@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/SFYOEOMJOCGUAE-UHFFFAOYSA-N/CHMO0000563.1> 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 fast-atom bombardment mass spectrometry (FABMS)

""" ;
    dct:identifier "https://doi.org/10.14272/SFYOEOMJOCGUAE-UHFFFAOYSA-N/CHMO0000563.1" ;
    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/SFYOEOMJOCGUAE-UHFFFAOYSA-N/CHMO0000563.1#sample> ;
    dct:title "fast-atom bombardment mass spectrometry (FABMS)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/SFYOEOMJOCGUAE-UHFFFAOYSA-N/CHMO0000563.1#measurement> .

<http://id.loc.gov/vocabulary/iso639-1/en> a dct:LinguisticSystem .

chmo:0000563 a schema1:DefinedTerm ;
    schema1:name "fast-atom bombardment mass spectrometry" .

<https://doi.org/10.14272/SFYOEOMJOCGUAE-UHFFFAOYSA-N/CHMO0000563.1#measurement> a chmo:0000563,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/SFYOEOMJOCGUAE-UHFFFAOYSA-N/CHMO0000563.1#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/163197172> a chebi:23367 ;
    sio:000008 [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC(Nc1nc2c(c3c1cccc3)nc1n2cccc1)(C)C" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C18H18N4/c1-18(2,3)21-16-13-9-5-4-8-12(13)15-17(20-16)22-11-7-6-10-14(22)19-15/h4-11H,1-3H3,(H,20,21)" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "SFYOEOMJOCGUAE-UHFFFAOYSA-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 "290.36232"^^xsd:float ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "N-tert-butyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-8-amine" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C18H18N4" ] .

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

<https://doi.org/10.14272/SFYOEOMJOCGUAE-UHFFFAOYSA-N/CHMO0000563.1#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/163197172> ;
    dct:title "evaluated sample" .