@prefix adms: <http://www.w3.org/ns/adms#> .
@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@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 skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://doi.org/10.14272/HIJXLLJBVNQJME-UHFFFAOYSA-N/CHMO0000498> a dcat:Dataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:description "https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/" ;
            dct:title "ChemDCAT-AP" ] ;
    dct:creator [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "A human being." ;
                    skos:prefLabel "person" ] ;
            foaf:name "Lisa Schmidt" ] ;
    dct:description "dataset for high-resolution mass spectrometry (HRMS)" ;
    dct:identifier "https://doi.org/10.14272/HIJXLLJBVNQJME-UHFFFAOYSA-N/CHMO0000498" ;
    dct:issued "2024-09-07"^^xsd:date ;
    dct:language [ a dct:LinguisticSystem ;
            dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ;
            dct:title "en" ] ;
    dct:modified "2025-12-03"^^xsd:date ;
    dct:publisher [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "http://purl.org/adms/publishertype/Academia-ScientificOrganisation" ;
                    skos:prefLabel "Academia/Scientific organisation" ] ;
            foaf:name "Chemotion - Repository " ] ;
    dct:subject <https://doi.org/10.14272/HIJXLLJBVNQJME-UHFFFAOYSA-N/CHMO0000498#sample> ;
    dct:title "high-resolution mass spectrometry (HRMS)" ;
    adms:identifier [ a adms:Identifier ;
            dct:description "The id of this dataset within the NFDI4Chem Search Service (https://search.nfdi4chem.de/)" ;
            dct:title "Search Service ID" ;
            skos:notation "https://search.nfdi4chem.de/dataset/10-14272-hijxlljbvnqjme-uhfffaoysa-n-chmo0000498" ],
        [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.14272/HIJXLLJBVNQJME-UHFFFAOYSA-N/CHMO0000498" ] ;
    dcat:landingPage <https://www.chemotion-repository.net/inchikey/HIJXLLJBVNQJME-UHFFFAOYSA-N/CHMO0000498> ;
    prov:wasGeneratedBy <https://doi.org/10.14272/HIJXLLJBVNQJME-UHFFFAOYSA-N/CHMO0000498#measurement> .

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

<https://doi.org/10.14272/HIJXLLJBVNQJME-UHFFFAOYSA-N/CHMO0000498#measurement> a chmo:0000498,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.14272/HIJXLLJBVNQJME-UHFFFAOYSA-N/CHMO0000498#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/163407589> a chebi:23367 ;
    sio:000008 [ 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 "918.3444600000003"^^xsd:float ],
        [ a cheminf:000042 ;
            dct:title "assigned molecular formula" ;
            prov:value "C36H24Br3N9O6" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C36H24Br3N9O6/c1-52-34(49)28-31(46-16-25(40-43-46)19-4-10-22(37)11-5-19)29(35(50)53-2)33(48-18-27(42-45-48)21-8-14-24(39)15-9-21)30(36(51)54-3)32(28)47-17-26(41-44-47)20-6-12-23(38)13-7-20/h4-18H,1-3H3" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "HIJXLLJBVNQJME-UHFFFAOYSA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "COC(=O)c1c(n2nnc(c2)c2ccc(cc2)Br)c(C(=O)OC)c(c(c1n1nnc(c1)c1ccc(cc1)Br)C(=O)OC)n1nnc(c1)c1ccc(cc1)Br" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "trimethyl 2,4,6-tris[4-(4-bromophenyl)triazol-1-yl]benzene-1,3,5-tricarboxylate" ] .

<https://www.chemotion-repository.net/inchikey/HIJXLLJBVNQJME-UHFFFAOYSA-N/CHMO0000498> a foaf:Document .

<https://doi.org/10.14272/HIJXLLJBVNQJME-UHFFFAOYSA-N/CHMO0000498#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/163407589> ;
    dct:title "evaluated sample" .