[Public Comment] Non-Targeted Standard Quality Control Mixture Survey-V2
May 12, 2023
We (Ann Knolhoff and Christine Fisher (O'Donnell)) are reaching out to companies/organizations to further develop and commercialize a non-targeted standard/quality control (NTS/QC) mixture for evaluating reversed-phase liquid chromatography high-resolution mass spectrometry (LC/HR-MS) non-targeted analysis (NTA) method performance. Characteristics of the current mix are listed below and additional details (including the identity of all compounds in the mix) can be found here: https://pubs.acs.org/doi/abs/10.1021/acs.analchem.0c04036. We are looking for feedback from other NTA practitioners to determine how many users would be interested in purchasing a standard such as this if available, and/or what modification(s) would be necessary for it to be useful for their applications/methods/workflows.
Characteristics of the current NTS/QC mixture:
1. Total number of compounds: 89
2. Molecular weight range: 126-1100 Da
3. Estimated logKow range: -8 to 8.5
4. Elemental diversity: contains compounds with C, H, N, and/or O; also contains many compounds with P, S, Cl, Br, F, D, and/or 13C
5. Ionization polarity (ESI): 3 compounds ionize in – mode only, 61 compounds ionize in + mode only, 25 compounds ionize in both +/- modes
Note: The scope of this current mix is specifically to address the measurement/estimation of reversed-phase LC/HR-MS NTA method performance. We recognize that there are needs for other types of standards (e.g., to assess GC methods, HILIC methods, CE methods, and general NTA capabilities encompassing all analytical techniques) as well, but this is outside the scope of the current investigation. Please keep this in mind as you answer the poll questions.