BY 
MADHUKAR 
11GQ1R0028 
Mass spectroscopy
INTRODUCTION 
 Mass or molecular weight of a compound can be 
found in several ways .one such technique is using 
mass spectrometer 
 It is an analytical chemistry technique that helps 
identify the amount and type of chemicals present in 
a sample by measuring mass-to-charge ratio and 
abundance of gas-phase ions
Principle 
 A mass spectrometer generates multiple ions 
from the sample under investigation 
 This molecular ion undergoes fragmentation. 
Each primary product ion derived from the 
molecular ion, in turn, undergoes fragmentation, 
and so on.
 The ions are separated in the mass spectrometer 
according to their mass-to-charge ratio, and are 
detected in proportion to their abundance. A mass 
spectrum of the molecule is thus produced. 
 It displays the result in the form of a plot of ion 
abundance versus mass-to-charge ratio
Obtaining mass spectra consist of 2 
types; 
 Conversion of neutral molecule into a charged 
molecule, preferably to a positively charged 
molecule. 
 Separation of the positively charged fragments 
formed, based on their masses, by using electrical 
or magnetic field or both.
Instrumentation 
The instrument consists of three major components: 
Ion Source: For producing gaseous ions from the 
substance being studied. 
Analyzer: For resolving the ions into their characteristics 
mass components according to their mass-to-charge ratio. 
Detector System: For detecting the ions and recording 
the relative abundance of each of the resolved ionic species.
Components of a Mass Spectrometer
 In addition, a sample introduction system is 
necessary to admit the samples to be studied to 
the ion source while maintaining the high 
vacuum requirements (~10-6 to 10-8 mm of 
mercury) of the technique; and a computer is 
required to control the instrument, acquire and 
manipulate data, and compare spectra to 
reference libraries
With all the above components, a mass spectrometer 
should always perform the following processes; 
 Separate these ions according to their mass-to-charge ratio in 
the mass analyzer. 
 Eventually, fragment the selected ions and analyze the 
fragments in a second analyzer. 
 Detect the ions emerging from the last analyzer and measure 
their abundance with the detector that converts the ions into 
electrical signals. 
 Process the signals from the detector that are transmitted to 
the computer and control the instrument using feedback.
Chromatographic techniques combined with mass 
spectrometry 
 An important enhancement to the mass 
resolving and mass determining capabilities of 
mass spectrometry is using it in tandem with 
chromatographic separation techniques.
Gas chromatography 
A common combination is gas chromatography-mass 
spectrometry (GC/MS or GC-MS). In this technique, a gas 
chromatograph is used to separate different compounds. 
This stream of separated compounds is fed online into the ion 
source, a metallic filament to which voltage is applied. This 
filament emits electrons which ionize the compounds. 
 The ions can then further fragment, yielding predictable 
patterns. 
 Intact ions and fragments pass into the mass spectrometer's 
analyzer and are eventually detected.
Liquid chromatography 
 Indianapolis Museum of Art conservation 
scientist performing liquid chromatography– 
mass spectrometry.
 Similar to gas chromatography MS (GC/MS), liquid 
chromatography-mass spectrometry (LC/MS or LC-MS) 
separates compounds 
 chromatographically before they are introduced to the ion 
source and mass spectrometer. It differs from GC/MS in that 
the mobile phase is liquid, usually a mixture of water and 
organic solvents, instead of gas. 
 Most commonly, an electro spray ionization source is used in 
LC/MS. Other popular and commercially available LC/MS ion 
sources are atmospheric pressure chemical ionization and 
atmospheric pressure photo ionization. 
 There are also some newly developed ionization techniques 
like laser spray.
Applications 
Mass spectrometry has both qualitative and 
quantitative uses. 
Structure of elucidation; 
Using nitrogen rule, peak matching, fragmentation 
pattern of a compound and % abundance of isotopes, 
structure of elucidation of organic compounds can be 
done. 
Detection of impurities; 
Impurities present can be detected by the additional 
peaks, highest value of mass peaks then compound 
itself, & from the fragmentation pattern
MS is now in very common use in analytical laboratories that 
study physical, chemical, or biological properties of a great 
variety of compounds. 
As an analytical technique it possesses distinct 
advantages such as: 
Increased sensitivity over most other analytical techniques 
because the analyzer, as a mass-charge filter, reduces 
background interference 
Excellent specificity from characteristic fragmentation patterns 
to identify unknowns or confirm the presence of suspected 
compounds, Information about molecular weight.
