@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 dcatap: <http://data.europa.eu/r5r/> .
@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://search.nfdi4chem.de/dataset/msbnk-waters-wa001605> a dcat:Dataset ;
    dcatap:applicableLegislation <https://creativecommons.org/licenses/by-nc/4.0> ;
    dct:conformsTo [ a dct:Standard ;
            dct:description "https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/" ;
            dct:title "ChemDCAT-AP" ] ;
    dct:description "This MassBank record with Accession MSBNK-Waters-WA001605 contains the MS mass spectrum of Capsaicin with the InChIkey YKPUWZUDDOIDPM-SOFGYWHQSA-N." ;
    dct:identifier "https://search.nfdi4chem.de/dataset/msbnk-waters-wa001605" ;
    dct:issued "2024-01-11"^^xsd:date ;
    dct:language [ a dct:LinguisticSystem ;
            dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ;
            dct:title "en" ] ;
    dct:modified "2025-07-15"^^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 "MassBank" ] ;
    dct:subject <https://search.nfdi4chem.de/dataset/msbnk-waters-wa001605#sample> ;
    dct:title "Capsaicin; LC-ESI-Q; MS; POS; 30 V" ;
    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/msbnk-waters-wa001605" ] ;
    dcat:landingPage <https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001605> ;
    prov:wasGeneratedBy <https://search.nfdi4chem.de/dataset/msbnk-waters-wa001605#measurement> .

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

<https://creativecommons.org/licenses/by-nc/4.0> a <http://data.europa.eu/eli/ontology#LegalResource> ;
    dct:title "Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)" .

<https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001605> a foaf:Document .

<https://pubchem.ncbi.nlm.nih.gov/compound/1548943> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC" ],
        [ a cheminf:000042 ;
            dct:title "assigned molecular formula" ;
            prov:value "C18H27NO3" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "YKPUWZUDDOIDPM-SOFGYWHQSA-N" ],
        [ 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 "305.199094"^^xsd:float ] .

<https://search.nfdi4chem.de/dataset/msbnk-waters-wa001605#measurement> a chmo:0000524,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://search.nfdi4chem.de/dataset/msbnk-waters-wa001605#sample> .

<https://search.nfdi4chem.de/dataset/msbnk-waters-wa001605#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/1548943> ;
    dct:title "evaluated sample" .