@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 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 obi: <http://purl.obolibrary.org/obo/OBI_> .
@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.p68.s515.d2658> 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 -PEG 5k date: 2021-08-21T11:49:29.000Z isFt: true name: PEG 5k/10 phc0: -244.14 phc1: 0 type: NMR Spectrum DECIM: 1664 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 21 nucleus: 1H reverse: false solvent: D2O dimension: 1 increment: 3.75457845376695 isComplex: true probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: 1d groupDelay: 76 temperature: 298.0646 spectrumSize: 131072 baseFrequency: 400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 30.0366276301356 numberOfPoints: 9 relaxationTime: 0.1 acquisitionTime: 0.00033280000000005693 frequencyOffset: 2471.084000035262 originFrequency: 400.152471084 pulseStrength90: 25000 experimentNumber: 10 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-08-20T20:06:49.000Z isFt: true name: PEG 5k/100 phc0: -244.6 phc1: 0 type: NMR Spectrum DECIM: 1664 aqMod: 3 isFid: false tdOff: 0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 21 nucleus: 1H reverse: false solvent: D2O dimension: 1 increment: 3.75457845376695 isComplex: true probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: 1d groupDelay: 76 temperature: 297.998 spectrumSize: 131072 baseFrequency: 400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: zg30 spectralWidth: 30.0366276301356 numberOfPoints: 9 relaxationTime: 0.1 acquisitionTime: 0.00033280000000005693 frequencyOffset: 2471.084000035262 originFrequency: 400.152471084 pulseStrength90: 25000 experimentNumber: 100 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1 date: 2021-08-20T20:27:35.000Z isFt: true name: PEG 5k/101 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 3.4252334934258 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 283.0039 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 7 relaxationTime: 5 acquisitionTime: 0.00036479999999999916 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 101 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-20T21:58:09.000Z isFt: true name: PEG 5k/102 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 3.4252334934258 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 288.0005 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 7 relaxationTime: 5 acquisitionTime: 0.00036479999999999916 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 102 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-20T23:33:45.000Z isFt: true name: PEG 5k/103 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 3.4252334934258 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 293.0011 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 7 relaxationTime: 5 acquisitionTime: 0.00036479999999999916 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 103 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-21T01:03:05.000Z isFt: true name: PEG 5k/104 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 5.1378502401387 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 297.9998 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 5 relaxationTime: 5 acquisitionTime: 0.00024319999999999943 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 104 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-21T02:32:58.000Z isFt: true name: PEG 5k/105 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 5.1378502401387 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 303.0017 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 5 relaxationTime: 5 acquisitionTime: 0.00024319999999999943 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 105 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-21T04:04:34.000Z isFt: true name: PEG 5k/106 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 5.1378502401387 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 308.0003 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 5 relaxationTime: 5 acquisitionTime: 0.00024319999999999943 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 106 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-21T05:37:08.000Z isFt: true name: PEG 5k/107 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 5.1378502401387 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 310.001 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 5 relaxationTime: 5 acquisitionTime: 0.00024319999999999943 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 107 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-21T07:09:51.000Z isFt: true name: PEG 5k/108 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 3.4252334934258 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 313.0043 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 7 relaxationTime: 5 acquisitionTime: 0.00036479999999999916 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 108 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-21T08:45:16.000Z isFt: true name: PEG 5k/109 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 4.1.1 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 3.4252334934258 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 318.0001 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 7 relaxationTime: 5 acquisitionTime: 0.00036479999999999916 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 109 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-21T12:00:22.000Z isFt: true name: PEG 5k/11 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 5.1378502401387 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 297.9989 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 5 relaxationTime: 5 acquisitionTime: 0.00024319999999999943 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 11 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0 date: 2021-08-21T10:21:45.000Z isFt: true name: PEG 5k/110 phc0: 17.38403,0 phc1: 0,0 type: NMR Spectrum DECIM: 2432 aqMod: 3 isFid: false tdOff: 0,0 title: Parameter file, TopSpin 3.5 pl 7 DSPFVS: 21 nucleus: 1H,1H reverse: false,false solvent: D2O dimension: 2 increment: 5.1378502401387 isComplex: false probeName: Z116098_0618 (PA BBO 400S1 BBF-H-D-05 Z SP) experiment: null groupDelay: 76 temperature: 323.0019 spectrumSize: 32768,1024 baseFrequency: 400.15,400.15 fieldStrength: 9.398161044985478 numberOfScans: 16 pulseSequence: ledbpgp2s spectralWidth: 20.5514009605548,20.6192273663652 numberOfPoints: 5 relaxationTime: 5 acquisitionTime: 0.00024319999999999943 frequencyOffset: 2000.650000013593,2000.650000013593 originFrequency: 400.15200065,400.15200065 pulseStrength90: 25000 experimentNumber: 110 acquisitionScheme: notPhaseSensitive linearPredictionBin: 0,0 lpNumberOfCoefficients: 0,0 windowMultiplicationMode: 1,0" ;
    dct:identifier "https://doi.org/10.57992/nmrxiv.p68.s515.d2658" ;
    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.p68.s515.d2658#sample> ;
    dct:title "PEG 5k[107]" ;
    prov:wasGeneratedBy <https://doi.org/10.57992/nmrxiv.p68.s515.d2658#measurement> .

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

obi:0000070 a schema1:DefinedTerm ;
    schema1:name "assay" .

<https://doi.org/10.57992/nmrxiv.p68.s515.d2658#measurement> a obi:0000070,
        prov:Activity ;
    prov:used <https://doi.org/10.57992/nmrxiv.p68.s515.d2658#sample> .

<https://pubchem.ncbi.nlm.nih.gov/compound/6354> a chebi:23367 ;
    sio:000008 [ 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 "44.05"^^xsd:float ],
        [ a cheminf:000018 ;
            dct:title "assigned SMILES" ;
            prov:value "C1CO1" ],
        [ a cheminf:000042 ;
            dct:title "assigned IUPAC chemical formula" ;
            prov:value "C2H4O" ],
        [ a cheminf:000059 ;
            dct:title "assigned InChIKey" ;
            prov:value "IAYPIBMASNFSPL-UHFFFAOYSA-N" ],
        [ a cheminf:000113 ;
            dct:title "assigned InChI" ;
            prov:value "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" ] .

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    foaf:name "nmrXiv" .

<https://doi.org/10.57992/nmrxiv.p68.s515.d2658#sample> a sio:001378 ;
    bfo:0000051 <https://pubchem.ncbi.nlm.nih.gov/compound/6354> ;
    dct:title "evaluated sample" .