Mass spectroscopy

Mass spectroscopy

  • 1.
    BY MADHUKAR 11GQ1R0028 Mass spectroscopy
  • 2.
    INTRODUCTION  Massor molecular weight of a compound can be found in several ways .one such technique is using mass spectrometer  It is an analytical chemistry technique that helps identify the amount and type of chemicals present in a sample by measuring mass-to-charge ratio and abundance of gas-phase ions
  • 3.
    Principle  Amass spectrometer generates multiple ions from the sample under investigation  This molecular ion undergoes fragmentation. Each primary product ion derived from the molecular ion, in turn, undergoes fragmentation, and so on.
  • 4.
     The ionsare separated in the mass spectrometer according to their mass-to-charge ratio, and are detected in proportion to their abundance. A mass spectrum of the molecule is thus produced.  It displays the result in the form of a plot of ion abundance versus mass-to-charge ratio
  • 6.
    Obtaining mass spectraconsist of 2 types;  Conversion of neutral molecule into a charged molecule, preferably to a positively charged molecule.  Separation of the positively charged fragments formed, based on their masses, by using electrical or magnetic field or both.
  • 7.
    Instrumentation The instrumentconsists of three major components: Ion Source: For producing gaseous ions from the substance being studied. Analyzer: For resolving the ions into their characteristics mass components according to their mass-to-charge ratio. Detector System: For detecting the ions and recording the relative abundance of each of the resolved ionic species.
  • 8.
    Components of aMass Spectrometer
  • 9.
     In addition,a sample introduction system is necessary to admit the samples to be studied to the ion source while maintaining the high vacuum requirements (~10-6 to 10-8 mm of mercury) of the technique; and a computer is required to control the instrument, acquire and manipulate data, and compare spectra to reference libraries
  • 11.
    With all theabove components, a mass spectrometer should always perform the following processes;  Separate these ions according to their mass-to-charge ratio in the mass analyzer.  Eventually, fragment the selected ions and analyze the fragments in a second analyzer.  Detect the ions emerging from the last analyzer and measure their abundance with the detector that converts the ions into electrical signals.  Process the signals from the detector that are transmitted to the computer and control the instrument using feedback.
  • 12.
    Chromatographic techniques combinedwith mass spectrometry  An important enhancement to the mass resolving and mass determining capabilities of mass spectrometry is using it in tandem with chromatographic separation techniques.
  • 13.
    Gas chromatography Acommon combination is gas chromatography-mass spectrometry (GC/MS or GC-MS). In this technique, a gas chromatograph is used to separate different compounds. This stream of separated compounds is fed online into the ion source, a metallic filament to which voltage is applied. This filament emits electrons which ionize the compounds.  The ions can then further fragment, yielding predictable patterns.  Intact ions and fragments pass into the mass spectrometer's analyzer and are eventually detected.
  • 15.
    Liquid chromatography Indianapolis Museum of Art conservation scientist performing liquid chromatography– mass spectrometry.
  • 16.
     Similar togas chromatography MS (GC/MS), liquid chromatography-mass spectrometry (LC/MS or LC-MS) separates compounds  chromatographically before they are introduced to the ion source and mass spectrometer. It differs from GC/MS in that the mobile phase is liquid, usually a mixture of water and organic solvents, instead of gas.  Most commonly, an electro spray ionization source is used in LC/MS. Other popular and commercially available LC/MS ion sources are atmospheric pressure chemical ionization and atmospheric pressure photo ionization.  There are also some newly developed ionization techniques like laser spray.
  • 18.
    Applications Mass spectrometryhas both qualitative and quantitative uses. Structure of elucidation; Using nitrogen rule, peak matching, fragmentation pattern of a compound and % abundance of isotopes, structure of elucidation of organic compounds can be done. Detection of impurities; Impurities present can be detected by the additional peaks, highest value of mass peaks then compound itself, & from the fragmentation pattern
  • 19.
    MS is nowin very common use in analytical laboratories that study physical, chemical, or biological properties of a great variety of compounds. As an analytical technique it possesses distinct advantages such as: Increased sensitivity over most other analytical techniques because the analyzer, as a mass-charge filter, reduces background interference Excellent specificity from characteristic fragmentation patterns to identify unknowns or confirm the presence of suspected compounds, Information about molecular weight.