@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/RJJPADYKFCVKLL-UHFFFAOYSA-N/CHMO0000563> 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/RJJPADYKFCVKLL-UHFFFAOYSA-N/CHMO0000563" ;
    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/RJJPADYKFCVKLL-UHFFFAOYSA-N/CHMO0000563#sample> ;
    dct:title "fast-atom bombardment mass spectrometry (FABMS)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/RJJPADYKFCVKLL-UHFFFAOYSA-N/CHMO0000563#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/RJJPADYKFCVKLL-UHFFFAOYSA-N/CHMO0000563#measurement> a chmo:0000563,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/RJJPADYKFCVKLL-UHFFFAOYSA-N/CHMO0000563#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/163407591> a chebi:23367 ;
    sio:000008 [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "tripropan-2-yl 2,4,6-triaminobenzene-1,3,5-tricarboxylate" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "RJJPADYKFCVKLL-UHFFFAOYSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C18H27N3O6/c1-7(2)25-16(22)10-13(19)11(17(23)26-8(3)4)15(21)12(14(10)20)18(24)27-9(5)6/h7-9H,19-21H2,1-6H3" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC(OC(=O)c1c(N)c(C(=O)OC(C)C)c(c(c1N)C(=O)OC(C)C)N)C" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C18H27N3O6" ],
        [ 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 "381.4234799999999"^^xsd:float ] .

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

<https://doi.org/10.14272/RJJPADYKFCVKLL-UHFFFAOYSA-N/CHMO0000563#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/163407591> ;
    dct:title "evaluated sample" .