LC-MS analysis data of intermediate products used to construct photodegradation pathways for bis(1H-tetrazol-5-yl)amine (H(2)BTA)

The photolysis of bis(1H-tetrazol-5-yl)amine (H(2)BTA) in water was carried out in SolSim and Rayonet photochemical reactors equipped with solar simulating and ultraviolet lamps, respectively. The intermediary degradation products were monitored and tentatively identified by liquid chromatography – mass spectrometry (LC–MS). A quadrupole time-of-flight mass spectrometer (QTOF) was used to measure the mass-to-charge ratio (m/z) of the deprotonated molecular ions ([M – H](−)) using electrospray ionization in negative mode (ESI-), thus making it possible to determine the number of C, H, N and O in the molecules. Four major degradation products, namely N-(1H-tetrazol-5-yl)formamide (T(5yl)FA), 1H-tetrazol-5-ylcarbamic acid (T(5yl)CA), N-(1H-tetrazol-5-yl)carbamohydrazonic acid (T(5yl)CHA) and 1H-tetrazol-5-amine (5-AT), have been identified after solar simulated and UV irradiation. This dataset is supplementary to the research paper “Photodegradation of bis(1H-tetrazol-5-yl)amine (H(2)BTA), a high nitrogen content tetrazole-based energetic compound in water” [1].