Page 48 - Application Notebook - Solution for Food Safety

Application No. C161
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„ Library Identification using MRM Spectrum Mode

Chlortetracycline MRM Spectrum 444.00 OH O OH O O
Similarity Score 98 OH
Matrix Salmon 461.95
NH 2
154.00 274.95 285.85
98.05 303.05
260.05 370.95
0 H H OH
303.05 370.95 Cl H O CH 3 N
98.05 260.05 H C CH
154.00 274.95 285.85 3 3
Compound name Chlortetracycline
461.95
Precursor 479.10 [M+H]+
Chlortetracycline Library MRM Spectrum 444.00 Formula C22H23ClN2O8
100 150 200 250 300 350 400 450 m/z CAS 57-62-5
Chlortetracycline 444.00 Chlortetracycline 444.00 Chlortetracycline 444.00
Similarity Score 99 Similarity Score 98 Similarity Score 99
Matrix Beef 461.95 Matrix Milk 461.95 Matrix Egg
461.95
154.00
154.00 274.95
274.95 154.00 274.95
98.05 260.05 98.05 260.05 98.05 260.05
303.05 370.95 303.05 370.95 303.05 370.95
0 100 200 300 400 m/z 0 100 200 300 400 m/z 0 100 200 300 400 m/z

Library Searchable MRM Spectra in Different Matrices Spiked at 10 pg/μL (Chlortetracycline)

Fig. 4 shows the MRM spectra and the n=10 indicated). Also, the %RSD for oxytetracycline,
measurement results of four compounds for salmon sulfadimethoxine, ormetoprim, and virginiamycin
extract spiked with virginiamycin S1 at a concentration spiked into salmon extract (n=10; 10 pg/uL) acquired
of 10 pg/μL. The library match score was above 99 in all using a conventional 2-MRM method was compared
injections (MRM spectra of injections 1, 5 and 10 are with that of the MRM spectrum method.

Virginiamycin S1 MRM Spectrum
OH
205.05 m/z 205.05 Compound name Virginiamycin S1
+ Precursor 824.35 [M+H]+
[Accurate mass 205.06077] N NH 2 O Formula C43H49N7O10
Formula C10H9N2O3 (+4H)
O CAS 23152-29-6
177.00 H 3 C H 3 C
162.10 290.05 481.05 OH N H
259.10 453.10 566.15 663.20 H N O
0 NH O H 3 C N
H 3 C N O H
259.10 453.10 566.15
134.00 481.05 663.20 O
290.05 OH H 3 C O H O
177.00 H N N N
m/z 290.05 NH O O
[Accurate mass 290.11353] N O
Formula C14H16N3O4 (+4H) O CH + O H
H 3 C
205.05 O
Virginiamycin S1 Library MRM Spectrum
150 200 250 300 350 400 450 500 550 600 650 m/z
Virginiamycin S1 Virginiamycin S1 Virginiamycin S1
Similarity Score 99 Similarity Score 99 Similarity Score 100
205.05 Matrix Salmon 205.05 Matrix Salmon 205.05 Matrix Salmon
Injection1 Injection 5 Injection 10
177.00 177.00
177.00
162.10 290.05 162.10
162.10 290.05 566.15 566.15 290.05 566.15
134.00
481.05 663.20 481.05 663.20 481.05 663.20
259.10 453.10 259.10 453.10 259.10 453.10
200 300 400 500 600 m/z 200 300 400 500 600 m/z 200 300 400 500 600 m/z

Compound name Oxytetracycline Sulfadimethoxine Ormetoprim Virginiamycin
Number of MRM's 2MRM's 8MRMs 2MRM's 11MRMs 2MRM's 11MRMs 2MRM's 11MRMs
Mean peak area
Quantitation ion 1890170 1729171 7809989 7227748 8291171 8160952 2232967 1956045
%RSD 3.74 3.04 1.49 1.46 1.54 1.18 0.91 1.65

MRM Spectra and n=10 Results of Salmon Extract Spiked with Virginiamycin S1 at 10 pg/μL