🧬Metabolomics-II🧬

Ranking and filtering metabolic features to metabolite identification MS/MS experiments

📝Briefing

This project is based upon the original work by Samino et al 2017 manuscript (https://www.nature.com/articles/s41598-017-17897-8). Only a restricted set of the total number of measurements described in this manuscript is going to be used. Thus, the project dataset consists of LC/MS(ESI(+)/QTOF) measurements performed on the hydrophilic cell extracts derived from five different Breast Cancer (BC) cell lines divided in non-BRCA1-like (MCF-7 and MDA-MB-231) and BRAC1-like (HCC70, MDA-MB-436, MDA-MB-468) phenotypes.

💾Data

The corresponding open “mzXML” formats from these measurements can be accessed from the mzXML folder.

• Breast Cancer (BC) cell lines: mzXML folder.
• HMDB and adducts tables: ID folder.

📑References

• Roig, B., Rodríguez-Balada, M., Samino, S. et al. Metabolomics reveals novel blood plasma biomarkers associated to the BRCA1-mutated phenotype of human breast cancer. Sci Rep 7, 17831 (2017). https://doi.org/10.1038/s41598-017-17897-8.