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Lecture Note on Mass Spectroscopy

Lecture Note on Mass Spectroscopy

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Published by Anand Barapatre
Mass Spectroscopy
Mass Spectroscopy

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Categories:Types, Research
Published by: Anand Barapatre on Apr 24, 2013
Copyright:Attribution Non-commercial

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04/24/2013

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M. Kaisarul Islam, Lecturer, Department of Pharmacy, Jagannath University, Dhaka-1100, Bangladesh
 
1
Mass spectroscopy
Mass spectroscopy is a quantitative and qualitative analytical technique bywhich we can measure the molecular mass and formula of a compound andthe record is known as mass spectra.Mass spectra is useful −
 
To establish the structure of a new compound
 
To give the exact molecular mass
 
To give the molecular formula
 
To indicate the presence of functional group in a compound
Principle/function:
The mass spectrometer is designed to perform four basic functions −
 
To vaporize the compound by increasing volatility.
 
To generate the ions from the neutral compound in resulting vaporpressure
 
To separate the ions according to their mass to charge ratio (m/z) ina magnetic field.
 
To collect the mass and record.Theory:
1.
 
 Molecular ion production:
 
Mass spectrometer is a device for the production and weighingof ions.
 
Molecules are subjected to bombardment by a stream of high-energy electrons, converting some of the molecules to ions. Themolecular ions are usually radical cation and some may beradical anion.
[M][M][M][M]- e
-
+- e
-
-
 
or,
 
 
M. Kaisarul Islam, Lecturer, Department of Pharmacy, Jagannath University, Dhaka-1100, Bangladesh
 
2
2.
 
Fragmentation:
 
When the molecule has been bombarded by high-energyelectrons to produce ions, the molecule absorbs sufficientenergy and undergo fragmentation.B
+
+ neutralA
+
 C
+
+ neutralDecompose to produce new ionsD
+
+ neutral
3.
 
Separation of ions:
 
The mixture of ions are separated according to the mass chargeratio in the analyzer and then recorded.
 
The record is known as the mass spectrum. It is the record of abundance of each ion against its m/z value.
4.
 
 Mass spectrum:
 
The mass spectrum is a plot of ion current intensity (ionabundance) versus m/z value.
 
The most abundant peak will give the tallest peak of the massspectra. This peak is known as the base peak and its massarbitrarily assigned a value of 100%. The heaviest peak is themolecular ion peak and its mass will give the mass of themolecule.
C
+
 B
+
 Relative absorbance
DA
+
 m/z value
 
 
M. Kaisarul Islam, Lecturer, Department of Pharmacy, Jagannath University, Dhaka-1100, Bangladesh
 
3
 Isotope peak:Isotopes present in the molecule may generate additional peak. Due to theoccurrence of isotopes we also observe M+1, M+2, M+3 etc peaks. Therelative abundances of these isotopic peaks are proportional to theabundance of the isotope in nature
(e.g. the natural abundance of 
13
C is1.1% of the
12
C atoms. For an ion containing n number of carbon atoms, theabundance of isotope peak is nX1.1% of the
12
C containing peak.M+1 peaks are made by −
13
C,
2
H,
15
N,
33
SM+2 peaks are made by −
18
O,
34
S,
37 
Cl,
81
Br)
 
Base peak M
+
peak Relative abundance
 M +1M + 2m/z ratio
 
M+1 and M+2 peak in benzene:
Benzene shows molecular ion peak at m/z value 78 due to C
6
H
6
. It willalso show M+1 peak at m/z 79 due to
13
CC
5
H
6+
or, C
6
H
5
D
+
.M+2 peak will also show at m/z 80 due to
13
CC
5
H
5
D
+
or, 13C
2
C
4
H
6+
or,C
6
H
4
D
2+
.
The relative abundances of this isotopic can be used to determinemolecular formula.

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