Compound

RTa (min)

S.Db
(n=6)

Elemental composition

Theoretical mass(m/z)

Experimental mass(m/z)

Error

mDa

ppm

MQCA

1.76

1.14

C10H9N2O2

189.0664

189.0658

0.1

5.0

QCT

2.69

0.35

C18H15N2O3

307.1083

307.1097

1.4

4.6

4-DQCT

3.14

1.30

C18H15N2O2

291.1134

291.1141

0.7

2.4

1-DQCT

3.41

0.65

C18H15N2O2

291.1134

291.1137

0.3

1.0

DQCT

4.05

1.09

C18H15N2O

275.1184

275.1171

1.3

4.7

aRT–Mean retention time, bS.D–Standard deviation
Table 2: Elemental composition and accurate mass measurement of precursor ions obtained in spiked swine liver using the full MS.
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