Integration of High-Resolution Mass Spectrometry with Cryogenic Ion Vibrational Spectroscopy.
Fabian S MengesEvan H PerezSean C EdingtonChinh H DuongNan YangMark A JohnsonPublished in: Journal of the American Society for Mass Spectrometry (2019)
We describe an instrumental configuration for the structural characterization of fragment ions generated by collisional dissociation of peptide ions in the typical MS2 scheme widely used for peptide sequencing. Structures are determined by comparing the vibrational band patterns displayed by cryogenically cooled ions with calculated spectra for candidate structural isomers. These spectra were obtained in a linear action mode by photodissociation of weakly bound D2 molecules. This is accomplished by interfacing a Thermo Fisher Scientific Orbitrap Velos Pro to a cryogenic, triple focusing time-of-flight photofragmentation mass spectrometer (the Yale TOF spectrometer). The interface involves replacement of the Orbitrap's higher-energy collisional dissociation cell with a voltage-gated aperture that maintains the commercial instrument's standard capabilities while enabling bidirectional transfer of ions between the high-resolution FT analyzer and external ion sources. The performance of this hybrid instrument is demonstrated by its application to the a1, y1 and z1 fragment ions generated by CID of a prototypical dipeptide precursor, protonated L-phenylalanyl-L-tyrosine (H+-Phe-Tyr-OH or FY-H+). The structure of the unusual z1 ion, nominally formed after NH3 is ejected from the protonated tyrosine (y1) product, is identified as the cyclopropane-based product is tentatively identified as a cyclopropane-based product.
Keyphrases
- high resolution
- mass spectrometry
- high resolution mass spectrometry
- liquid chromatography
- quantum dots
- density functional theory
- ultra high performance liquid chromatography
- tandem mass spectrometry
- aqueous solution
- water soluble
- gas chromatography
- single cell
- ms ms
- molecular dynamics simulations
- high speed
- multiple sclerosis
- electron transfer
- molecular dynamics
- cell therapy
- room temperature
- bone marrow
- stem cells
- single molecule
- anti inflammatory
- neural network