@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/10.57992/nmrxiv.p52.s275.d1615> a dcat:Dataset,
        chemdcatap:SubstanceSampleCharacterizationDataset ;
    dct:conformsTo [ a dct:Standard ;
            dct:identifier <https://docs.nmrxiv.org/submission-guides/data-model/spectra.html> ] ;
    dct:description """Bruker standard tube for water suppresion
2 mM Sucrose 0.5 mM DSS 2 mM NaN3 in H2O/D2O 90/10, 5 mm
This dataset contains NMR spectra obtained for the sample -nmrxiv-pt-succrose date: 2024-01-01T22:21:28.000Z isFt: false name: nmrxiv-pt-succrose/1 phc0: 20.16592 phc1: 7.613534 type: NMR FID DECIM: 1600 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 21 nucleus: 1H reverse: false solvent: H2O+D2O dimension: 1 increment: 0.00004000000000000001 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 300.0006 spectrumSize: 65536 baseFrequency: 600.14 digitalFilter: 76 fieldStrength: 14.095245206891379 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 20.8283754628522 numberOfPoints: 8 relaxationTime: 1 acquisitionTime: 0.0002800000000000001 frequencyOffset: 2820.6580000187387 originFrequency: 600.142820658 pulseStrength90: 21496.130696474633 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:21:28.000Z isFt: true name: nmrxiv-pt-succrose/1 phc0: 20.16592 phc1: 7.613534 type: NMR Spectrum DECIM: 1600 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 21 nucleus: 1H reverse: false solvent: H2O+D2O dimension: 1 increment: 2.9754822089788857 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: 1d groupDelay: 76 temperature: 300.0006 spectrumSize: 65536 baseFrequency: 600.14 fieldStrength: 14.095245206891379 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 20.8283754628522 numberOfPoints: 8 relaxationTime: 1 acquisitionTime: 0.0002800000000000001 frequencyOffset: 2820.6580000187387 originFrequency: 600.142820658 pulseStrength90: 21496.130696474633 experimentNumber: 1 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:17:26.000Z isFt: false name: nmrxiv-pt-succrose/11 phc0: 201.7238 phc1: 3.604726 type: NMR FID DECIM: 1600 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 21 nucleus: 1H reverse: false solvent: H2O+D2O dimension: 1 increment: 0.00003999999999999999 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: null groupDelay: 76 temperature: 300.0006 spectrumSize: 131072 baseFrequency: 600.14 digitalFilter: 76 fieldStrength: 14.095245206891379 numberOfScans: 16 pulseSequence: hos_t1rho_esgppe1d spectralWidth: 20.8283754627828 numberOfPoints: 13 relaxationTime: 4 acquisitionTime: 0.00047999999999999985 frequencyOffset: 2820.659999997588 originFrequency: 600.14282066 pulseStrength90: 21496.130696474633 experimentNumber: 11 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:17:26.000Z isFt: true name: nmrxiv-pt-succrose/11 phc0: 201.7238 phc1: 3.604726 type: NMR Spectrum DECIM: 1600 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 21 nucleus: 1H reverse: false solvent: H2O+D2O dimension: 1 increment: 1.7356979552319 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: null groupDelay: 76 temperature: 300.0006 spectrumSize: 131072 baseFrequency: 600.14 fieldStrength: 14.095245206891379 numberOfScans: 16 pulseSequence: hos_t1rho_esgppe1d spectralWidth: 20.8283754627828 numberOfPoints: 13 relaxationTime: 4 acquisitionTime: 0.00047999999999999985 frequencyOffset: 2820.659999997588 originFrequency: 600.14282066 pulseStrength90: 21496.130696474633 experimentNumber: 11 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:29:03.000Z isFt: false name: nmrxiv-pt-succrose/13 phc0: 33.18 phc1: -223.117 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 0.000013999999999999973 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 300.0009 spectrumSize: 32768 baseFrequency: 150.905323028 digitalFilter: 68 fieldStrength: 14.092242664321525 numberOfScans: 16 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 16 relaxationTime: 2 acquisitionTime: 0.0002099999999999996 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 13 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:29:03.000Z isFt: true name: nmrxiv-pt-succrose/13 phc0: 33.18 phc1: -223.117 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 15.776211612288199 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 300.0009 spectrumSize: 32768 baseFrequency: 150.905323028 fieldStrength: 14.092242664321525 numberOfScans: 16 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 16 relaxationTime: 2 acquisitionTime: 0.0002099999999999996 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 13 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:30:59.000Z isFt: false name: nmrxiv-pt-succrose/14 phc0: -12.10539 phc1: -223.117 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 0.000013999999999999973 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 300.0005 spectrumSize: 32768 baseFrequency: 150.905323028 digitalFilter: 