Generation and characterization of ionic and neutral selenocumulene HC3Se+/ by tandem mass spectrometry and computational study

Selenoketene (H2CCSe)+• and selenoketyl cumulene (HCCSe)+ ions and their neutral counterparts: a tandem mass spectrometric and computational study

“…This can be attributed to the difference in ionization energy between selenium and oxygen [IE (Se) = 9.75 eV vs IE (O) = 13.6 eV]. The appearance of 80 Se +• as abundant fragment ion is very much similar to that in the CID spectra of selenium‐containing ions 29, 30, 33. A group of low abundance peaks at m / z 24–26 corresponding to the C 2 +• , C 2 H + , and C 2 H 2 + ions is also present in the spectrum.…”

“…The mass spectrometric experiments were performed on a VG Micromass Autospec M mass spectrometer of E 1 BE 2 geometry33 (E denotes an electric sector, and B a magnetic sector). The instrument has two collision chambers (cls‐2 and cls‐3) and an intermediate deflector electrode, all in the third field‐free region (between E 1 B and E 2 ).…”

“…They have concluded from their experimental and theoretical study at ROHF and B3LYP/6–31G(d) levels that these anions have linear structure and the even numbered ones are much more stable than those with an odd number 32. Very recently, we have shown that a polycarbon selenocumulene HC 3 Se, is a stable species in the gas phase, by using a combination of NRMS and computational study 33. While the ketene has been well characterized by NRMS34 and theoretical calculations,35, 36 there is no report in the literature on characterization of selenoketene.…”

Molecular Drivers of Base Flipping During Sequence‐Specific DNA Methylation

“…Earlier we reported the characterization of heterocumulenes such as thiocarbonylisothiocyanate [SCNCS],12 thiocarbonylisocyanate [SCNCO],13 cyanoisothiocyanate [NCNCS],14 iminothiosulfine [HCNCS 2 ],15 SiNCX [XO,S],16 and selenocumulene [HC 3 Se] 17. In continuation of our studies on heterocumulenes we focused our attention on ionic and neutral methyleneisothiocyanate, CH 2 NCS +/ .…”

Mass Spectrometry in India

“…58,59 Later, they extensively used the neutralization/re-ionization mass spectrometry (NRMS) technique to characterize various ionic and neutral species in the gas phase. [60][61][62][63][64][65][66][67][68][69][70][71][72][73][74][75][76] In recent years, Srinivas and colleagues have been working on the application of ESI-tandem mass spectrometry (MS/ MS) to tert-butyloxycarbonyl (BOC)-protected peptides (two to eight amino acids) derived from non-natural amino acids such as sugar-substituted b-, g-(or) d-amino acids including hybrid peptides. [77][78][79][80][81][82][83][84][85][86][87][88][89][90][91][92] They have characterized these new peptides by fragmentation of protonated/sodiated species (sequencing) produced under positive (or) negative ESI and matrix-assited laser desorption/ionization (MALDI).…”