Analytical chemistry

1. ANALYTICAL CHEMISTRY
TOPIC: MASS SPECTROSCOPY
SUBMITTED TO :
Ma’am Donabel M. Paragas

2. GROUP MEMBERS:
• Y DIVYA REDDY.
• NINGAPPA GAGANA.
• ARUN KUMAR ANNAPOORNESHWARI.
• RAMAPPA KANAKAL SPOORTHI
• RAGHAVENDRA MAHITHASREE

3. • DEFINITION OF SPECTROMETRY.
• DEFINITION OF MASS SPECTROMETRY.
• FUNCTIONS OF MASS SPECTROMETER.
• BASIC PRINCIPLE.
• BASIC COMPONENTS.
• WORKING PRINCIPLE.
• USES OR APPLICATIONS.
• MERITS AND DE-MERITS.
• CONCLUSION
CONTENTS:

4. DEFINITION OF SPECTROMETRY:
Spectroscopy is the study of interaction
of matter with the electromagnetic
radiation. Historically, spectroscopy
originated through the study of visible
light dispersed according to its
wavelength and later concept was
expanded to interaction with the
frequency. Spectroscopic data is often
represented by the spectrum.

5. DEFINITION OF MASS SPECTROSCOPY(MS):
 Mass spectrometry deals with the study of the charged molecules and fragment ions
produced from a sample exposed to ionizing conditions, and also of the relative
intensity spectrum which results from the correlation of the ions with their mass to
charge ratio.
 Mass spectroscopy concept is first introduced by scientists :
Sir .J .J Thomson and Wiens.
 Mass spectrometry is an analytical procedure employed to quantify known
materials, to identify unknown compounds within a sample and to expose the
structure and chemical properties of various molecules.
 The complete process encompasses the conversion of the sample into gaseous ions,
with or without fragmentation, which later are categorized by their mass to charge
ratios (m/z) and relative abundances.
 The heart of the MS is the ion source.

6. FUNCTIONS OF MASS SPECTROMETER:
Principally, mass spectrometer
executes three functions:
1.Creates a positive ions from a
neutral sample.
2.Separates the ions according to
their mass/charge ratio.
3.Measures the relative abundances
of the ions and their relative
masses; the information being
represented as a mass spectrum.

7. BASIC PRINCIPLE:
A spectrometer produces multiple ions from the sample
under examination; it then splits them according to their
specific mass to charge ratio (m/z) and then records the
relative profusion of each ion type.
The analysis of compounds starts with gas phase ions
formation of the compounds, generally by electron ionization
where molecular ions undergo fragmentation.
The separation of ions are made based on their mass to charge
ration and are detected in proportion to their abundance.
Hence mass spectrum for a molecule is obtained.
The result is displayed on a plot of ion abundance versus
mass to charge ratio and all related information regarding the
nature and structure of the molecule is derived.

8. BASIC COMPONENTS OF MASS SPECTROMETRY:
The essential components of a mass spectrometer consists of:
o A sample inlet
o An ionization source
o A mass analyzer
o An ion detector
o Vacuum system

9. WORKING PRINCIPLE:
Ions being highly reactive and short-
lived, formation and manipulation of
ions need to be conducted in a vacuum.
 The pressure under which ions may be
handled is roughly 10-5 to 10-8 torr.
In one common method, ionization is
achieved by a high energy electron
beam bombardment and ion separation
is attained by accelerating and focusing
the ions on a beam, bent by an external
magnetic field.
The ions are then detected
electronically, and the result is stored
and analyzed.

10.  Cations formed by the electron
bombardment (red dots) are pushed
away by a charged repelling plate
(anions are attracted to it) and
accelerated toward other electrodes,
having slits through which the ions
pass as a beam. Some of these ion's
fragment into smaller cations and
neutral fragments.
 A perpendicular magnetic field bends
the ion beam in an arc whose radius is
inversely proportional to the mass of
each ion.
 Lighter ions suffer more deflection than
heavier ions.
 By altering the strength of the
magnetic field, ions of different mass
can be focused progressively on a
detector fixed at the curved tube end
(also under a high vacuum).

11. USES OR APPLICATIONS OF MS:
 Mass spectrometers are sensitive detectors of isotopes based on
their masses.
 They are used in carbon dating and other radioactive dating
processes.
 The combination of a mass spectrometer and a gas
chromatograph makes a powerful tool for the detection of
trace quantities of contaminants or toxins.
 Several satellites and spacecraft have mass spectrometers for
the identification of the small numbers of particles intercepted
in space.
 For example, the SOHO satellite uses a mass spectrometer to
analyze the solar wind.
 Mass spectrometers are used for the analysis of residual gases
in high vacuum systems.

12.  Mass spectrometry is applicable across diverse fields, including forensic
toxicology, metabolomics, proteomics, pharma/biopharma, and clinical
research. Specific applications of mass spectrometry include drug testing
and discovery, food contamination detection, pesticide residue analysis,
isotope ratio determination, protein identification, and carbon dating.
 Listed below are some application areas in which mass spectrometry has
been used to discover, deduce, and quantify sample compounds.
• Proteomics.
• Metabolomics.
• Environmental analysis
• Pharmaceutical analysis
• Forensic analysis
• Clinical drug development

13. MERITS OF MS:
1.Increased sensitivity over most other analytical
techniques because the analyzer, as a mass-
charge filter, reduces background interference.
2.Excellent specificity from characteristic
fragmentation patterns to identify unknowns or
confirm the presence of suspected compounds.
3.Information about molecular weight.
4.Information about the isotopic abundance of
elements.
5.Temporally resolved chemical data.

14. DE-MERITS OF MS:
1.Often fails to distinguish between
optical and geometrical isomers
2.The positions of substituent in o-, m-
and p- positions in an aromatic ring.
3.Also, its scope is limited in identifying
hydrocarbons that produce similar
fragmented ions.

15. CONCLUSION:
 Mass spectrometry is used for the study of charges molecules
and fragment ions.
 This it is useful for the identification of an unknown
compound.
 The use of MS was originally limited to the study of
elemental isotopes.
 However, as the instrumentation, computer technology, and
associated software have improved, the range of MS
applications has increased.
 The wide variety of sample types that can now be analyzed,
and the breadth of information that can be obtained, have
helped MS to permeate into an extensive range of research
areas.
 The result is that MS has become an essential analytical tool
in biological research.

16. THANK YOU