Multi-Spectra Chemical ID & Quantification

I have a time-sensitive batch of NMR, mass spectrometry and IR spectra that must be interpreted accurately. Each sample contains several unknowns; I need both a confident structural identification for every component and a reliable quantitative breakdown of their relative abundances. The raw data have already been exported in common formats, so you can work in MestReNova, TopSpin, MassLynx, OpenChrom, MATLAB, Python (e.g., nmrglue, pymzML) or any comparable toolset you prefer, provided the final results are fully traceable back to the original spectra. Turnaround is critical: an initial draft report within 48 hours, with a short feedback cycle, then finalised results no later than five days from acceptance. Please show specific experience handling combined NMR–MS–IR workflows and performing quantitative analysis—for example, prior projects, published work, or validation studies—so I can judge fit quickly. Deliverables • Summary report (PDF) describing methodology, peak assignments, confidence levels and quantitative calculations • Spreadsheet (Excel/CSV) listing identified compounds, chemical shifts / m/z / IR bands and concentration data for each sample • Annotated spectra (images or native project files) highlighting key peaks and integrations • Optional scripts or notebooks if automated processing was used Acceptance will be based on logical peak assignments, consistency across the three techniques and reproduction of your quantitative numbers from the supplied raw files. Confidentiality is essential; data are proprietary and may not be shared beyond this project.

Project ID: 40231096