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. 2017 Apr 6;8:472. doi: 10.3389/fpls.2017.00472

Table 5.

Mass spectral data for identification of phenolic acids, flavonols and anthocyanins in blackberry leaves (B) by LC/MS data.

Peak no. Compound Rt (min) Positive ionization mode (+) Negative ionization mode ()
Selected ion m/z exp. Fragment ions* Selected ion m/z exp. Fragment ions*
2 cyanidin-3-O-glucoside 2.6–3.1 [M+H]+ 449.0 287.0 [M-H] 446.9 284.7
4 quercetin-3-O-rutinoside 13.6–14.1 [M+Na]+ [M+K]+ 633.2 649.2 303.0 286.9 271.0 [M-H] 609.0 300.7
5 kaempferol-3-O-rutinoside 15.9–16.4 [M+Na]+ 617.2 286.9 270.9 [M-H] 593.0 284.7
6 quercetin-3-O-glucoside 16.6–17.2 [M+Na]+ [M+K]+ 487.1 503.0 303.0 286.9 270.9 ND
*

Peaks corresponding to the aglycon moiety.

ND- non detected.