Collision Cross Section Database

We recently updated our Collision Cross Section Database. These changes are described in a recent post. Please let us know what you think.

Collision cross sections for ions of many small molecules, peptides, denatured proteins, native-like proteins, and native-like protein complexes are reported below.  If you use these values in your research, please cite the appropriate publication(s) for the value(s). The original reference for each value is included in the rightmost column of each table. In addition to the contextualized tables below, this data is also available in the following forms:

This database focuses on electrospray generated ions, in particular those that preserve native-like structures, or may be useful for biomedical or pharmaceutical research. A particular strength of this database is that the collision cross sections of most ions were measure in both helium and nitrogen gases, using very similar methods. Complementary resources are available from from the Clemmer and McLean labs.

Native-Like Ions

Most native-like ions were generated by nanospray from aqueous 200 mM ammonium acetate. See Table S1 of Bush 2010 or Allen 2016 for additional details. Note that the oligomeric states of insulin depend strongly on solution conditions. See Salbo 2012 for additional details regarding the generation of those ions. Although the human insulin used in Salbo 2012 was provided by Novo Nordisk, human insulin sourced elsewhere, (e.g., Sigma I2643) should yield similar ions.

Notes regarding native-like bovine serum albumin results from Bush 2010. The mass has been changed to 66kDa.

Denatured Proteins

Peptides, Polyalanine, and Homopolymers

Note: We recommend using polyalanine (results above) to calibrate peptide ion mobility data for most applications,

Other Molecular Ions

The following values for 1425 drug or drug-like molecules in the MicroSource Discovery Systems’ Spectrum Collection were determined via calibration of drift times measured using traveling-wave ion mobility spectrometry in the laboratory of Libin Xu.