@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.s1397.d6187> 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 -Phalloidin Nucleus: 1H NMR Solvent: DMSO NMR Probe: Z810701_0059 (PA BBI 500S2 H-BB-D-05 Z) NMR Pulse Sequence: 1d Temperature: 348.0144 Observed Frequency: 500.19 Magnetic Field Strength: 11.74775999581523 Number of Scans: 16 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: 348.119 Observed Frequency: 500.19,500.19 Magnetic Field Strength: 11.74775999581523 Number of Scans: 8 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: 348.3282 Observed Frequency: 500.19,125.772876 Magnetic Field Strength: 11.74775999581523 Number of Scans: 16 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: hmbc Temperature: 348.0144 Observed Frequency: 500.19,125.772876 Magnetic Field Strength: 11.74775999581523 Number of Scans: 64 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: 1H,1H NMR Solvent: DMSO NMR Probe: Z810701_0059 (PA BBI 500S2 H-BB-D-05 Z) NMR Pulse Sequence: tocsy Temperature: 348.0144 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: 4096,64 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: hsqc Temperature: 348.0144 Observed Frequency: 500.19,125.772876 Magnetic Field Strength: 11.74775999581523 Number of Scans: 32 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: roesy Temperature: 348.0144 Observed Frequency: 500.19,500.19 Magnetic Field Strength: 11.74775999581523 Number of Scans: 16 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: 13C NMR Solvent: DMSO NMR Probe: Z810701_0059 (PA BBI 500S2 H-BB-D-05 Z) NMR Pulse Sequence: 1d Temperature: 348.0144 Observed Frequency: 125.772876 Magnetic Field Strength: 11.745970784482695 Number of Scans: 4096 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.s1397.d6187" ;
    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.s1397.d6187#sample> ;
    dct:title "Phalloidin[6]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p143.s1397.d6187#measurement> .

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

chmo:0000604 a schema1:DefinedTerm ;
    schema1:name "heteronuclear single quantum coherence" .

<https://doi.org/10.57992/nmrxiv.p143.s1397.d6187#measurement> a chmo:0000604,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p143.s1397.d6187#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/441542> a chebi:23367 ;
    sio:000008 [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C35H48N8O11S/c1-15-27(47)38-22-10-20-19-7-5-6-8-21(19)41-33(20)55-13-24(34(53)43-12-18(46)9-25(43)31(51)37-15)40-32(52)26(17(3)45)42-28(48)16(2)36-30(50)23(39-29(22)49)11-35(4,54)14-44/h5-8,15-18,22-26,41,44-46,54H,9-14H2,1-4H3,(H,36,50)(H,37,51)(H,38,47)(H,39,49)(H,40,52)(H,42,48)/t15-,16-,17-,18-,22-,23-,24-,25-,26+,35+/m0/s1" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "KPKZJLCSROULON-QKGLWVMZSA-N" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C[C@@H]1NC(=O)[C@H](C[C@@](C)(O)CO)NC(=O)[C@@H]2CC3=C(NC4=C3C=CC=C4)SC[C@H](NC(=O)[C@@H]([C@H](C)O)NC1=O)C(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](C)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.s1397.d6187#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/441542> ;
    dct:title "evaluated sample" .