Compound

Precusor ion (m/z)

Cone voltage (V)

Collision energy (eV)

Product ion (m/z)

Elemental composition

Experimental
 mass (m/z)

Theoretical
mass (m/z)

ΔmDa

Δppm

MQCA

189.0664

25

30

C9H9N2

145.0765

145.0766

0.1

0.7

 

 

 

 

C8H8N

118.0659

118.0657

0.2

1.7

QCT

307.1083

25

28

C18H13N2O

273.1026

273.1028

-0.2

-0.7

 

 

 

 

C17H13N2

245.1079

245.1079

0

0

1-DQCT

291.1134

25

32

C17H13N2

245.1070

245.1079

-0.9

-3.7

 

 

 

 

C18H13N2O

273.1029

273.1028

0.1

0.4

4-DQCT

291.1134

25

32

C17H13N2

245.1073

245.1079

-0.6

-2.4

 

 

 

 

C9H8N2

144.0691

144.0687

0.4

2.8

DQCT

275.1184

25

35

C17H13N2

245.1078

245.1079

-0.1

-0.4

 

 

 

 

C16H11N2

231.0936

231.0922

1.4

6.1

Table 3: Elemental composition and accurate mass measurement of product ions obtained in spiked swine liver using of the QToF-MS/MS mode.
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