@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/MQPKONIEQRYHFG-XFTNXAEASA-N/CHMO0001150> 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 1H--1H correlation spectroscopy (1H-1H COSY)

""" ;
    dct:identifier "https://doi.org/10.14272/MQPKONIEQRYHFG-XFTNXAEASA-N/CHMO0001150" ;
    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/MQPKONIEQRYHFG-XFTNXAEASA-N/CHMO0001150#sample> ;
    dct:title "1H--1H correlation spectroscopy (1H-1H COSY)" ;
    prov:wasGeneratedBy <https://doi.org/10.14272/MQPKONIEQRYHFG-XFTNXAEASA-N/CHMO0001150#measurement> .

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

chmo:0001150 a schema1:DefinedTerm ;
    schema1:name "1H–1H correlation spectroscopy" .

<https://doi.org/10.14272/MQPKONIEQRYHFG-XFTNXAEASA-N/CHMO0001150#measurement> a chmo:0001150,
        prov:Activity ;
    prov:used <https://doi.org/10.14272/MQPKONIEQRYHFG-XFTNXAEASA-N/CHMO0001150#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/156599651> 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 "582.6926199999998"^^xsd:float ],
        [ a cheminf:000107 ;
            dct:title "assigned IUPAC name" ;
            prov:value "(3S,6S,9S,12R)-3,6-bis(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C33H38N6O4" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC(C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2)C" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C33H38N6O4/c1-19(2)14-26-30(40)36-27(15-20-17-34-24-10-5-3-8-22(20)24)31(41)38-28(16-21-18-35-25-11-6-4-9-23(21)25)33(43)39-13-7-12-29(39)32(42)37-26/h3-6,8-11,17-19,26-29,34-35H,7,12-16H2,1-2H3,(H,36,40)(H,37,42)(H,38,41)/t26-,27-,28-,29+/m0/s1" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "MQPKONIEQRYHFG-XFTNXAEASA-N" ] .

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

<https://doi.org/10.14272/MQPKONIEQRYHFG-XFTNXAEASA-N/CHMO0001150#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/156599651> ;
    dct:title "evaluated sample" .