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Table 2 The LC-MS2 spectral and UV-Vis analysis indicating compound characteristics of the glutathionyl-S-caffeoylquinic acid conjugate extracted from S. lycopersicum

From: Altered metabolomic states elicited by Flg22 and FlgII-28 in Solanum lycopersicum: intracellular perturbations and metabolite defenses

Chemical formula HR-ESI-MS found HR-ESI-MS calculated Mass difference ppm error MS2 of 660.17 [M + H]+ UV-Vis max (nm)
C26H34N3O15S+ 660.1693 [M + H]+ 660.1705 [M + H]+ -0.0012 -1.8 660.17 [M + H]+
585.15 [M-H-C2H4NO2]+
530.15 [M + H-C5H8NO3]+
468.13 [M + H-quinic acid]+
307.17 [M + H-C16H17O9]+
283, 519
      MS2 for 658.15 [M-H]-
C26H32N3O15S 658.1548 [M-H] 658.1559 [M-H] -0.0011 -1.7 658.15 [M-H]
515.10 [M-H-C5H10N2O3]
466.07 [M-H-quinic acid]
385.05 [M-H-C10H16N3O6]
191.02 [M-H-C19H22N3O9S]
  1. The fragments (m/z ions) obtained overlap with what has been described in scientific literature [26]