Mass spectrometer converts molecules to ions under vacuum so that they can be moved about and manipulated by external electric and magnetic fields.
These ions are then separated and determined. Separation is achieved on different trajectories of moving ions in electrical and/or magnetic fields.
*Electrospray Ionization (ESI)
*Matrix-Assisted Laser Desorption/Ionization (MALDI)
*Time-of-Flight (TOF) Mass Analyzer
Recent advances in the application of mass spectrometry in food-related analysis
*LC-MS coupling techniques
*HPLC-MS coupling techniques
*MALDI-TOF-MS
*ESI-MS
This slide discusses the principle, instrumentation, process, detectors, sample ,solvents used in mass spectroscopy and also its applications and limitations.
Quadrupole and Time of Flight Mass analysers.Gagangowda58
Description about important mass analysers Quadrupole and TOF: Principle, Construction and Working, Advantages and Disadvantages and their Applications.
Electron Spray Ionization (ESI) and its ApplicationsNisar Ali
In this slide ,You will get to learn Electron Spray Ionization (ESI) technique used in Mass Spectroscopy and its Various Application in Pharmaceutical Drug Analysis.
Mass spectrometer converts molecules to ions under vacuum so that they can be moved about and manipulated by external electric and magnetic fields.
These ions are then separated and determined. Separation is achieved on different trajectories of moving ions in electrical and/or magnetic fields.
*Electrospray Ionization (ESI)
*Matrix-Assisted Laser Desorption/Ionization (MALDI)
*Time-of-Flight (TOF) Mass Analyzer
Recent advances in the application of mass spectrometry in food-related analysis
*LC-MS coupling techniques
*HPLC-MS coupling techniques
*MALDI-TOF-MS
*ESI-MS
This slide discusses the principle, instrumentation, process, detectors, sample ,solvents used in mass spectroscopy and also its applications and limitations.
Quadrupole and Time of Flight Mass analysers.Gagangowda58
Description about important mass analysers Quadrupole and TOF: Principle, Construction and Working, Advantages and Disadvantages and their Applications.
Electron Spray Ionization (ESI) and its ApplicationsNisar Ali
In this slide ,You will get to learn Electron Spray Ionization (ESI) technique used in Mass Spectroscopy and its Various Application in Pharmaceutical Drug Analysis.
mass spectrometry, also called mass spectroscopy, analytic technique by which chemical substances are identified by the sorting of gaseous ions in electric and magnetic fields according to their mass-to-charge ratios.
mass spectrometry, also called mass spectroscopy, analytic technique by which chemical substances are identified by the sorting of gaseous ions in electric and magnetic fields according to their mass-to-charge ratios.
Analytical Spectroscopic systems
Mass Spectrometry
Atomic mass to charge ratio
Laser Raman
Spectroscopy
Molecular vibrational modes
Laser Induced
Breakdown
Spectroscopy
Atomic emission
Visible Reflectance
Spectroscopy
Reflected color
Localising Charged Particles by Electric and Magnetic Fields
the trapping of charged particles
Prepared By : Mohamed Fayed Mohamed Ali
Email : M10513fayed@gmail.com
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https://arxiv.org/abs/2306.08302
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Welcome to UiPath Test Automation using UiPath Test Suite series part 4. In this session, we will cover Test Manager overview along with SAP heatmap.
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2. Heatmap utilization for testing
3. Optimization of testing processes
4. Demo
Topics covered:
Execution from the test manager
Orchestrator execution result
Defect reporting
SAP heatmap example with demo
Speaker:
Deepak Rai, Automation Practice Lead, Boundaryless Group and UiPath MVP
2. Contents
History
Introduction
Principle
Mass spectrum
Components of MS
Sample introduction
Different Ionization
Technique
Different Mass
analyzers
Mass detectors
Applications
Summary
2
3. History
JJ Thomson built MS prototype to measure m/z
of electron, awarded Nobel Prize in 1906
MS concept first put into practice by Francis
Aston, a physicist working in Cambridge England
in 1919 Aston Awarded Nobel Prize in 1922
In 2002, john fenn & koichi tanaka – Nobel Prize
for development of electrospray and laser
desorption, ionization respectively
3
4. Introduction
Technique: Separate the ions according to
their mass-to-charge ratio (m/z)
Designed to measure mass of elements
