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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