Table S4 Mass spectra data and proposed structure of identified intermediates Molecular Retention Molecular Molecular Structural Mass (m/z) ppm Molecular structure formula time (min) weight unsaturation unsaturation 226.0935 [M+H]+/ ACV C8H11N5O3 11.16 225.0862 -0.4 6 6 224.0789 [M-H]- 186.0869 P-1 C7H11N3O3 2.87 185.0800 2.26 4 4 [M+H]+ 278.0496 P-2 C8H9N5O5 3.09 255.0604 -0.5 7 7 [M+Na]+ 152.0570 P-3 C5H5N5O 11.01 151.0494 -1.3 6 6 [M+H]+ 153.0409 P-4 C5H4N4O2 11.19 152.0334 -1.3 6 6 [M+H]+ 114.0923 P-5 C5H11N3 27.64 113.0953 2.42 2 2 [M+H]+
Table S4 Mass spectra data and proposed structure of identified intermediates Molecular formula Retention time (min) Molecular weight Mass (m/z) ppm Molecular structure Molecular unsaturation Structural unsaturation ACV C8H11N5O3 11.16 225.0862 226.0935 [M+H]+/ 224.0789 [M-H]- -0.4 6 6 P-1 C7H11N3O3 2.87 185.0800 186.0869 [M+H]+ 2.26 4 4 P-2 C8H9N5O5 3.09 255.0604 278.0496 [M+Na]+ -0.5 7 7 P-3 C5H5N5O 11.01 151.0494 152.0570 [M+H]+ -1.3 6 6 P-4 C5H4N4O2 11.19 152.0334 153.0409 [M+H]+ -1.3 6 6 P-5 C5H11N3 27.64 113.0953 114.0923 [M+H]+ 2.42 2 2
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