Dataset

SI_Outreach_5_3A_lime_meat_05312024.1d

This dataset contains NMR spectra obtained for the sample -SI_Outreach_5_3A_lime_meat_05312024 date: 2024-05-31T23:52:27.000Z isFt: false name: SI_Outreach_5_3A_lime_meat_05312024/1 phc0: 0 phc1: 0 type: NMR FID DECIM: 2000 aqMod: 3 isFid: true tdOff: 0 title: Parameter file, TopSpin 3.7.0 DSPFVS: 20 nucleus: 1H reverse: false solvent: CDCl3 dimension: 1 increment: null isComplex: true probeName: Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z) experiment: 1d groupDelay: 67.9862518310547 temperature: 298.1478 spectrumSize: 65536 baseFrequency: 500.13 digitalFilter: 67.9862518310547 fieldStrength: 11.746350827011339 numberOfScans: 8 pulseSequence: zg30 spectralWidth: 19.9946778845251 numberOfPoints: 1 relaxationTime: 1 acquisitionTime: 0 frequencyOffset: 3088.3019999805583 originFrequency: 500.133088302 pulseStrength90: 19607.843137254902 experimentNumber: 1 linearPredictionBin: 0 lpNumberOfCoefficients: 0 windowMultiplicationMode: 1

Chemical Info

molecular Image
InChI InChI=1S/C2H6/c1-2/h1-2H3
SMILES CC
InChI Key OTMSDBZUPAUEDD-UHFFFAOYSA-N

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p78.s652.d3349
License URL https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode
Source https://nmrxiv.org/D3349
Version
Author
Maintainer
Language english
MetadataCreated 2025-02-03T16:26:24.308639
MetadataModified 2025-02-03T16:26:24.308645
MetadataPublished 2024-08-02 19:43:39
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : 1H

NMR spectrum by dimensionality : 1

NMR probe : Z125869_0046 (CPP BBO 500S1 BB-H&F-D-05 Z)

Temperature : 298.1478 K

magnetic field strength : 11.746350827011339 Tesla

number of scans : 8 scans

nuclear magnetic resonance pulse sequence : zg30

Spectral Width : 19.9946778845251

number of data points : 1 points

relaxation time measurement : 1 seconds

Data-Source Molecule ID Data-Source
J1.938K Nikkaji
ETHANE clinicaltrials
DTXSID6026377 EPA CompTox Dashboard
J928.742F Nikkaji
96257 Brenda
HMDB0038209 Human Metabolome Database
ETHANE CCDC
J2.822.978J Nikkaji
CB4223139 ChemicalBook
CHEMBL135626 ChEMBL
MTBLC42266 Metabolights
5966 Brenda
SCHEMBL45 SureChEMBL
20028913 NMRShiftDB
42266 ChEBI
MCULE-8677953674 Mcule
6324 PubChem
PD099442 ProbesDrugs
L99N5N533T FDA SRS
15170300 PubChem: Thomson Pharma
68606-25-7 ACToR
74-84-0 ACToR
68475-57-0 ACToR
474442 eMolecules
The data in this table is sourced from UniChem at EBI.