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. 2015 Mar 10;10(3):e0118922. doi: 10.1371/journal.pone.0118922

Table 1. Compound-dependent parameters and ion transitions of the analytes and internal standards (ISs) used for the quantification.

Ionization mode Compound Molecular íon (m/z) Ion transition (m/z) CE a CEP b CXP c DP d EP e
(V) (V) (V) (V) (V)
Positive [M+H]+ Coumarin 147.3 147.3 → 91.0 31 12 4 36 8
147.3 → 103.1 25 8.4 4 36 8
7-hydroxycoumarin 163.1 163.1 → 107.1 33 10.8 4 46 4
163.1 → 77.0 43 11.5 4 46 10
6-methylcoumarin (IS) 161.0 161.0 → 105.2 27 10 4 61 11.5
161.0 → 77.1 45 10 4 61 11.5
Negative [M-H]- o-coumaric acid 162.9 162.9 → 119.0 -18 -10 0.0 -25 -5
162.9 → 93.1 -30 -10 0.0 -25 -5
Kaurenoic acid 301.0 301.0 -10 -22 -4 -70 -5
Isoferulic acid (IS) 192.8 192.8 → 134.2 -20 -10 -4 -25 -6.5
192.8 → 133.5 -34 -10 -4 -25 -6.5
Prednisone (IS) 357.0 357.0 → 327.0 -15 -18 -4 -25 -6.5
357.0 → 299.0 -15 -18 -4 -25 -6.5

Data:

aCE, collision energy;

bCEP, collision cell entrance potential;

cCXP, cell exit potential;

dDP, declustering potential;

eEP, entrance potential.