@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/UQJQNVDXRZWZHJ-FOFKOLDFSA-N/CHMO0000473.1> 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 atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

""" ;
    dct:identifier "https://doi.org/10.14272/UQJQNVDXRZWZHJ-FOFKOLDFSA-N/CHMO0000473.1" ;
    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/UQJQNVDXRZWZHJ-FOFKOLDFSA-N/CHMO0000473.1#sample> ;
    dct:title "atmospheric pressure chemical ionisation mass spectrometry (APCI MS)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/UQJQNVDXRZWZHJ-FOFKOLDFSA-N/CHMO0000473.1#measurement> .

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

chmo:0000473 a schema1:DefinedTerm ;
    schema1:name "atmospheric pressure chemical ionisation mass spectrometry" .

<https://doi.org/10.14272/UQJQNVDXRZWZHJ-FOFKOLDFSA-N/CHMO0000473.1#measurement> a chmo:0000473,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/UQJQNVDXRZWZHJ-FOFKOLDFSA-N/CHMO0000473.1#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/172419622> a chebi:23367 ;
    sio:000008 [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "N-[(2R)-1-methoxy-2-[(1R)-3-oxo-1-thiophen-2-yl-2H-isoindol-1-yl]propyl]benzamide" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "UQJQNVDXRZWZHJ-FOFKOLDFSA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "COC([C@@H]([C@]1(NC(=O)c2c1cccc2)c1cccs1)C)NC(=O)c1ccccc1" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C23H22N2O3S/c1-15(22(28-2)24-20(26)16-9-4-3-5-10-16)23(19-13-8-14-29-19)18-12-7-6-11-17(18)21(27)25-23/h3-15,22H,1-2H3,(H,24,26)(H,25,27)/t15-,22?,23+/m0/s1" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C23H22N2O3S" ],
        [ 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 "406.49738"^^xsd:float ] .

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

<https://doi.org/10.14272/UQJQNVDXRZWZHJ-FOFKOLDFSA-N/CHMO0000473.1#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/172419622> ;
    dct:title "evaluated sample" .