@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/JJCSWCBTTYWIMA-UHFFFAOYSA-N/CHMO0000470> 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 mass spectrometry (MS)

""" ;
    dct:identifier "https://doi.org/10.14272/JJCSWCBTTYWIMA-UHFFFAOYSA-N/CHMO0000470" ;
    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/JJCSWCBTTYWIMA-UHFFFAOYSA-N/CHMO0000470#sample> ;
    dct:title "mass spectrometry (MS)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/JJCSWCBTTYWIMA-UHFFFAOYSA-N/CHMO0000470#measurement> .

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

chmo:0000470 a schema1:DefinedTerm ;
    schema1:name "mass spectrometry" .

<https://doi.org/10.14272/JJCSWCBTTYWIMA-UHFFFAOYSA-N/CHMO0000470#measurement> a chmo:0000470,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/JJCSWCBTTYWIMA-UHFFFAOYSA-N/CHMO0000470#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/171365149> 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 "1699.2109160000007"^^xsd:float ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C114H120F5N7O/c1-105(2,3)61-31-41-81-71(51-61)72-52-62(106(4,5)6)32-42-82(72)122(81)98-92(104-121-120-103(127-104)91-93(115)95(117)97(119)96(118)94(91)116)99(123-83-43-33-63(107(7,8)9)53-73(83)74-54-64(108(10,11)12)34-44-84(74)123)101(125-87-47-37-67(111(19,20)21)57-77(87)78-58-68(112(22,23)24)38-48-88(78)125)102(126-89-49-39-69(113(25,26)27)59-79(89)80-60-70(114(28,29)30)40-50-90(80)126)100(98)124-85-45-35-65(109(13,14)15)55-75(85)76-56-66(110(16,17)18)36-46-86(76)124/h31-60H,1-30H3" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "Fc1c(F)c(c2nnc(o2)c2c(n3c4ccc(cc4c4c3ccc(c4)C(C)(C)C)C(C)(C)C)c(n3c4ccc(cc4c4c3ccc(c4)C(C)(C)C)C(C)(C)C)c(c(c2n2c3ccc(cc3c3c2ccc(c3)C(C)(C)C)C(C)(C)C)n2c3ccc(cc3c3c2ccc(c3)C(C)(C)C)C(C)(C)C)n2c3ccc(cc3c3c2ccc(c3)C(C)(C)C)C(C)(C)C)c(c(c1F)F)F" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "JJCSWCBTTYWIMA-UHFFFAOYSA-N" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "2-(2,3,4,5,6-pentafluorophenyl)-5-[2,3,4,5,6-pentakis(3,6-ditert-butylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C114H120F5N7O" ] .

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

<https://doi.org/10.14272/JJCSWCBTTYWIMA-UHFFFAOYSA-N/CHMO0000470#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/171365149> ;
    dct:title "evaluated sample" .