@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/OSJUMAZEBBEMPZ-GSVOJQHPSA-N/CHMO0000524> 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 "Kamil Akmermer" ] ;
    dct:description "dataset for liquid chromatography-mass spectrometry (LCMS)" ;
    dct:identifier "https://doi.org/10.14272/OSJUMAZEBBEMPZ-GSVOJQHPSA-N/CHMO0000524" ;
    dct:issued "2024-09-08"^^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/OSJUMAZEBBEMPZ-GSVOJQHPSA-N/CHMO0000524#sample> ;
    dct:title "liquid chromatography-mass spectrometry (LCMS)" ;
    adms:identifier [ a adms:Identifier ;
            dct:description "The DOI of this dataset" ;
            dct:title "DOI" ;
            skos:notation "10.14272/OSJUMAZEBBEMPZ-GSVOJQHPSA-N/CHMO0000524" ],
        [ 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-osjumazebbempz-gsvojqhpsa-n-chmo0000524" ] ;
    dcat:landingPage <https://www.chemotion-repository.net/inchikey/OSJUMAZEBBEMPZ-GSVOJQHPSA-N/CHMO0000524> ;
    prov:wasGeneratedBy <https://doi.org/10.14272/OSJUMAZEBBEMPZ-GSVOJQHPSA-N/CHMO0000524#measurement> .

chmo:0000524 a schema1:DefinedTerm ;
    schema1:name "liquid chromatography-mass spectrometry" .

<https://doi.org/10.14272/OSJUMAZEBBEMPZ-GSVOJQHPSA-N/CHMO0000524#measurement> a chmo:0000524,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://doi.org/10.14272/OSJUMAZEBBEMPZ-GSVOJQHPSA-N/CHMO0000524#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/171118547> 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 "932.9317000000001"^^xsd:float ],
        [ a cheminf:000042 ;
            dct:title "assigned molecular formula" ;
            prov:value "C51H55Cl2N7O6" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "NCCCCN1CC(=O)N(Cc2ccc(cc2)Cl)CC(=O)N(Cc2ccccc2)CC(=O)N(CC(=O)N[C@H](C(=O)N[C@H](C1=O)Cc1ccccc1)Cc1ccccc1)Cc1ccc(cc1)Cl" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C51H55Cl2N7O6/c52-42-22-18-40(19-23-42)31-58-33-46(61)55-44(28-37-12-4-1-5-13-37)50(65)56-45(29-38-14-6-2-7-15-38)51(66)57(27-11-10-26-54)34-47(62)60(32-41-20-24-43(53)25-21-41)36-49(64)59(35-48(58)63)30-39-16-8-3-9-17-39/h1-9,12-25,44-45H,10-11,26-36,54H2,(H,55,61)(H,56,65)/t44-,45-/m0/s1" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "OSJUMAZEBBEMPZ-GSVOJQHPSA-N" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "(3S,6S)-1-(4-aminobutyl)-3,6,13-tribenzyl-10,16-bis[(4-chlorophenyl)methyl]-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone" ] .

<https://www.chemotion-repository.net/inchikey/OSJUMAZEBBEMPZ-GSVOJQHPSA-N/CHMO0000524> a foaf:Document .

<https://doi.org/10.14272/OSJUMAZEBBEMPZ-GSVOJQHPSA-N/CHMO0000524#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/171118547> ;
    dct:title "evaluated sample" .