Peak no.

Compound

Elemental composition

Experimental mass (m/z)

Theoretical mass (m/z)

Error

 

mDa

ppm

1

MQCA

C10H9N2O2

189.0668

189.0664

0.9

1.0

2

QCT

C18H15N2O3

307.1068

307.1083

-0.4

-1.3

3

4-DQCT

C18H15N2O2

291.1137

291.1134

0.6

1.2

4

1-DQCT

C18H15N2O2

291.1130

291.1134

-1.3

-2.6

5

DQCT

C18H15N2O

275.1167

275.1184

-1.2

-4.4

Table 1: Accurate mass measurements of molecular ions of target compounds in a standard solution in PI mode.
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