Phase Solutions is an experimental service to provide phased FTICR spectra to the community.

If you send us your FTICR mass spectra, we'll endeavor to find the phase function, rephase them, and return the absorption-mode spectra to you in a format that you can display and analyze more completely.

Formats:

Formats accepted:

Bruker Solarix FTICR mass spectra (our standard - very likely to work)

Bruker Apex FTICR mass spectra (will probably work, we can read the spectra, but no promises)

IonSpec FTICR mass spectra (we'll try, we can read the spectra, but no promises)

Thermo LTQFT mass spectra (We need the full transient and calibration constants. If you didn't save that, there's no chance. If you did, we'll happily give it a go)

Formats returned:

Bruker format as the Bruker Data Analysis file format.

Matlab format as a Matlab readable phasing script - coded with the found phase function.

What kind of spectra do we need?

Any kind of spectrum which is dense in peaks should be able to be phased. This includes all petroleum spectra, top-down ECD spectra of proteins, polymer spectra, and complex mixtures. We don't need to know the components, but the peaks need to be plentiful and abundant.

If you have simpler spectra, it may be necessary to run a "calibration" spectrum, such as the ESI spectrum of a poly-ethylene glycol, to generate a phase function for a particular pulse-sequence. Afterwards, other spectra with that same set of calibration constants and excite/detect parameters should work within a reasonable range of abundances and such.

This phasing service is based on the following publications:

Y. Qi, M. Barrow, S. L. VanOrden, C. J. Thompson, H. Li, P. Perez-Hurtado, P. B. O'connor, Variation of the Fourier transform mass spectral phase function with experimental parameters. Anal. Chem. 2011. web 5 Oct, 2011.
Y. Qi, C. J. Thompson, S. L. Van Orden, P. B. O'Connor, Phase Correction of Fourier Transform Ion Cyclotron Resonance Mass Spectra Using MatLab. J. Am. Soc. Mass Spectrom. 2011, 22. 138-147 Link.http://dx.doi.org/10.1007/s13361-010-0006-7