Introduction Implementing a process for secure integration between LIMS, electronic lab notebooks (ELNs), and LC-MS/MS instruments in bioanalytical labs has historically been a challenge in the absence of an agreed standard. For those situations where no bespoke (and costly) interface is established, a manual and time-consuming quality control step is required to mitigate the risks to Data Integrity. In this presentation, a new framework for standardization has been proposed for data transfer between LIMS and LC-MS/MS instruments. The proposed solution focuses on a single universal open-standard file format, that has been digitally signed to make data transfer secure and easier to audit. Methods The proposed file format is open to all instrument providers, electronic lab notebook and LIMS platforms. It is based on a vendor neutral XML file format based on AnIML (Analytical Information Markup Language). Worklist and LC-MS/MS result information is transferred as a vendor neutral XML file format and digitally signed using Public / Private key logic, provided by the World Wide Web Consortium (W3C) Signature Working Group. The design will have a zero impact on existing user experiences in opening worklists (sample batches) and transferring LC-MS/MS results. Preliminary Data In regulated bioanalytical laboratories, data integrity (DI) is a critical factor in making sure the (meta-) data is reliable, accurate and meets the needs of the ALCOA principles (the data and information must be attributable, legible, contemporaneous, original, and accurate, in addition to being complete). The current data model in transferring information between LIMS/ELN systems and LC-MS/MS instruments exposes DI risks as the files are often transferred in a vendor-specific text-based format. To move a solution forward, a framework for standardization has been proposed by several LIMS/ELN providers and LC-MS/MS instrument manufacturers. The framework is designed to be open to all vendors and to make the file/data transfer more secure using a digital signature technology. There are a number of advantages in using a digitally signed XML file (incorporating a public/private key logic); it is attributable (identifies who made the signature), tamper-evident (detects if the file has been changed or tampered with using the private-public key logic), validated and stored as XML (a format that is easily adopted by providers of LIMS/ELN and LC-MS/MS).

Solution towards a vendor-neutral secure data transfer process between LIMS/ELN and LC-MS/MS instruments for bioanalysis

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ACS Fall 2022

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