NDLI: Evidence of Molecular Fragmentation inside the Charged Droplets Produced by Electrospray Process

Content Provider	Springer Nature Link
Author	Banerjee, Shibdas Prakash, Halan Mazumdar, Shyamalava
Copyright Year	2011
Abstract	The behavior of the analyte molecules inside the neutral core of the charged droplet produced by the electrospray (ES) process is not unambiguously known to date. We have identified interesting molecular transformations of two suitably chosen analytes inside the ES droplets. The highly stable Ni(II) complex of 1,8-dimethyl-1,3,6,8,10,13-hexaazacyclotetradecane (1) that consists of a positive charge at the metal center, and the allyl pendant armed tertiary amine containing macrocycle 3,4,5:12,13,14-dipyridine-2,6,11,15-tetramethyl-1,7,10,16-tetraallyl-1,4,7,10,13,16-hexaazacyclooctadeca-3,13-diene (M $_{ 4p }$) have been studied by ESI mass spectrometry as the model analytes. We have shown that these two molecules are not representatively transferred from solution to gas phase by ESI; rather, they undergo fragmentation inside the charged droplets. The results indicated that a charged analyte such as 1 was possibly unstable inside the neutral core of the ES droplet and undergoes fragmentation due to the Coulombic repulsion imparted by the surface protons. Brownian motion of the neutral analyte such as M $_{ 4p }$ inside the droplet, on the other hand, may lead to proton attachment on interaction with the charged surface causing destabilization that leads to fragmentation of M $_{ 4p }$ and release of resonance stabilized allyl cations from the core of the droplet. Detailed solvent dependence and collision-induced dissociation (CID) studies provided compelling evidences that the fragmentation of the analytes indeed occurs inside the charged ES droplets. A viable model of molecular transformations inside the ES droplet was proposed based on these results to rationalize the behavior of the analyte molecules inside the charged ES droplets.
Starting Page	1707
Ending Page	1717
Page Count	11
File Format	PDF
ISSN	10440305
Journal	Journal of The American Society for Mass Spectrometry
Volume Number	22
Issue Number	10
e-ISSN	18791123
Language	English
Publisher	Springer-Verlag
Publisher Date	2011-07-07
Publisher Institution	The American Society for Mass Spectrometry
Publisher Place	New York
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	ESI-MS Fragmentation Charged droplet Coulomb repulsion Nickel complex Pendant armed macrocycle Organic Chemistry Biotechnology Bioinformatics Proteomics Analytical Chemistry
Content Type	Text
Resource Type	Article
Subject	Spectroscopy Structural Biology

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

Evidence of Molecular Fragmentation inside the Charged Droplets Produced by Electrospray Process

Fragmentation of electrospray-produced oligodeoxynucleotide ions adducted to metal ions

A simple model for the disintegration of highly charged solvent droplets during electrospray ionization

Exploring fluorescence and fragmentation of ions produced by electrospray ionization in ultrahigh vacuum

Fragmentation pathways of N$^{G}$-methylated and unmodified arginine residues in peptides studied by ESI-MS/MS and MALDI-MS

Reactions of Microsolvated Organic Compounds at Ambient Surfaces: Droplet Velocity, Charge State, and Solvent Effects

ESI-MS differential fragmentation of positional isomers of sulfated oligosaccharides derived from carrageenans and agarans

Atmospheric Pressure Ionization Using a High Voltage Target Compared to Electrospray Ionization

Gas-Phase Stability of Negatively Charged Organophosphate Metabolites Produced by Electrospray Ionization and Matrix-Assisted Laser Desorption/Ionization

Evidence of Molecular Fragmentation inside the Charged Droplets Produced by Electrospray Process

Similar Documents

Evidence of Molecular Fragmentation inside the Charged Droplets Produced by Electrospray Process

Fragmentation of electrospray-produced oligodeoxynucleotide ions adducted to metal ions

A simple model for the disintegration of highly charged solvent droplets during electrospray ionization

Exploring fluorescence and fragmentation of ions produced by electrospray ionization in ultrahigh vacuum

Fragmentation pathways of N$^{G}$-methylated and unmodified arginine residues in peptides studied by ESI-MS/MS and MALDI-MS

Reactions of Microsolvated Organic Compounds at Ambient Surfaces: Droplet Velocity, Charge State, and Solvent Effects

ESI-MS differential fragmentation of positional isomers of sulfated oligosaccharides derived from carrageenans and agarans

Atmospheric Pressure Ionization Using a High Voltage Target Compared to Electrospray Ionization

Gas-Phase Stability of Negatively Charged Organophosphate Metabolites Produced by Electrospray Ionization and Matrix-Assisted Laser Desorption/Ionization

Evidence of Molecular Fragmentation inside the Charged Droplets Produced by Electrospray Process