@prefix adms: <http://www.w3.org/ns/adms#> .
@prefix bfo: <http://purl.obolibrary.org/obo/BFO_> .
@prefix chebi: <http://purl.obolibrary.org/obo/CHEBI_> .
@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 skos: <http://www.w3.org/2004/02/skos/core#> .
@prefix xsd: <http://www.w3.org/2001/XMLSchema#> .

<https://search.nfdi4chem.de/dataset/msbnk-bafg-csl2311093917> a dcat:Dataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:description "https://w3id.org/nfdi-de/dcat-ap-plus/chemistry/" ;
            dct:title "ChemDCAT-AP" ] ;
    dct:description "This MassBank record with Accession MSBNK-BAFG-CSL2311093917 contains the MS2 mass spectrum of Emamectin with the InChIkey CXEGAUYXQAKHKJ-FYOMLGFFSA-N." ;
    dct:identifier "https://search.nfdi4chem.de/dataset/msbnk-bafg-csl2311093917" ;
    dct:issued "2024-01-11"^^xsd:date ;
    dct:language [ a dct:LinguisticSystem ;
            dct:description "http://id.loc.gov/vocabulary/iso639-1/en" ;
            dct:title "en" ] ;
    dct:modified "2025-07-14"^^xsd:date ;
    dct:publisher [ a foaf:Agent ;
            dct:type [ a skos:Concept ;
                    dct:description "http://purl.org/adms/publishertype/Academia-ScientificOrganisation" ;
                    skos:prefLabel "Academia/Scientific organisation" ] ;
            foaf:name "MassBank" ] ;
    dct:subject <https://search.nfdi4chem.de/dataset/msbnk-bafg-csl2311093917#sample> ;
    dct:title "Emamectin; LC-ESI-QTOF; MS2; 120 V" ;
    adms:identifier [ a adms:Identifier ;
            dct:description "The id of this dataset within the NFDI4Chem Search Service (https://search.nfdi4chem.de/)" ;
            dct:title "Search Service ID" ;
            skos:notation "https://search.nfdi4chem.de/dataset/msbnk-bafg-csl2311093917" ] ;
    dcat:landingPage <https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311093917> ;
    prov:wasGeneratedBy <https://search.nfdi4chem.de/dataset/msbnk-bafg-csl2311093917#measurement> .

chmo:0000524 a schema1:DefinedTerm ;
    schema1:name "liquid chromatography-mass spectrometry" .

<https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311093917> a foaf:Document .

<https://pubchem.ncbi.nlm.nih.gov/compound/57507888> 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 "885.5238"^^xsd:float ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C49H75NO13/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31+,32-,34+,35-,36-,37+,38-,39-,40-,41+,42+,43-,44+,45-,46+,48+,49+/m0/s1" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "CXEGAUYXQAKHKJ-FYOMLGFFSA-N" ],
        [ a cheminf:000042 ;
            dct:title "assigned molecular formula" ;
            prov:value "C49H75NO13" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C/C([C@](O[C@H]1C[C@H](OC)[C@](O[C@@H]2O[C@H](C)[C@@H](NC)[C@H](OC)C2)([H])[C@H](C)O1)([H])[C@@H](C)/C=C/C=C(CO3)/[C@@]([C@@]3([H])[C@H](O)C(C)=C4)(O)[C@@H]4C(O5)=O)=C\\C[C@@H]6C[C@H]5C[C@]7(C=C[C@H](C)[C@]([C@@H](C)CC)([H])O7)O6" ] .

<https://search.nfdi4chem.de/dataset/msbnk-bafg-csl2311093917#measurement> a chmo:0000524,
        prov:Activity ;
    dct:description "The kind of activity/process used to generate the dataset" ;
    prov:used <https://search.nfdi4chem.de/dataset/msbnk-bafg-csl2311093917#sample> .

<https://search.nfdi4chem.de/dataset/msbnk-bafg-csl2311093917#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/57507888> ;
    dct:title "evaluated sample" .