Applications of mass spectroscopy in pharmacy(including other sectors).Applications of mass spectroscopy. ........For more information………………Go to : http://dx.doi.org/10.5772/intechopen.70655............

1. M R Sumon Sarkar
Department of Pharmacy

3. Contents:
 What is mass spectroscopy?
 Instrumentation.
 Applications in pharmacy.
 a wide range of applications of mass spectroscopy.
 Conclusion.
 References.

4. What IS MASS SPECTROSCOPY?
 Mass spectroscopy (MS) is an advanced technique for
determining the molecular weight of a compound. The
first mass spectrometer was developed in 1912 by J.J.
Thompson.
 Mass spectrometry is a powerful analytical technique
used to-
• quantify known materials,
• to identify unknown compounds within a sample, and
• to elucidate the structure and chemical properties of
different molecules.

5. Sample
inlet system
Instrumentation
 The instrument consists of five major components:

7. a wide range of applications of mass spectroscopy:
applications of mass
spectroscopy
Biotechnology
Pharmaceutical
Clinically
Biochemistry
Environmental
Metallurgy
Geological
Forensic

8.  biotechnology
 Proteins, peptide analysis.
 Metallurgy
 Determination of rare earth metals and
metals at ppq (parts per quadrillion).
 Geological
 Oil composition, hydrocarbon fraction
determination in petroleum industry.
 clinical
 Neonatal screening, hemoglobin analysis,
drug testing.
 environmental
 Water quality, food contamination,
pollutant determination.
 forensic
 Poison and drug metabolite determination.
 Biochemistry
 Chemical modification, molecular weight
determination.

9. Application
s in
pharmacy

10. Phytochemical analysis:
 Mass spectroscopy(MS) is widely employed in phytochemical analysis due to its capability to
identify and measure metabolites having very low molecular weight at very low concentration
ranges below nano gram per milliliter (ng/mL). Therefore, it is considered as trace analysis
methodology.
 Separation techniques like capillary electrophoresis, gas chromatography and high-
performance liquid chromatography are united with mass spectroscopy for analysis.
 Several phytoconstituents, fatty acids, volatile oils, flavonoids, glycosides etc. can be analyzed
by MS.

11. Structure elucidation:
 Mass spectroscopy has major use in structure elucidation of compounds. Mass spectrum is
produced in the form of bar graph which is interpreted by using the following peaks:
1. Base peak.
2. Molecular ion peak.
3. Fragment ion peak.
4. Metastable ion peak.
 Identification of specific functional groups and also differentiation between isomeric
functional groups.
 Determination of natural products, unknown products through fragmentations..

12. Peptide and protein sequence/structure analysis:
 Mass spectroscopy has an important application in analysis of sequence of amino acids in
proteins and peptides. The peptide sequence was analyzed using combination of gas-phase
ion/ion chemistry and tandem mass spectrometry.
 Structure analysis tool for large multi-protein complexes.
 Detection of serine, threonine and tyrosine-
phosphopeptides at very low level of femto mole in protein
digests.
 Determination of amino acid sequence of fractions of peptides
from apolipoprotein.
 Protein drug development.

13.  Clinical studies
 Imaging of drugs and metabolites in tissue.
 Testing of vitamin.
 clinical microbiology.
 Investigation of bile acids in biological fluids.
 Diagnosis and characterization of inborn errors of organic acid metabolism.
 Matrix assisted laser desorption/ionization mass spectrometry (MALDI-MS) is
now in trend that is used to directly analyze and image pharmaceutical
compounds in intact tissue.
 Concentration of drug was determined at nanogram level.

14.  Pharmaceutical industry:
 Mass spectroscopy emerged as a powerful tool for various operations in
pharmaceutical field mainly in drug development.
 Drug discoveries.
 Detection of the purity profile of active
pharmaceutical ingredients (API).
 Qualitative and quantitative analysis of pharmaceutical. Example-determination
of molecular formula, identification of compounds, study of isotope abundance,
analysis of mixture of compounds.
 Matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-
MSI) emerged as a valuable tool in direct analysis of pharmaceutical
formulations.

15.  To investigate use of illegal drugs through analyzing body fluids and tissues.
Example- opiates, cocaine, marihuana, lysergic acid diethylamide (LSD) and
amphetamines.
 Forensic pharmacy:
 Cases of murders or death due to poisoning and drug
overdose.
 Quantitative analysis of some drugs having hypnotic,
sedative and tranquilizing properties. Such as-
benzodiazepine, thioxanthene, butyrophenone,
methadone.

16.  Analysis of biotransformation pathway for many drugs and xenobiotics.
 Stable isotope-labeled (H-2, C-13, N-15, O-18, S-34 and others) xenobiotics can facilitate
metabolite detection and identification by mass spectrometry, especially when radiolabeled
parent drug is not available.
 Determination of metabolic pathway and different metabolites of a drug or xenobiotics is very
important to assess its different parameters of pharmacokinetics.
 Metabolites analysis:

17. Mass spectrometry is a very sensitive technique which can analyze even minute
quantities of the molecule. This ability is utilized for various purposes like
phytochemical, clinical, pharmaceutical and forensic analyses
 This technique, not only elucidates the structure of the compounds, but also provides
the information of molecular formula and the isotopic abundance of particular
molecular formula.
CONCLUSION

18. REFERENCE
 Baghel,U.S., Singh,A.,Singh,D., Sinha,M., Application of Mass Spectroscopy in
Pharmaceutical and Biomedical Analysis. Spectroscopic Analyses - Developments
and Applications.2017;6:106-117
Mass spectrometry, https://en.wikipedia.org/wiki/Mass_spectrometry Accessed 6
May,2020.
Mass Spectrometry Applications Areas,
https://www.thermofisher.com/bd/en/home/industrial/mass-spectrometry/mass-
spectrometry-learning-center/mass-spectrometry-applications-area.html Accessed
6 May,2020.

19. For more information………………Go to :
http://dx.doi.org/10.5772/intechopen.70655....
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