68 fieldStrength: 14.092242664321525 numberOfScans: 32 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 13 relaxationTime: 2 acquisitionTime: 0.00016799999999999967 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 14 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:30:59.000Z isFt: true name: nmrxiv-pt-succrose/14 phc0: -12.10539 phc1: -223.117 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 19.72026451536025 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 300.0005 spectrumSize: 32768 baseFrequency: 150.905323028 fieldStrength: 14.092242664321525 numberOfScans: 32 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 13 relaxationTime: 2 acquisitionTime: 0.00016799999999999967 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 14 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:34:30.000Z isFt: false name: nmrxiv-pt-succrose/15 phc0: -20.24657 phc1: -223.117 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 0.000013999999999999973 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 300.0016 spectrumSize: 32768 baseFrequency: 150.905323028 digitalFilter: 68 fieldStrength: 14.092242664321525 numberOfScans: 64 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0001539999999999997 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 15 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:34:30.000Z isFt: true name: nmrxiv-pt-succrose/15 phc0: -20.24657 phc1: -223.117 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 21.513015834938454 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 300.0016 spectrumSize: 32768 baseFrequency: 150.905323028 fieldStrength: 14.092242664321525 numberOfScans: 64 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0001539999999999997 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 15 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:41:11.000Z isFt: false name: nmrxiv-pt-succrose/16 phc0: -167.812 phc1: 144.4757 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 0.000013999999999999973 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9982 spectrumSize: 32768 baseFrequency: 150.905323028 digitalFilter: 68 fieldStrength: 14.092242664321525 numberOfScans: 128 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 13 relaxationTime: 2 acquisitionTime: 0.00016799999999999967 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 16 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:41:11.000Z isFt: true name: nmrxiv-pt-succrose/16 phc0: -167.812 phc1: 144.4757 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 19.72026451536025 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9982 spectrumSize: 32768 baseFrequency: 150.905323028 fieldStrength: 14.092242664321525 numberOfScans: 128 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 13 relaxationTime: 2 acquisitionTime: 0.00016799999999999967 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 16 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:54:14.000Z isFt: false name: nmrxiv-pt-succrose/17 phc0: 39.26223 phc1: -223.4554 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 0.000013999999999999973 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 300.0004 spectrumSize: 32768 baseFrequency: 150.905323028 digitalFilter: 68 fieldStrength: 14.092242664321525 numberOfScans: 256 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.00012599999999999976 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 17 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T22:54:14.000Z isFt: true name: nmrxiv-pt-succrose/17 phc0: 39.26223 phc1: -223.4554 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 26.293686020480333 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 300.0004 spectrumSize: 32768 baseFrequency: 150.905323028 fieldStrength: 14.092242664321525 numberOfScans: 256 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.00012599999999999976 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 17 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T23:19:59.000Z isFt: false name: nmrxiv-pt-succrose/18 phc0: 16.92438 phc1: -178.5162 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 0.000013999999999999973 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9991 spectrumSize: 32768 baseFrequency: 150.905323028 digitalFilter: 68 fieldStrength: 14.092242664321525 numberOfScans: 512 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.00012599999999999976 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 18 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-01T23:19:59.000Z isFt: true name: nmrxiv-pt-succrose/18 phc0: 16.92438 phc1: -178.5162 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 26.293686020480333 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9991 spectrumSize: 32768 baseFrequency: 150.905323028 fieldStrength: 14.092242664321525 numberOfScans: 512 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 10 relaxationTime: 