Page 54 - FoodFocusThailand No.194 May 2022

STRONG QC &
STRONG QC & QAQA

Confirmation of Pesticides

in Jalapeno Peppers

Using MS/MS Data

and Library Matching

Software

Food testing labs are frequently confronted with the need for more
confirmatory information when it comes to analyte identification in real-
world samples. In complex matrices, interferences may complicate the
interpretation of data resulting in false positives or reported residue levels to
come into question.

1
Combining the designed identification system with the
software tools allows for the collection of full-scan MS/MS
2
spectra for targeted pesticides in complex food samples. Those
MS/MS data can be subsequently searched against verified
libraries for unambiguous qualitative confirmation of pesticide
detection and ID.
The MS method was set up with a targeted MRM list of
200+ pesticides. IDA (Information Dependent Acquisition)
criteria were defined such that Enhanced Product Ion (EPI)
acquisition would be triggered when an MRM signal
exceeded a threshold of 2000 cps. This type of data
acquisition results in the collection of MS/MS spectral
information in addition to the MRM signal (Fig. 1). Samples of
dried, canned, and fresh jalapeno peppers were extracted
and analyzed for the pesticide panel. Data were processed in
high-performance software for quantitation by MRM and
2
spectral identification by library matching. Figure 2 shows
collected MS/MS spectra being used to confirm the identity รููปที่่� 2 ความเช่�อมั�นสูงในการตรวจพื่บสารในตัวอย่่างที่ด้สอบ ด้้วย่ระบบประมวลผลข้้อมูลที่่�ได้้
1
of the MRM peak in the pepper extract. This additional รับการออกแบบมาเฉพื่าะ และซัอฟต์แวร์ประสิที่ธิิภาพื่สูง 2

stringency in identity confirmation could help protect against Figure 2. High confidence in positive detection possible with the designed
1
reporting false positive detections for residues in complex conformation system and high-performance software 2
samples.
ID and quantitation of pesticides can be achieved with
high confidence using the designed conformation system to
1
collect MS/MS spectra in addition to MRM peaks. Retention More Information Service Info C008
time and MS/MS pattern are compelling evidence that the
identified peak is Difenoconozole. Circles on the
chromatographic peak represent where the EPI scan has
been triggered; the software automatically chooses the ข้้อมููลเพิ่่�มูเติ่มู / Additional Information
QTRAP system ระบบที่่�ได้้รับการออกแบบมาเพื่่�อตรวจวิเคราะห์์สารกำาจัด้ศััตรูพื่่ชในตัวอย่่าง
®
1
highest quality spectrum and displays it on the right. The ที่่�ม่ความซัับซั้อน
colored circle denotes which scan is being displayed. The QTRAP system, the designed system for identification, detection, and confirmation
®
high-performance software results table quickly shows with of pesticides residues in complex sample
2
green checkmarks in the confidence columns where peaks 2 SCIEX OS-Q software ซัอฟต์แวร์ที่่�ใช้กับเคร่�องแมสสเปกโตรมิเตอร์ (Mass spectrometer)
have been confirmed with RT error <2% and library fit score สำาห์รับห์้องปฏิิบัติการ ซั่�งให์้ผลการวิเคราะห์์ที่ั�งในเชิงคุณภาพื่และเชิงปริมาณ เพื่่�อย่่นย่ัน
of >80%. Rapid visual assessment of large sample sets is สารกำาจัด้ศััตรูพื่่ชที่่�พื่บในตัวอย่่างเที่่ย่บกับคลังข้้อมูลอย่่างรวด้เร็ว
jcomp
possible, ultimately resulting in greater efficiency and SCIEX OS-Q software, mass spectrometer software for the modern laboratory, provides
increased qualitative confidence in reported detections both qualitative and quantitative results to confirm the pesticides in sample comparable
during data processing for residues in food samples. with the library quickly

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