Polysorbate

Description

This is a polysorbate 80 sample demoing the PolyMatch software. This software contains PEGS, methyl-PEGS, fatty acid linked PEGS, polyisosorbide with and without fatty acids, and polysorbate with and without fatty acids (up to four fatty acids). A project in collaboration with David Weil from Agilent Technologies. 

We are currently looking for collaborators to better understand MS/MS fragmentation patterns, and with interesting applications!

These compounds are used in cosmetics, vaccines, Corexit used in major oil spills, fracking, and many other applications. While generally considered safe and with wide use, research is beginning to find a potential link between these compounds and Crohn's disease.

The raw data is available at MassIVE (MSV000092669) using the following ftp link ftp://massive.ucsd.edu/MSV000092669/ which also includes Polysorbate 20 data for comparison.

PolyMatch assigned series identifiers include: 1927 – PEG-R1-FA(18:1), 2135 – Peg-R2-FA(16:0_18:1), 1559 – PEG, 1670 – Methyl-PEG, 1975 – Methyl-PEG 18:1, 1439 Polysorbate PEG, 1797 Polysorbate R1 18:1, 1822 Polysorbate R1 16:0, 1380 Polysorbide PEG, 1526 – Unknown, 1888 – Unknown 18:1 (Polysorbide 16:0?), 1862 Polysorbate R2 6:0 16:0?, 2112 Polysorbate R2 14 18?, 2093 Polysorbate R3? Nice trend, 2092 Unknown, 2154 Polysorbate R3? Nice trend, 2095 Polysorbate R2 16:0 16:0?, 2096 unknown, 1508 (Unknown, Polysorbate 6:0?, and 1577 unknown Polysorbate 8:0?

Same Tween 80 Dataset Processed with the Latest Software (PolyMatch 4.3)