Compound Discoverer Software

REQUEST FOR QUOTE Compound Discoverer Software FDA-75F40126Q00286 DATE POSTED: July 14, 2026 CLOSE DATE: July 29, 2026, by 1:00PM EST CLASSIFICATION CODE: 7B22 – IT and Telecom – Compute: Servers (Hardware and Perpetual License Software NAICS CODE: 541519 - Other Computer Related Services SECTION 1 – PRODUCT LIST AND DELIVERY INFORMATION This is a combined synopsis/solicitation for commercial items prepared in accordance with the Federal Acquisition Regulation (FAR) format, as supplemented with additional information included in this notice. This announcement constitutes the only solicitation; Offers are being requested and a separate written solicitation will not be issued. It is the Government's intent to issue a Firm Fixed Priced Purchase Order in accordance with FAR Part 12. The solicitation number is FDA-75F40126Q00286. This solicitation is issued as a Request for Quote (RFQ). This is a Full and Open Competition requirement. The Government is in no way obligated to make an award, nor to pay any costs incurred by the Contractor in preparing and submitting its quote. 1.1 Background Mass spectrometry (MS) is the gold standard for chemical characterization. As such, DBCMS has many MS instruments from various manufacturers. Each manufacturer produces proprietary software to analyze the MS data originating from their instruments. Compound Discoverer is Thermo Fisher’s proprietary software for MS data. Each software purchase includes one license which means it can be used on only one computer. With multiple DBCMS projects using Thermo Fisher instruments, there is a high demand to process data from multiple projects simultaneously. Therefore, an additional license for Compound Discoverer is needed. Compound Discoverer converts the raw data from Thermo Fisher MS instruments (“.raw”) into qualitative and quantitative information- peaks and intensities, respectively. Thousands of peaks and intensities are common for each sample, so statistical capabilities are inherent requirements for this software. The combined features of data processing and statistical analysis allow our users to produce publication-quality graphs and figures for use by industry and regulators. -- 1 of 19 -- 1.2 Objective Compound Discoverer is a mass spectrometry data processing and statistical software for data produced from Thermo Fisher analytical instruments. Our division (DBCMS) uses several Thermo Fisher instruments which equate to many group members needing access to this software to process their data to meet various project goals and objectives. 1.3 Product List Base Year CLIN Product Number Description Qty Price Extended Price 001 CSW0067152 Compound Discoverer Software 1 Total Option Year 1 CLIN Product Number Description Qty Price Extended Price 002 CSW0067152 Compound Discoverer Software 1 Total Option Year 2 CLIN Product Number Description Qty Price Extended Price 003 CSW0067152 Compound Discoverer Software 1 Total 1.4 Technical Requirements The contractor must: • Identify compounds through multiple automatic databases and spectral library search tools. • Access mzCloud libraries and utilize both DIA and DDA scans for searching. • Determine elemental composition using high-resolution fine isotopes and MS/MS data. -- 2 of 19 -- • Workflows are modular and assembled from a suite of advanced algorithms (nodes). • Workflow templates are customizable for different applications and included with the software. • Workflows can be enhanced with custom nodes. • Analyze biological pathways with high-quality data processing and statistical analysis—support for stable isotope labeling workflows to analyze differences in samples • Find real differences between sample sets with heat-map-like tables, interactive PCA, partial least squares discriminant analysis (PLS-DA), etc. • Visualize spectral trees along with fragmentation annotations and mzLogic algorithm for ranking chemical database hits using spectral library similarities for structural elucidation. Required features, capabilities, or performance parameters • Must be able to search spectral databases to identify compounds. • Must be able to acquire data both dependently and independently. • Must be able to determine molecular formula using high-resolution, fragmentation, and isotopic patterns. • Must have a customizable workflow using nodes. • Must be able to perform a differential analysis using various statistical tools. • Must be able to rank the possible matches from databases according to fragmentation and structural similarity. Applicable industry standards or certifications • Includes quality control features in compliance with good laboratory practices (GLPs) and good clinical practices (GCPs). 1.5 Period of Performance The anticipated Period of Performance shall be for one (1) twelve-month base year. Period of Performance Date Base Year 09/30/2026-09/29/2027 Option Year 1 09/30/2027-09/29/2028 Option Year 2 09/30/2028-09/29/2029 1.6 Delivery Requirements The above items shall be delivered according to the above Period of Performance. All items shall be delivered to the FDA COR. The Contractor shall notify the COR via email when the above items are available. U.S Food and Drug Administration White Oak Campus Building 64 Room 3041 10903 New Hampshire Avenue Silver Spring, Maryland 20993 1.7 Contract Type This is a Firm Fixed Price (FFP) purchase order. -- 3 of 19 -- SECTION 2 – CONTRACT ADMINISTRATION 2.1 Contract Management Contracting Officer (CO): (To be entered at time of award) Contract Specialist (CS): Tiffany Gates Tiffany.Gates@fda.hhs.gov Contracting Officers Representative (COR): (To be entered at time of award) 2.2 Contracting Officer’s Authority The Contracting Officer (CO) is the only person with authority to act as agent of the Government under this contract. Only the Contracting Officer has authority to: (1) direct or negotiate any changes in the RFQ; (2) modify or extend the period of perfor…