李双, 王春芳, 方科益, 陈树兵, 曹国洲, 韩超, 王传现. Study on the Ionization and Fragmentation Law of Acid Dyes by Quadrupole/Electrostatic Field Orbitrap High Resolution Mass Spectrometry[J]. 2020, 39(3): 351-357.
李双, 王春芳, 方科益, 陈树兵, 曹国洲, 韩超, 王传现. Study on the Ionization and Fragmentation Law of Acid Dyes by Quadrupole/Electrostatic Field Orbitrap High Resolution Mass Spectrometry[J]. 2020, 39(3): 351-357.DOI: doi:10.3969/j.issn.1004-4957.2020.03.009.
The existence forms of molecular ion peaks of 18 acid dyes with different structures and properties
and the high accuracy mass number of fragmentation fragments(resolution>70 000
m/z 200) were studied by quadrupole/electrostatic field orbitrap high resolution mass spectrometry(Q-Orbitrap-HRMS)
and the element composition was obtained by element simulation
and then the cracking laws of acid red 1
acid blue 9 and acid red 18 were investigated.Results showed that the molecular ion peaks of these dyes were changed into negatively charged ions by removing all Na ions
in which the bivalent excimer ions with multiple sulfonic groups(SO-3) were the base peaks.With the increase of energy
the fracture process mainly concentrated on the single bond of compound branch chain
in which a tautomer of azido-azo existed in the azo group structure
the azo bond(—N‖N—) of the high bond energy was rearranged into a nitrogen-nitrogen single bond(—NH—N‖)
and the C—N bond and —NH—N‖bond were easily broken.While with the neutral loss of the small molecule
the characteristic fragment ion of m/z 79955 7(SO-3) was generated.The optimum ionization modes and the existence forms of molecular ion peaks of 18 acid dyes were determined by direct injection.The mass spectrometry cracking law for acid red 1
acid blue 9 and acid red 18 provides a reference for the analysis of electrospray ionization mass spectrometry behaviors of similar dyes.