Dataset

nmrxiv-pt-succrose[15]

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.d1608
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D1608
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 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    NMR solvent : H2O+D2O

    acquisition nucleus : ['13C']

    NMR spectrum by dimensionality : 1

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

    Temperature : 300.0016 K

    magnetic field strength : 14.092242664321525 Tesla

    number of scans : 64 scans

    nuclear magnetic resonance pulse sequence : zgpg30

    Spectral Width : 236.643174184323

    number of data points : 12 points

    relaxation time measurement : 2 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
    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
    Molport-003-926-939 molport
    4610 drugcentral
    50108105 bindingdb
    The data in this table is sourced from UniChem at EBI.