@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/UZOCJOWAWRLPHI-RLHIYFKTSA-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/UZOCJOWAWRLPHI-RLHIYFKTSA-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/UZOCJOWAWRLPHI-RLHIYFKTSA-N/CHMO0000470#sample> ;
    dct:title "mass spectrometry (MS)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/UZOCJOWAWRLPHI-RLHIYFKTSA-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/UZOCJOWAWRLPHI-RLHIYFKTSA-N/CHMO0000470#measurement> a chmo:0000470,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/UZOCJOWAWRLPHI-RLHIYFKTSA-N/CHMO0000470#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/163197181> a chebi:23367 ;
    sio:000008 [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C102H118N12O4Si2" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "UZOCJOWAWRLPHI-RLHIYFKTSA-N" ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "tert-butyl-[12-[3-[(E)-2-[3-[(E)-2-[3-[(E)-2-[4-[(E)-2-[3-[(E)-2-[3-[(E)-2-[3-[12-[tert-butyl(dimethyl)silyl]oxydodecoxy]quinoxalin-2-yl]ethenyl]quinoxalin-2-yl]ethenyl]quinoxalin-2-yl]ethenyl]phenyl]ethenyl]quinoxalin-2-yl]ethenyl]quinoxalin-2-yl]ethenyl]quinoxalin-2-yl]oxydodecoxy]-dimethylsilane" ],
        [ 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 "1632.277319999999"^^xsd:float ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C102H118N12O4Si2/c1-101(2,3)119(7,8)117-73-41-25-21-17-13-11-15-19-23-39-71-115-99-97(111-85-51-35-37-53-87(85)113-99)69-67-95-93(107-81-47-31-33-49-83(81)109-95)65-63-91-89(103-77-43-27-29-45-79(77)105-91)61-59-75-55-57-76(58-56-75)60-62-90-92(106-80-46-30-28-44-78(80)104-90)64-66-94-96(110-84-50-34-32-48-82(84)108-94)68-70-98-100(114-88-54-38-36-52-86(88)112-98)116-72-40-24-20-16-12-14-18-22-26-42-74-118-120(9,10)102(4,5)6/h27-38,43-70H,11-26,39-42,71-74H2,1-10H3/b61-59+,62-60+,65-63+,66-64+,69-67+,70-68+" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC([Si](OCCCCCCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1ccc(cc1)/C=C/c1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1OCCCCCCCCCCCCO[Si](C(C)(C)C)(C)C)(C)C)(C)C" ] .

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

<https://doi.org/10.14272/UZOCJOWAWRLPHI-RLHIYFKTSA-N/CHMO0000470#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/163197181> ;
    dct:title "evaluated sample" .