@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/FPGOFNANYCIZRQ-KKCLFWLVSA-N/CHMO0000473> 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/FPGOFNANYCIZRQ-KKCLFWLVSA-N/CHMO0000473" ;
    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/FPGOFNANYCIZRQ-KKCLFWLVSA-N/CHMO0000473#sample> ;
    dct:title "atmospheric pressure chemical ionisation mass spectrometry (APCI MS)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/FPGOFNANYCIZRQ-KKCLFWLVSA-N/CHMO0000473#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/FPGOFNANYCIZRQ-KKCLFWLVSA-N/CHMO0000473#measurement> a chmo:0000473,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/FPGOFNANYCIZRQ-KKCLFWLVSA-N/CHMO0000473#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/172419624> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C27H26N2O4/c1-4-19-24(28-25(30)16-10-6-5-7-11-16)23-21(14-17(32-2)15-22(23)33-3)27(19)20-13-9-8-12-18(20)26(31)29-27/h5-15,19,24H,4H2,1-3H3,(H,28,30)(H,29,31)/t19-,24-,27+/m0/s1" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "COc1cc(OC)c2c(c1)[C@@]1(NC(=O)c3c1cccc3)[C@H]([C@@H]2NC(=O)c1ccccc1)CC" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C27H26N2O4" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "N-[(1S,2S,3S)-2-ethyl-5,7-dimethoxy-3'-oxospiro[1,2-dihydroindene-3,1'-2H-isoindole]-1-yl]benzamide" ],
        [ 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 "442.5063399999999"^^xsd:float ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "FPGOFNANYCIZRQ-KKCLFWLVSA-N" ] .

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

<https://doi.org/10.14272/FPGOFNANYCIZRQ-KKCLFWLVSA-N/CHMO0000473#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/172419624> ;
    dct:title "evaluated sample" .