@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 prov: <http://www.w3.org/ns/prov#> .
@prefix schema1: <http://schema.org/> .
@prefix sio: <http://semanticscience.org/resource/SIO_> .

<https://doi.org/10.57992/nmrxiv.p143.s1399.d6197> a dcat:Dataset,
        chemdcatap:SubstanceSampleCharacterizationDataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:description "This dataset contains NMR spectra obtained for the sample -Alpha-amanitin Nucleus: 1H NMR Solvent: DMSO NMR Probe: Z810701_0059 (PA BBI 500S2 H-BB-D-05 Z) NMR Pulse Sequence: 1d Temperature: 342.9922 Observed Frequency: 500.19 Magnetic Field Strength: 11.74775999581523 Number of Scans: 32 NMR Pulse Sequence: zg30 Spectral Width: 19.9922629410624 Number of Data Points: 65536 Relaxation Delay: 2 Observed Frequency: 500.19350133 Nucleus: 1H,1H NMR Solvent: DMSO NMR Probe: Z810701_0059 (PA BBI 500S2 H-BB-D-05 Z) NMR Pulse Sequence: cosy Temperature: 342.9922 Observed Frequency: 500.19,500.19 Magnetic Field Strength: 11.74775999581523 Number of Scans: 16 NMR Pulse Sequence: cosygpppqf Spectral Width: 12.0145931088975,12.0001698278544 Number of Data Points: 4096,128 Relaxation Delay: 1 Observed Frequency: 500.19300114,500.19300114 Nucleus: 1H,13C NMR Solvent: DMSO NMR Probe: Z810701_0059 (PA BBI 500S2 H-BB-D-05 Z) NMR Pulse Sequence: hsqc Temperature: 343.0969 Observed Frequency: 500.19,125.772876 Magnetic Field Strength: 11.74775999581523 Number of Scans: 48 NMR Pulse Sequence: hsqcedetgpsisp2.4 Spectral Width: 12.0145931088975,190.194363209053 Number of Data Points: 2048,64 Relaxation Delay: 1 Observed Frequency: 500.19300114,125.78419555884 Nucleus: 1H,13C NMR Solvent: DMSO NMR Probe: Z810701_0059 (PA BBI 500S2 H-BB-D-05 Z) NMR Pulse Sequence: hsqc Temperature: 342.9922 Observed Frequency: 500.19,125.772876 Magnetic Field Strength: 11.74775999581523 Number of Scans: 64 NMR Pulse Sequence: hsqcdiedetgpsisp.2 Spectral Width: 12.0145931088975,190.194363209053 Number of Data Points: 2048,64 Relaxation Delay: 1 Observed Frequency: 500.19300114,125.78419555884 Nucleus: 1H,1H NMR Solvent: DMSO NMR Probe: Z810701_0059 (PA BBI 500S2 H-BB-D-05 Z) NMR Pulse Sequence: tocsy Temperature: 342.8876 Observed Frequency: 500.19,500.19 Magnetic Field Strength: 11.74775999581523 Number of Scans: 16 NMR Pulse Sequence: mlevph Spectral Width: 12.0145931088975,12.0001698278544 Number of Data Points: 2048,64 Relaxation Delay: 1.3 Observed Frequency: 500.19300114,500.19300114 Nucleus: 1H,1H NMR Solvent: DMSO NMR Probe: Z810701_0059 (PA BBI 500S2 H-BB-D-05 Z) NMR Pulse Sequence: roesy Temperature: 342.9922 Observed Frequency: 500.19,500.19 Magnetic Field Strength: 11.74775999581523 Number of Scans: 32 NMR Pulse Sequence: roesyphpp.2 Spectral Width: 12.0145931088975,12.0001698278544 Number of Data Points: 4096,256 Relaxation Delay: 1.3 Observed Frequency: 500.19300114,500.19300114 Nucleus: 1H,13C NMR Solvent: DMSO NMR Probe: Z810701_0059 (PA BBI 500S2 H-BB-D-05 Z) NMR Pulse Sequence: hmbc Temperature: 342.9922 Observed Frequency: 500.19,125.772876 Magnetic Field Strength: 11.74775999581523 Number of Scans: 200 NMR Pulse Sequence: hmbcctetgpl2nd Spectral Width: 12.0145931088975,219.615597660012 Number of Data Points: 2048,128 Relaxation Delay: 1 Observed Frequency: 500.19300114,125.78482442322 Nucleus: 13C NMR Solvent: DMSO NMR Probe: Z810701_0059 (PA BBI 500S2 H-BB-D-05 Z) NMR Pulse Sequence: 1d Temperature: 342.9922 Observed Frequency: 125.772876 Magnetic Field Strength: 11.745970784482695 Number of Scans: 8192 NMR Pulse Sequence: udeft-jfg Spectral Width: 236.606113010093 Number of Data Points: 21424 Relaxation Delay: 2 Observed Frequency: 125.78671101636" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p143.s1399.d6197" ;
    dct:language <http://id.loc.gov/vocabulary/iso639-1/en> ;
    dct:publisher <https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> ;
    dct:subject <https://doi.org/10.57992/nmrxiv.p143.s1399.d6197#sample> ;
    dct:title "Alpha-amanitin[2]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p143.s1399.d6197#measurement> .

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

chmo:0000599 a schema1:DefinedTerm ;
    schema1:name "correlation spectroscopy" .

<https://doi.org/10.57992/nmrxiv.p143.s1399.d6197#measurement> a chmo:0000599,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p143.s1399.d6197#sample> .

<https://doi.org/10.57992/nmrxiv.p143.s1399.d6197#sample_compound> a chebi:23367 ;
    sio:000008 [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "ZDUCMKTVSXLETR-FSVBIDJLSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C39H55N9O13S/c1-4-18(2)32-37(59)41-12-29(52)43-26-17-62(61)39-23(22-7-5-6-8-24(22)45-39)11-25(34(56)40-13-30(53)46-32)44-38(60)33(19(3)28(51)16-49)47-36(58)27-10-21(50)15-48(27)14-20(9-31(54)55)42-35(26)57/h5-8,18-21,25-28,32-33,45,49-51H,4,9-17H2,1-3H3,(H,40,56)(H,41,59)(H,42,57)(H,43,52)(H,44,60)(H,46,53)(H,47,58)(H,54,55)/t18-,19-,20-,21+,25-,26-,27-,28-,32-,33-,62+/m0/s1" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CC3=C(NC4=C3C=CC=C4)[S@+]([O-])C[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)O)CN1C[C@H](O)C[C@H]1C(=O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(=O)N2" ] .

<https://search.nfdi4chem.de/organization/14e443f8-70e7-497d-9785-3727d79901ab> a foaf:Organization ;
    foaf:name "nmrXiv" .

<https://doi.org/10.57992/nmrxiv.p143.s1399.d6197#sample> a sio:001378 ;
    bfo:0000051 <https://doi.org/10.57992/nmrxiv.p143.s1399.d6197#sample_compound> ;
    dct:title "evaluated sample" .