Quantitative and qualitative analysis
Molecular structure determination
(organic and inorganic)
MS provides high sensitivity with fast
response time to probe chemically
complex particle 4
6. Principle
6
• Separates gas phase ionized atoms, molecules, and
fragments of molecules
• Separation is based on the difference in mass-to-
charge ratio (m/z)
• m = unified atomic mass units (u)
• z = charge on the ion (may be positive or negative)
• 1 dalton (Da) = 1 u = 1.665402 x 10-27 kg
7. • Analyte molecule can undergo electron
ionization
M + e- → M+ + 2e-
• M+ is the ionized analyte molecule called
molecular ion
• Radical cation is formed by the loss of one
electron
• Computer algorithms are used to deconvolute
m/z values of multiply
• Charged ions into the equivalent mass of singly
charged ion
• Permits easy determination of molecular weight
of analyte
7
8. • Different compounds can be uniquely
identified by their mass
CH3CH2OH
N
OH
HO
-CH2-
-CH2CH-NH2
COOH
HO
HO
Butorphanol L-dopa Ethanol
MW = 327.1 MW = 197.2 MW = 46.1
8
9. • A plot of relative abundance vs m/z
• The most abundant peak is known as the base
peak
• Spectrum shows fragmentation patterns
• The m/z values and the fragmentation pattern
are used to determine the molecular weight and
structure of organic compounds
• Provides the accurate mass of a given isotope
not the weighted average 9
The Mass Spectrum
11. Resolving Power
• The ability of a mass spectrometer to separate
ions of two different m/z values
• Resolving power = M/∆M
• M = mass of one singly charged ion
• ∆M = difference in mass between M and the
next m/z value
11
14. Sample input or introduction
14
1.By using probe
-By placing a sample on a probe, then insert
through vacuum lock into the ionization region. the
sample is then vaporized using any desorption
processes
2.By capillary infusion
-this delivers small quantites of sample to the
ionization chamber without disturbing the vaccum
- GC/LC
16. Different Ionization Methods
• Electro spray Ionization (ESI - Soft)
–peptides, proteins, up to 200,000 Daltons
• Matrix Assisted Laser Desorption (MALDI-Soft)
–peptides, proteins, DNA, up to 500,000 Daltons
• Fast Atom Bombardment (FAB – Semi-hard)
–peptides, sugars, up to 6000 Daltons
• Electron Impact (EI - Hard method)
–small molecules, 1-1000 Daltons, structure
16
17. Electron Impact (EI)
• Commonly used for analysis of organic samples
• Electrons are emitted from a heated tungsten
filament cathode
• Electrons are accelerated towards the anode
with a potential of about 70V
• Suitable for gas chromatography
• Interaction with the high energy electrons causes
ionization of sample molecules and
fragmentation into smaller ions
17
19. • Can analyse both +ve and –ve ions (but not
simultaneously)
• Can be connected with LC
• Solutions forced through a needle which is kept
at a high potential (3.5kV)
• Very small droplets are created & they are
charged on their surfaces
• Ions get vaporize in vacuum
• Now the ion is led into the mass anlyzer
• Used to estimate shotgun lipidomics 19
Electrospray Ionization
21. Matrix Assisted Laser Desorption
Ionization (MALDI)
+
+
+
+
-
-
-
+
+
+
+
-
-
--+
+
Analyte
Matrix
Laser
+
+
+
• Absorption of UV radiation by
chromophoric matrix and
ionization of matrix
• Dissociation of matrix, phase
change to super-compressed gas,
charge transfer to analyte
molecule
• Expansion of matrix at
supersonic velocity, analyte
trapped in expanding matrix
plume (explosion/”popping”)
+
+
+ 21
22. 22
MALDI
• Matrix disperses large amounts of energy
absorbed by the laser
• Minimizes fragmentation of the molecule
• Permits analysis of molecular weight over
10,000 Da
• Used for study of polymers, proteins,
peptides
24. FAB
• Fast atom bombardment
• It produces ions when high velocity beam of
atoms impacts the surface of a nonvolatile liquid
(usually glycerol)
• Protonization occurs when analytes on the
surface of vaporized droplets are transferred to
gas state
24
26. Chemical ionization
• Proton is transferred to or abstracted from a gas
phase analyte by a reagent molecule
• Typical gas reagents are methane, ammonia
isobutane and water
• Source pressure increased to 0.1 torr
• An electron beam ionizes reagent gas and
produces reactive species
• Little fragmentation occurs
• Negative ion electron capture CI for
quantification of drugs 26
27. Atmospheric Pressure Chemical
Ionization (APCI)
• Chemical ionization in an atmospheric pressure
electric discharge is called atmospheric pressure
chemical ionization.
