Page 68 - Clinical-Medical Solution for Clinical Chemistry

Application No. C158
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 Structural Analysis Using In-Source CID
Analysis
While a triple quadrupole mass spectrometer is usually
used for structural analysis, a single quadrupole mass
spectrometer can also obtain molecular structure
information as well as molecular weight information by
setting the lens system to a high voltage.
Analysis that utilizes PESI results in a unique mass
chromatogram (Fig. 4) because the probe is driven at a
constant frequency to repeat a process of sampling
followed by ionization by applying a high voltage.
Fig. 5 shows the mass chromatogram obtained in our
example. Applying a voltage of −80 V to DL bias and
Q-array bias allows molecular structure information to be
obtained and enables quick and simple screening analysis
for cyanide in blood serum. Mass Chromatogram from DPiMS-2020
For reference, Fig. 6 shows the product ion (MS/MS) mass
spectrum of the cyanide derivative obtained using the
LCMS-8040 triple quadrupole mass spectrometer.

Mass Spectrum from DPiMS-2020

Product Ion Mass Spectrum from LCMS-8040 (Reference)

 DPiMS-2020 Analysis Conditions
When performing analysis using the DPiMS-2020, the
drive conditions of the PESI probe and the analysis
conditions of the mass spectrometer must be set.

Table 1 and 2 list the drive and analysis conditions
respectively.
Table 1 PESI Drive Conditions
Table 2 Mass Spectrometer Analysis Conditions
Ionization position : −37 mm
Ionization stop time : 100 msec DL temperature : 250 °C
: 35 °C
Heater block temperature
Sampling position : −46 mm Interface voltage : −2.45 kV (ESI – Negative mode)
Sampling stop time : 50 msec
Probe speed : 250 mm/s DL bias voltage : : −80 V (m/z 299)
−80 V (m/z 299)
Q-array bias voltage
Probe acceleration : 0.63 G
References
*1 S. Chinaka, N. Takayama, Y. Michigami, and K. Ueda. J. Chromatogr. B. 713: 353–359 (1998)

Acknowledgments
We would like to thank associate professor Kei Zaitsu and assistant professor Yumi Hayashi at the Nagoya University Graduate School of Medicine
for their guidance regarding data acquisition and sample preparation.

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First Edition: Jul. 2017
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