@prefix bfo: . @prefix chebi: . @prefix chemdcatap: . @prefix cheminf: . @prefix chmo: . @prefix dcat: . @prefix dct: . @prefix foaf: . @prefix prov: . @prefix schema1: . @prefix sio: . a dcat:Dataset, chemdcatap:SubstanceSampleCharacterizationDataset ; dct:conformsTo [ a dct:Standard ; dct:identifier ] ; dct:description "This dataset contains NMR spectra obtained for the sample -janolusimide-B MeOD date: 2011-09-04T22:52:55.000Z isFt: true name: janolusimide-B MeOD/1 phc0: -71.40855 phc1: -3.308098 type: NMR Spectrum DECIM: 2496 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TOPSPIN Version 2.1 DSPFVS: 20 nucleus: 1H reverse: false solvent: MeOD dimension: 1 increment: 0.6909815042404518 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z108618/0212 experiment: 1d groupDelay: 67.9842376708984 temperature: 300.1 spectrumSize: 16384 baseFrequency: 399.87 fieldStrength: 9.391584798346479 numberOfScans: 128 pulseSequence: zg30 spectralWidth: 20.0384636229731 numberOfPoints: 30 relaxationTime: 0.1 acquisitionTime: 0.001809600000000003 frequencyOffset: 1999.3500000055064 originFrequency: 399.87199935 pulseStrength90: 16778.523489932886 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2011-09-23T06:51:53.000Z isFt: true name: janolusimide-B MeOD/2 phc0: -103.3797,0 phc1: -28.4,0 type: NMR Spectrum DECIM: 2496 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.6 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: 5.009615905743275 isComplex: false probeName: 5 mm PABBO BB-1H/D Z-GRD Z108618/0212 experiment: hsqc groupDelay: 67.9842376708984 temperature: 300.1 spectrumSize: 1024,256 baseFrequency: 399.87,100.547391 fieldStrength: 9.391584798346479 numberOfScans: 32 pulseSequence: hsqcetgpsi spectralWidth: 20.0384636229731,237.905623711432 numberOfPoints: 5 relaxationTime: 1 acquisitionTime: 0.00024960000000000043 frequencyOffset: 1999.3500000055064,11160.76040099756 originFrequency: 399.87199935,100.558551760401 pulseStrength90: 16778.523489932886 experimentNumber: 2 acquisitionScheme: Echo-antiecho linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4 date: 2011-09-23T09:31:26.000Z isFt: true name: janolusimide-B MeOD/3 phc0: 0,0 phc1: 0,0 type: NMR Spectrum DECIM: 2496 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.6 DSPFVS: 20 nucleus: 1H,13C reverse: false,false solvent: MeOD dimension: 2 increment: 5.009615905743275 isComplex: false probeName: 5 mm PABBO BB-1H/D Z-GRD Z108618/0212 experiment: hmbc groupDelay: 67.9842376708984 temperature: 300.1 spectrumSize: 1024,256 baseFrequency: 399.87,100.547391 fieldStrength: 9.391584798346479 numberOfScans: 64 pulseSequence: hmbcgplpndqf spectralWidth: 20.0384636229731,237.905623711432 numberOfPoints: 5 relaxationTime: 1 acquisitionTime: 0.00024960000000000043 frequencyOffset: 1999.3500000055064,11160.76040099756 originFrequency: 399.87199935,100.558551760401 pulseStrength90: 16778.523489932886 experimentNumber: 3 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 3,3 date: 2011-09-23T15:19:33.000Z isFt: true name: janolusimide-B MeOD/4 phc0: -188.3589 phc1: 89.21555 type: NMR Spectrum DECIM: 832 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 4.0.6 DSPFVS: 20 nucleus: 13C reverse: false solvent: MeOD dimension: 1 increment: 39.841567116462834 isComplex: true probeName: 5 mm PABBO BB-1H/D Z-GRD Z108618/0212 experiment: 1d groupDelay: 67.9839324951172 temperature: 300.1 spectrumSize: 32768 baseFrequency: 100.547391 fieldStrength: 9.389584176387931 numberOfScans: 3200 pulseSequence: zgpg spectralWidth: 239.049402698777 numberOfPoints: 7 relaxationTime: 0.6305881 acquisitionTime: 0.0001248 frequencyOffset: 11159.93999999887 originFrequency: 100.55855094 pulseStrength90: 30570.651343188823 experimentNumber: 4 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2011-09-23T16:52:05.000Z isFt: true name: janolusimide-B MeOD/5 phc0: 174.0742,1.454687 phc1: 18.6,-182.8 type: NMR Spectrum DECIM: 2496 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.0.6 DSPFVS: 20 nucleus: 1H,1H reverse: false,false solvent: MeOD dimension: 2 increment: 4.00769272459462 isComplex: false probeName: 5 mm PABBO BB-1H/D Z-GRD Z108618/0212 experiment: roesy groupDelay: 67.9842376708984 temperature: 300 spectrumSize: 1024,256 baseFrequency: 399.87,399.87 fieldStrength: 9.391584798346479 numberOfScans: 32 pulseSequence: roesyphpp spectralWidth: 20.0384636229731,20.0384636229731 numberOfPoints: 6 relaxationTime: 1 acquisitionTime: 0.00031200000000000054 frequencyOffset: 1999.3500000055064,1999.3500000055064 originFrequency: 399.87199935,399.87199935 pulseStrength90: 16778.523489932886 experimentNumber: 5 acquisitionScheme: TPPI linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 4,4" ; dct:identifier "https://doi.org/10.57992/nmrxiv.p88.s740.d3669" ; dct:language ; dct:publisher ; dct:subject ; dct:title "janolusimide-B CD3OD[1]" ; prov:wasGeneratedBy . a dct:LinguisticSystem . chmo:0000593 a schema1:DefinedTerm ; schema1:name "1H nuclear magnetic resonance spectroscopy" . a chmo:0000593, prov:Activity ; prov:used . a chebi:23367 ; sio:000008 [ a cheminf:000018 ; dct:title "assigned SMILES" ; prov:value "CC(C)[C@H]1C(=O)C(C)(C)C(=O)N1C(=O)[C@H](C)[C@H](O)[C@H](C)NC(=O)[C@H](C)N(C)C" ], [ a cheminf:000113 ; dct:title "assigned InChI" ; prov:value "InChI=1S/C20H35N3O5/c1-10(2)14-16(25)20(6,7)19(28)23(14)18(27)11(3)15(24)12(4)21-17(26)13(5)22(8)9/h10-15,24H,1-9H3,(H,21,26)/t11-,12+,13+,14+,15+/m1/s1" ], [ a cheminf:000059 ; dct:title "assigned InChIKey" ; prov:value "ANARGESUVAEGNN-QTVXIADOSA-N" ] . a foaf:Organization ; foaf:name "nmrXiv" . a sio:001378 ; bfo:0000051 ; dct:title "evaluated sample" .