Sentence examples for fragmentation scheme from inspiring English sources

The FMO calculations were used to perform high-level ab initio quantum chemical calculations at MP2/6-31G* MP2/6-31G* for Cl and S) theory level using the one-residue-per-fragment fragmentation scheme.

The fragments and the fragmentation scheme for the used amino acids are depicted in Figure 6.

Due to the multiple possible connections of a single fragment, a fragment structure may contain branches as well as ring closures: Figure 2 illustrates a possible fragment definition for a glycerol dialkyl nonitol tetraether (GDNT) lipid and Figure 3 shows a complete fragmentation scheme resulting from the chosen fragments.

Fragmentation scheme with corresponding fSMILES for a GDNT lipid (the fragments highlighted in bold letters correspond to the highlighted fragments in the fragmentation scheme, the fragment connections are illustrated by harmonic springs).

Observed fragment ion m / z values are indicated in the presumed fragmentation scheme (c) Visualization of metabolites in the whole-insect section In addition to the metabolites mentioned above, many other peaks could be putatively assigned from a single experiment along with the spatial information (ESM Table  S1 and Fig.  S2 ).

Fragmentation scheme of selected amino acids.

Finally, Green-Frag reduces the latency by 22% on average compared to other static frame fragmentation schemes.

Fragments are randomly generated by iterative bond deletion in molecular graphs and hence depart from those obtained by well-defined fragmentation schemes [1].

The thermal degradation behaviour of the polymaleamides was studied by mass spectrometry and thermogravimetric analysis; fragmentation schemes for the polymaleamides are proposed.

Methods in obtaining detailed sequence characterization are described, highlighting the advantage of using multiple fragmentation schemes, CID in ion trap and HCD in C-trap.

The fragments originate from the fragmentation channel (Scheme 7) of ions at m/z 191, m/z 174, m/z 118, and m/z 106 may be used to determine the structure of the side chain, while those produced from the fragmentation channel of ion m/z 178 may be used to determine the substituent groups localized on thiazine ring.