@prefix adms: <http://www.w3.org/ns/adms#> .
@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 skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://search.nfdi4chem.de/dataset/msbnk-bafg-csl23111027563> a dcat:Dataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:description "https://w3id.org/nfdi-de/dcat-ap-plus" ;
            dct:title "DCAT-AP-PLUS" ] ;
    dct:description "This MassBank record with Accession MSBNK-BAFG-CSL23111027563 contains the MS2 mass spectrum of 2-[(Dimethylamino)methyl]benzonitrile with the InChIkey LCBWEMRQKBKAEN-UHFFFAOYSA-N." ;
    dct:identifier "https://search.nfdi4chem.de/dataset/msbnk-bafg-csl23111027563" ;
    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 "2025-07-14"^^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-bafg-csl23111027563#sample> ;
    dct:title "2-[(Dimethylamino)methyl]benzonitrile; LC-ESI-QTOF; MS2; 20 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-bafg-csl23111027563" ] ;
    dcat:landingPage <https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111027563> ;
    prov:wasGeneratedBy <https://search.nfdi4chem.de/dataset/msbnk-bafg-csl23111027563#measurement> .

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

cheminf:000018 a schema1:DefinedTerm ;
    schema1:name "SMILES" .

cheminf:000042 a schema1:DefinedTerm ;
    schema1:name "molecular formula" .

cheminf:000059 a schema1:DefinedTerm ;
    schema1:name "InChiKey" .

cheminf:000113 a schema1:DefinedTerm ;
    schema1:name "InChi" .

cheminf:000217 a schema1:DefinedTerm ;
    schema1:name "exact mass descriptor" .

<https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111027563> a foaf:Document .

<https://pubchem.ncbi.nlm.nih.gov/compound/4962636> a prov:Entity ;
    dct:relation [ a ns1:Quantity,
                cheminf:000217 ;
            dct:title "exact mass" ;
            ns1:hasQuantityKind <http://qudt.org/vocab/quantitykind/MolarMass> ;
            ns1:unit <https://qudt.org/vocab/unit/GM-PER-MOL> ;
            prov:value "160.1"^^xsd:float ],
        [ a cheminf:000113,
                prov:Entity ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C10H12N2/c1-12(2)8-10-6-4-3-5-9(10)7-11/h3-6H,8H2,1-2H3" ],
        [ a cheminf:000042,
                prov:Entity ;
            dct:title "assigned molecular formula" ;
            prov:value "C10H12N2" ],
        [ a cheminf:000059,
                prov:Entity ;
            dct:title "assigned InChIKey" ;
            prov:value "LCBWEMRQKBKAEN-UHFFFAOYSA-N" ],
        [ a cheminf:000018,
                prov:Entity ;
            dct:title "assigned SMILES" ;
            prov:value "CN(C)CC1=CC=CC=C1C#N" ] .

<https://search.nfdi4chem.de/dataset/msbnk-bafg-csl23111027563#measurement> a chmo:0000524,
        prov:Activity ;
    prov:used <https://search.nfdi4chem.de/dataset/msbnk-bafg-csl23111027563#sample> .

<https://search.nfdi4chem.de/dataset/msbnk-bafg-csl23111027563#sample> a prov:Entity ;
    dct:hasPart <https://pubchem.ncbi.nlm.nih.gov/compound/4962636> ;
    dct:title "evaluated sample" .