Characterization of phosphate-containing metabolites by calcium adduction and electron capture dissociation.

Journal of the American Society for Mass Spectrometry
Haichuan LiuKristina Håkansson

Abstract

Several phosphate-containing metabolites, including nicotinamide adenine dinucleotide (NAD), nicotinamide adenine dinucleotide phosphate (NADP), adenosine 5'-diphosphate ribose (ADP-r), adenosine 5'-triphosphate (ATP), and guanosine 5'-triphosphate (GTP), have been characterized with electron capture dissociation (ECD) and sustained off-resonance irradiation collision-activated dissociation (SORI-CAD) tandem mass spectrometry (MS/MS) in positive-ion mode. Calcium complexation was used to successfully produce abundant doubly charged cationic precursor ions with or without hydration. This approach enabled application of ECD to acidic metabolites for the first time. Fragmentation pathways observed in ECD and SORI-CAD of calcium-adducted phosphate-containing metabolites were complementary. Unique fragmentation was observed in ECD compared to SORI-CAD MS/MS, including ribose cross-ring cleavage for NAD and NADP, and generation of hydrated product ions, including cross-ring fragments, for hydrated ATP and GTP. A combination of ECD and CAD appears promising for maximizing structural information about metabolites.

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Citations

Apr 8, 2011·Journal of the American Society for Mass Spectrometry·Xiangfeng ChenTak Wah Dominic Chan
Nov 28, 2012·Journal of the American Society for Mass Spectrometry·Sara OngayRainer Bischoff
Mar 26, 2014·Journal of the American Society for Mass Spectrometry·Pengcheng WangYinsheng Wang
Aug 2, 2016·Rapid Communications in Mass Spectrometry : RCM·Andrew T BallJackie A Mosely
Sep 18, 2018·Journal of Mass Spectrometry : JMS·Juliette J Commodore, Carolyn J Cassady
Aug 29, 2009·Rapid Communications in Mass Spectrometry : RCM·Linda FeketeováRichard A J O'Hair

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