Study on Ionization and Fragmentation Law of 4 Sudan Red Dyes by Quadrupole/Electrostatic Field Orbitrap High Resolution Mass Spectrometry(Q-Orbitrap-HRMS)
陈树兵, 余晓玲, 李双, 方科益, 余晓琴, 韩超. Study on Ionization and Fragmentation Law of 4 Sudan Red Dyes by Quadrupole/Electrostatic Field Orbitrap High Resolution Mass Spectrometry(Q-Orbitrap-HRMS)[J]. 2020, 39(9): 1143-1148.
陈树兵, 余晓玲, 李双, 方科益, 余晓琴, 韩超. Study on Ionization and Fragmentation Law of 4 Sudan Red Dyes by Quadrupole/Electrostatic Field Orbitrap High Resolution Mass Spectrometry(Q-Orbitrap-HRMS)[J]. 2020, 39(9): 1143-1148.DOI: doi:10.3969/j.issn.1004-4957.2020.09.013.
The high accuracy mass number of fragmentation fragments(resolution>70 000
m/z 200) was obtained by quadrupole/electrostatic field orbitrap high resolution mass spectrometry(Q-Orbitrap-HRMS)
and the element composition was obtained by element simulation
and then the fragmentation law for Sudan red Ⅰ
Ⅱ
Ⅲ and Ⅳ was investigated.Results showed that the existence of hydroxyl groups in molecular structure could easily be protonated to form [M+H]+
and the cracking process occurs in the vicinity of azo groups:First
the presence of azo-conjugated o-phenol hydroxyl group(H group) leads to rearrangement of compound structure from enol to hydrazone
where H is transferred to N atom
and the high bond azo bond(—N‖N—) is rearranged to nitrogen single bond(—NH—N‖).Second
no migration occurs as the azo bond is ortho free for H
while the azo bond(—N‖N—) with high bond energy remains unchanged
and the fragment ions are formed by breaking the C—N bonds on both sides.Third
in high impact energy
there exist simultaneous cleavage of the chemical bond and open-loop cleavage of the ring-ring
and the fragment ions containing a plurality of azo groups are also richer.The best ionization mode and mass spectrum fragmentation law for the four Sudan Red dyes were determined by direct injection
which provided a basis for the rapid identification of such compounds.