2 acquisitionTime: 0.00012599999999999976 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 18 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-02T00:11:09.000Z isFt: false name: nmrxiv-pt-succrose/19 phc0: 76.57124 phc1: -271.1686 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 0.000013999999999999973 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9997 spectrumSize: 32768 baseFrequency: 150.905323028 digitalFilter: 68 fieldStrength: 14.092242664321525 numberOfScans: 1024 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0001539999999999997 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 19 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-02T00:11:09.000Z isFt: true name: nmrxiv-pt-succrose/19 phc0: 76.57124 phc1: -271.1686 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 21.513015834938454 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9997 spectrumSize: 32768 baseFrequency: 150.905323028 fieldStrength: 14.092242664321525 numberOfScans: 1024 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 12 relaxationTime: 2 acquisitionTime: 0.0001539999999999997 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 19 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-02T01:53:07.000Z isFt: false name: nmrxiv-pt-succrose/20 phc0: 37.00124 phc1: -231.0324 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 0.000013999999999999973 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9997 spectrumSize: 32768 baseFrequency: 150.905323028 digitalFilter: 68 fieldStrength: 14.092242664321525 numberOfScans: 2048 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 9 relaxationTime: 2 acquisitionTime: 0.00011199999999999978 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 20 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-02T01:53:07.000Z isFt: true name: nmrxiv-pt-succrose/20 phc0: 37.00124 phc1: -231.0324 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 29.580396773040373 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9997 spectrumSize: 32768 baseFrequency: 150.905323028 fieldStrength: 14.092242664321525 numberOfScans: 2048 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 9 relaxationTime: 2 acquisitionTime: 0.00011199999999999978 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 20 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-02T05:16:43.000Z isFt: false name: nmrxiv-pt-succrose/21 phc0: 30.72792 phc1: -217.6592 type: NMR FID DECIM: 560 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 0.000013999999999999973 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9996 spectrumSize: 32768 baseFrequency: 150.905323028 digitalFilter: 68 fieldStrength: 14.092242664321525 numberOfScans: 4096 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 24 relaxationTime: 2 acquisitionTime: 0.00032199999999999937 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 21 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2024-01-02T05:16:43.000Z isFt: true name: nmrxiv-pt-succrose/21 phc0: 30.72792 phc1: -217.6592 type: NMR Spectrum DECIM: 560 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.3.0 DSPFVS: 20 nucleus: 13C reverse: false solvent: H2O+D2O dimension: 1 increment: 10.288833660187956 isComplex: true probeName: Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT) experiment: c13 groupDelay: 68 temperature: 299.9996 spectrumSize: 32768 baseFrequency: 150.905323028 fieldStrength: 14.092242664321525 numberOfScans: 4096 pulseSequence: zgpg30 spectralWidth: 236.643174184323 numberOfPoints: 24 relaxationTime: 2 acquisitionTime: 0.00032199999999999937 frequencyOffset: 15090.533000005735 originFrequency: 150.920413561 pulseStrength90: 25000 experimentNumber: 21 acquisitionScheme: undefined linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1""" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p52.s275.d1615" ;
    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.p52.s275.d1615#sample> ;
    dct:title "nmrxiv-pt-succrose[18]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p52.s275.d1615#measurement> .

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    schema1:name "13C nuclear magnetic resonance spectroscopy" .

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        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p52.s275.d1615#sample> .

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    sio:000008 [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C12H22O11" ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O" ],
        [ 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 "342.3"^^xsd:float ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "CZMRCDWAGMRECN-UGDNZRGBSA-N" ],
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            prov:value "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1" ] .

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    dct:title "evaluated sample" .