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. 2018 Oct 16;37(1):164–173. doi: 10.1007/s11419-018-0448-3

Table 5.

Accurate mass data, elemental composition, precursor ion in m/z with its mass error in parenthesis (ppm), diagnostic product ions in m/z with their mass errors in parentheses (ppm) for metabolites M1–M4′ in two cases

Metabolites Elemental
composition		 Precursor ion in m/z observed
(mass error, ppm)		 Diagnostic product ions in m/z observed (mass errors, ppm)
M1 C25H25N2O3 401.1866 (− 1.3) 256.1340 (+ 3.1), 158.0605 (+ 3.2), 144.0443 (0), 130.0657 (+ 4.6), 95.0863 (+ 8.4)
M2 C25H25N2O3 401.1867 (+ 2.0) 256.1337 (+ 2.0), 160.0399 (+ 3.7), 97.1019 (+ 8.2), 55.0552 (+ 9.1)
M3,3′ C16H20NO3 274.1442 (+ 1.8) 256.1328 (− 6.6), 212.1436 (+ 1.4), 174.0556 (+ 4.0), 130.0653 (+ 1.5), 118.0653 (+ 5.9), 95.0859 (+ 4.2)
M4,4′ C16H20NO3 274.1438 (+ 0.4) 256.1334 (+ 0.8), 230.1535 (− 1.7), 192.0659 (+ 2.1), 148.0760 (+ 2.0), 134.0603 (+ 2.2), 97.1018 (+ 7.2)