@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/QUQGCQVELVOFJG-UHFFFAOYSA-L/CHMO0002541> 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 high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

""" ;
    dct:identifier "https://doi.org/10.14272/QUQGCQVELVOFJG-UHFFFAOYSA-L/CHMO0002541" ;
    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/QUQGCQVELVOFJG-UHFFFAOYSA-L/CHMO0002541#sample> ;
    dct:title "high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/QUQGCQVELVOFJG-UHFFFAOYSA-L/CHMO0002541#measurement> .

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

chmo:0002541 a schema1:DefinedTerm ;
    schema1:name "high-resolution electrospray ionisation time-of-flight mass spectrometry" .

<https://doi.org/10.14272/QUQGCQVELVOFJG-UHFFFAOYSA-L/CHMO0002541#measurement> a chmo:0002541,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/QUQGCQVELVOFJG-UHFFFAOYSA-L/CHMO0002541#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/168499159> 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 "481.24339999999995"^^xsd:float ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "2-[8-[bis(dimethylamino)methylideneamino]naphthalen-1-yl]-1,1,3,3-tetramethylguanidine;dichloroiron" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CN(C(=Nc1cccc2c1c(ccc2)N=C(N(C)C)N(C)C)N(C)C)C.Cl[Fe]Cl" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C20H30Cl2FeN6" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "QUQGCQVELVOFJG-UHFFFAOYSA-L" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C20H30N6.2ClH.Fe/c1-23(2)19(24(3)4)21-16-13-9-11-15-12-10-14-17(18(15)16)22-20(25(5)6)26(7)8;;;/h9-14H,1-8H3;2*1H;/q;;;+2/p-2" ] .

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

<https://doi.org/10.14272/QUQGCQVELVOFJG-UHFFFAOYSA-L/CHMO0002541#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/168499159> ;
    dct:title "evaluated sample" .