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

<https://pubchem.ncbi.nlm.nih.gov/compound/163197206> 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 "1563.9280000000006"^^xsd:float ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "2-[(E)-2-(3-octoxyquinoxalin-2-yl)ethenyl]-3-[(E)-2-[3-[(E)-2-[4-[(E)-2-[3-[(E)-2-[3-[(E)-2-(3-octoxyquinoxalin-2-yl)ethenyl]-6,7-diphenylquinoxalin-2-yl]ethenyl]quinoxalin-2-yl]ethenyl]phenyl]ethenyl]quinoxalin-2-yl]ethenyl]-6,7-diphenylquinoxaline" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "DUIPPOCVWFEWBX-WXUNRCGOSA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(c3ccccc3)c(cc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1ccc(cc1)/C=C/c1nc2ccccc2nc1/C=C/c1nc2cc(c3ccccc3)c(cc2nc1/C=C/c1nc2ccccc2nc1OCCCCCCCC)c1ccccc1)c1ccccc1" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C106H90N12O2" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C106H90N12O2/c1-3-5-7-9-11-33-67-119-105-99(111-87-47-29-31-49-89(87)117-105)65-63-97-95(113-101-69-79(75-35-17-13-18-36-75)81(71-103(101)115-97)77-39-21-15-22-40-77)61-59-93-91(107-83-43-25-27-45-85(83)109-93)57-55-73-51-53-74(54-52-73)56-58-92-94(110-86-46-28-26-44-84(86)108-92)60-62-96-98(64-66-100-106(120-68-34-12-10-8-6-4-2)118-90-50-32-30-48-88(90)112-100)116-104-72-82(78-41-23-16-24-42-78)80(70-102(104)114-96)76-37-19-14-20-38-76/h13-32,35-66,69-72H,3-12,33-34,67-68H2,1-2H3/b57-55+,58-56+,61-59+,62-60+,65-63+,66-64+" ] .

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

<https://doi.org/10.14272/DUIPPOCVWFEWBX-WXUNRCGOSA-N/CHMO0000470#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/163197206> ;
    dct:title "evaluated sample" .