzamide" ] .

<https://search.nfdi4chem.de/organization/5d8cf908-018e-4085-886f-62c28ac9772a> a foaf:Organization ;
    foaf:name "Chemotion - Repository " .

<https://doi.org/10.14272/XUTLZPZAGNQSPL-ODHQKICUSA-N/CHMO0000498#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/172419643> ;
    dct:title "evaluated sample" .