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Table 4 LC-Orbitrap MS/MS data for the studied microcystins

From: First report of detection of microcystins in farmed mediterranean mussels Mytilus galloprovincialis in Thermaikos gulf in Greece

Microcystins Molecular Formula tR
(min)
Monocharged ion [M+H]+ Bicharged ion [M+H]2+
Theor. accurate mass Exp. accurate Mass Δ (ppm) RDBE Theor. accurate mass Exp. accurate mass Δ (ppm) RDBE
MC-RR C49H75N13O12 6.63 1038.5731 1038.5743 1.1554 17.5 519.7902 519.7910 1.609 18
Fragment C9H11O       135.0806 135.0807 0.7403 4.5
MC-LR C49H74N10O12 7.56 995.5560 995.5572 1.151 17.5 498.28166 498.28170 0.0803 17
Fragment C9H11O   135.0806 135.0808 1.4806 4.5     
MC-YR C52H72N10O13 7.46 1045.5353 1045.5372 1.8380 21.5 523.2713 523.2725 0.5813 21
Fragment C9H11O   135.0806 135.0808 1.4806 4.5     
  1. Ions from which the fragments were generated are shown in bold