Dataset

nmrxiv-pt-succrose[1]

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

Chemical Information

molecular Image
InChI 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
SMILES 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
InChI Key CZMRCDWAGMRECN-UGDNZRGBSA-N
Molecular Formula C12H22O11
Exact Mass 342.300 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p52.s275.d1612
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D1612
Version
Author
Maintainer
Language english
MetadataPublished 2024-01-02T18:35:49.000000Z
Related Molecule
  • (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : H2O+D2O

    acquisition nucleus : ['1H']

    NMR spectrum by dimensionality : 1

    NMR probe : Z168773_0043 (CPP1.1 BBO 600S3 BB-H&F-D-05 Z XT)

    Temperature : 300.0006 K

    magnetic field strength : 14.095245206891379 Tesla

    number of scans : 16 scans

    nuclear magnetic resonance pulse sequence : zg30

    Spectral Width : 20.8283754628522

    number of data points : 8 points

    relaxation time measurement : 1 seconds

    Data-Source Molecule ID Data-Source
    DB02772 drugbank
    CHEBI:17992 chebi
    CHEBI:65313 chebi
    SUC rcsb_pdb
    CHEMBL253582 chembl
    1005 surechembl
    5988 pubchem
    C151H8M554 fdasrs
    PRD_900003 pdbe
    PD046201 probes_and_drugs
    MELKIA CCDC
    124788 brenda
    152650 brenda
    15973 brenda
    20931 brenda
    211271 brenda
    212424 brenda
    266353 brenda
    31914 brenda
    47829 brenda
    55 brenda
    75951 brenda
    HMDB0000258 hmdb
    DTXSID2021288 comptox
    NCT00163540 clinicaltrials
    NCT00218946 clinicaltrials
    NCT00223964 clinicaltrials
    NCT00224042 clinicaltrials
    NCT00224055 clinicaltrials
    NCT00460486 clinicaltrials
    NCT00482560 clinicaltrials
    NCT00519207 clinicaltrials
    NCT00661999 clinicaltrials
    NCT00694174 clinicaltrials
    NCT00758511 clinicaltrials
    NCT00787059 clinicaltrials
    NCT00805623 clinicaltrials
    NCT00908401 clinicaltrials
    NCT00921544 clinicaltrials
    NCT00949104 clinicaltrials
    NCT00973284 clinicaltrials
    NCT01190995 clinicaltrials
    NCT01201954 clinicaltrials
    NCT01238471 clinicaltrials
    NCT01293812 clinicaltrials
    NCT01438008 clinicaltrials
    NCT01462331 clinicaltrials
    NCT01503060 clinicaltrials
    NCT01544946 clinicaltrials
    NCT01544985 clinicaltrials
    NCT01561547 clinicaltrials
    NCT01635608 clinicaltrials
    NCT01983592 clinicaltrials
    NCT02086864 clinicaltrials
    NCT02151136 clinicaltrials
    NCT02174705 clinicaltrials
    NCT02208726 clinicaltrials
    NCT02247102 clinicaltrials
    NCT02419209 clinicaltrials
    NCT02714413 clinicaltrials
    NCT02990364 clinicaltrials
    NCT03082001 clinicaltrials
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    NCT03117192 clinicaltrials
    NCT03272594 clinicaltrials
    NCT03694886 clinicaltrials
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    Molport-003-926-939 molport
    4610 drugcentral
    50108105 bindingdb
    The data in this table is sourced from UniChem at EBI.