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Publication of qNMR Internal Standard Reference Data

The BIPM has published two additional reference data reports on the use of quantitative Nuclear Magnetic Resonance (qNMR) for the purity assignment of organic compounds. The reports will aid the development of primary reference materials for SI traceable calibration hierarchies in organic analysis as well as reference standards and assays for pharmaceutical laboratories. The documents were developed as a key output from a BIPM-NMIJ (Japan) collaboration undertaken at the BIPM together with visiting scientists from NIM (China), INMETRO (Brazil) and UME (Turkey).

The online publication of these two reports in the series of Internal Standard Reference Data (ISRD) documents are for the use of dimethyl sulfone and potassium hydrogen phthalate respectively as qNMR internal standards. The ISRDs provide specific guidance on the use and limitations of each material and general recommendations for experimental design, treatment of data and assignment of measurement uncertainty from a quantitative 1H NMR measurement.

With their publication, three of a set of seven documents are now freely available online. The ensemble of seven documents covers a set of "universal calibrators" for qNMR, identified by the NMIJ and the BIPM as being able to serve as a set of internal standards that will enable SI-traceable purity assignment measurements by qNMR for the vast majority of organic analyte/solvent combinations.

The full set of seven standards that will make up the qNMR universal calibrator set are: maleic acid (MA) [ISRD-01]; dimethyl sulfone (DMSO2) [ISRD-02]; potassium hydrogen phthalate (KHP) [ISRD-03]; 3,5-bis-trifluoromethyl benzoic acid (BTFMBA) [ISRD-04]; dimethyl terephthalate (DMTP) [ISRD-05]; 1,4-bis-trimethylsilylbenzene (BTMSB) [ISRD-06]; 3-trimethylsilyl propanesulfonic acid sodium salt-d6 (DSS-d6) [ISRD-07].

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