58
A targeted approach by using PRM has been developed for the characterization
of six bacterial protein toxins of Clostridium perfringens of potential warfare significance [37].
Similarly an immuno-LC-MS/MS method, using PRM, for the simultaneous and
specific quantification of the three potential biological warfare agents, ricin, staphylococcal enterotoxin B, and epsilon toxin, in complex human biofluids and food
matrices has been setup [38].
On the other hand, an untarget analysis is able to detect both unexpected compounds, true unknowns, such as new emerging pesticides and toxins not yet integrated into current monitoring plans, and already known compounds. Among many
others, some examples of untarget analysis are the use of the SWATH method for
the identification and quantitation of pesticide residues in food [39]; a screening
method based on a GC-APCI-MS
E
approach for around 130 pesticides in fruit and
vegetable samples; identification and quantification of domoic acid by UHPLCQTOF MS
E
tandem mass spectrometry, with simultaneous identification of nontarget photodegradation products [40].
Looking for unknown and known analytes, high resolution should be used both
in analysis of small molecules, such as contaminants and pesticides [41, 42] offering in this case the possibility to determine the accurate mass and the chemical
formula, and in the case to big molecules, such as proteins, for a better certainty of
identification and for the ability to detect polymorphisms and post-translational
modifications.
References
1. Gross JH (2017) Mass spectrometry. A textbook, 3rd edn. Springer Verlag, Berlin/Heidelberg
2. Cole RB (2010) Electrospray and MALDI mass spectrometry: fundamentals, instrumentation,
practicalities, and biological applications, 2nd edn. Wiley, Hoboken
3. Cifuentes A (2013) Foodomics: advanced mass spectrometry in modern food science and
nutrition. Wiley, Hoboken
4. Witczak A, Sikorski ZE (eds) (2017) Toxins and other harmful compounds in foods, 1st edn.
CRC Press, Boca Raton
5. L’Homme B, Scholl G, Eppe G, Focant J-F (2015) Determination of PCDD/Fs and dioxinlike PCBs in food and feed using gas chromatography-triple quadrupole mass spectrometry. J
Chromatogr A 1376:149–158
6. Melchert HU, Pabel E (2004) Reliable identification and quantification of trichothecenes and
other mycotoxins by electron impact and chemical ionization-gas chromatography–mass spectrometry, using an ion-trap system in the multiple mass spectrometry mode: candidate reference method for complex matrices. J Chromatogr A 1056:195–199
7. Barber M, Bordoli RS, Sedgwick RD, Tyler AN (1981) Fast atom bombardment of solids as an
ion source in mass spectrometry. Nature 293:270–275
8. Ambient ionization mass spectrometry. New developments in mass spectrometry. (2014)
Domin M, Cody R (eds). Royal Society of Chemistry
9. Ifa DR, Wiseman JM, Song QY, Cooks RG (2007) Development of capabilities for imaging
mass spectrometry under ambient conditions with desorption electrospray ionization (DESI).
Int J Mass Spectrom 259:8–15
G. Giorgi
A targeted approach by using PRM has been developed for the characterization
of six bacterial protein toxins of Clostridium perfringens of potential warfare significance [37].
Similarly an immuno-LC-MS/MS method, using PRM, for the simultaneous and
specific quantification of the three potential biological warfare agents, ricin, staphylococcal enterotoxin B, and epsilon toxin, in complex human biofluids and food
matrices has been setup [38].
On the other hand, an untarget analysis is able to detect both unexpected compounds, true unknowns, such as new emerging pesticides and toxins not yet integrated into current monitoring plans, and already known compounds. Among many
others, some examples of untarget analysis are the use of the SWATH method for
the identification and quantitation of pesticide residues in food [39]; a screening
method based on a GC-APCI-MS
E
approach for around 130 pesticides in fruit and
vegetable samples; identification and quantification of domoic acid by UHPLCQTOF MS
E
tandem mass spectrometry, with simultaneous identification of nontarget photodegradation products [40].
Looking for unknown and known analytes, high resolution should be used both
in analysis of small molecules, such as contaminants and pesticides [41, 42] offering in this case the possibility to determine the accurate mass and the chemical
formula, and in the case to big molecules, such as proteins, for a better certainty of
identification and for the ability to detect polymorphisms and post-translational
modifications.
References
1. Gross JH (2017) Mass spectrometry. A textbook, 3rd edn. Springer Verlag, Berlin/Heidelberg
2. Cole RB (2010) Electrospray and MALDI mass spectrometry: fundamentals, instrumentation,
practicalities, and biological applications, 2nd edn. Wiley, Hoboken
3. Cifuentes A (2013) Foodomics: advanced mass spectrometry in modern food science and
nutrition. Wiley, Hoboken
4. Witczak A, Sikorski ZE (eds) (2017) Toxins and other harmful compounds in foods, 1st edn.
CRC Press, Boca Raton
5. L’Homme B, Scholl G, Eppe G, Focant J-F (2015) Determination of PCDD/Fs and dioxinlike PCBs in food and feed using gas chromatography-triple quadrupole mass spectrometry. J
Chromatogr A 1376:149–158
6. Melchert HU, Pabel E (2004) Reliable identification and quantification of trichothecenes and
other mycotoxins by electron impact and chemical ionization-gas chromatography–mass spectrometry, using an ion-trap system in the multiple mass spectrometry mode: candidate reference method for complex matrices. J Chromatogr A 1056:195–199
7. Barber M, Bordoli RS, Sedgwick RD, Tyler AN (1981) Fast atom bombardment of solids as an
ion source in mass spectrometry. Nature 293:270–275
8. Ambient ionization mass spectrometry. New developments in mass spectrometry. (2014)
Domin M, Cody R (eds). Royal Society of Chemistry
9. Ifa DR, Wiseman JM, Song QY, Cooks RG (2007) Development of capabilities for imaging
mass spectrometry under ambient conditions with desorption electrospray ionization (DESI).
Int J Mass Spectrom 259:8–15
G. Giorgi