• Modified version of ESI is the Ion Spray Source
• Used for mixtures of nonvolatile high molecular
weight compounds 27
29. Different Mass Analyzers
• Quadrupole Analyzer (Q)
– Low (1 amu) resolution, fast, cheap
• Magnetic Sector Analyzer (MSA)
– High resolution, exact mass, original MA
• Time-of-Flight Analyzer (TOF)
– No upper m/z limit, high throughput
• Ion Trap Mass Analyzer (QSTAR)
– Good resolution, all-in-one mass analyzer
• Ion Cyclotron Resonance (FT-ICR)
– Highest resolution, exact mass, costly
29
30. Quadrupole Mass Analyzer
• A quadrupole mass filter consists of four parallel
metal rods with different charges
• Two opposite rods have an applied (+) potential
and the other two rods have a (– )potential
• For given dc and ac voltages, only ions of a
certain mass-to-charge ratio pass through the
quadrupole filter and all other ions are thrown
out of their original path
• m/z range is 1 – 1000 Da
30
32. Magnetic Sector Analyzer
• Gas phase molecules are ionized by a beam of
high energy electrons
• Electrons may be ejected from molecules
(ionization) or bonds in molecules may rapture
(fragmentation)
• Ions are then accelerated in a field (sector) at a
voltage V
• Sector can have any apex angle (60o and 90o are
common)
• Ions with small masses must travel at a higher
velocity than ions with larger masses
32
34. Time Of FlightAnalyzer (TOF)
• Non Scanning technique where a full spectrum is
obtained as a snapshot
• Principle : A lighter ion travels faster than a
heavier ion provided both have the same kinetic
energy
• DRS operates at a 1 nanosecond scale and
produces accurate mass measurements with low
ppm accuracy
• TOF is inherently a pulsed technique
• Often combined with MALDI
34
36. MS – MS (TANDEM MS)INSTRUMENTS
• Employs two or more stages of mass analyzers
• Example is two quadrupoles coupled in series
• First analyzer selects ion (precursor ion) and
second analyzer selects the fragments of the
precursor ion
• Used to obtain more information about the
structure of fragment ions
• Fragment ions may be dissociated into lighter
fragment ions or converted into heavier ions by
reaction with neutral molecule 36
37. Ion Trap
• A device in which gaseous ions are formed
and/or stored for periods of time
Two commercial types
• Quadrupole Ion Trap (QIT)
&
• Ion-Cyclotron Resonance Trap (ICR)
37
38. • Quadrupole Ion Trap (QIT)
-Also called Paul Ion Trap
- Uses a quadrupole field to separate ions
-A3D field is created using a ring-shaped electrode
between two end cap electrodes
-Afixed frequency RF voltage is applied to the ring
electrode
- The end cap electrodes are either grounded or
under
RF or DC voltage
38
40. Two types of ion detectors
A) Faraday collector - long life, stable, for signals > 2-3e6 cps
B) Electron multiplier - limited life, linearity issues, high-precision,
signals < 2e6 cps
40
41. 41
Faraday Cup
- A metal or carbon cup serves to capture ions and
store the charge
- Cup shape decreases loss of electrons
- Least expensive detector for ions
- Has long response time
42. Clinical Applications
• GC – MS :
Pharmaceuticals :
o Separation and identification of degradation
products
o Molecular weight of drugs
o Analysis of resins fats and waxes
Agriculture Industry :
o Identification of agrochemicals
o Quantitative determination , Rapid Screening and
conformational analysis of pesticides in food
samples
42
43. Clinical Applications GC MS
Food Industry :
oAnalysis of pesticides , residual solvents , separation
and identification of carbohydrates , lipids, proteins ,
colourants and preservatives
Analyze dairy products for ketones , aldehydes ,fatty
acids and milk sugars
Clinical Toxicology :
oDrug Screening – caffeine , codine , methadone ,
oIdentification and confirmation of Underivatized drug 43
44. Clinical Applications GC MS
Textiles :
oTo detect and estimate banned amines in dyes on
garments
Security Check :
oTo detect explosives in airport baggages
Sports :
oDoping control Agency – Detection of anabolic
steroids like ethylstrenol , methanedienone , methyl
testosterone
44
45. Astrochemistry :
oTwo GC-MS were sent to mars as part of Viking
program
oOne GCMS is positioned in Titan saturns largest
moon
oTo analyse Gerasimenko comet in 2014
45
GC-MS
46. Clinical Applications LC MS
• LC – MS : (More difficult to interface than GC MS)
Medical Applications :
• Confirmation of inborn errors of metabolism
• Carnitine / Acyl Carnitine and amino acid analysis
Pharmaceutical Applications :
• Rapid chromatography of benzodiazepines
• Identification of bile acid metabolite
Biochemical Applications :
• Rapid protein identification using capillary LC/MS/MS
and database searching 46
47. Clinical Applications LC MS
Clinical Applications:
• High-sensitivity detection of trimipramine and
thioridazine
Food Applications:
• Identification of aflatoxins in food
• Determination of vitamin D3 in poultry feed
supplement
In virology
• Post translational modifications of viral proteins 47
48. Environmental Applications:
• Detection of phenylurea herbicides
• Detection of low levels of carbaryl in food
Forensic Applications:
• illegal substances, toxic agents,explosives, Drugs
of abuse
48
Clinical Applications LC MS
49. Mass spectrometry is a very powerful method to
analyse the structure of organic compounds, but suffers
from following limitations :
• Compounds cannot be characterised without clean samples
• This technique does not have the ability to provide sensitive
and selective analysis of complex mixture
• For big molecules like peptides spectra are very complex and
very difficult to interpret
• Expensive , requires highly trained technicians
49
50. Summary
• Separating the ions according to their mass-to-
charge ratio (m/z)
• The m/z values and the fragmentation pattern
are used to determine the molecular weight and
structure of organic compounds
• Major components-ionisation source, a mass
analyser & an ion detector
• MS gives us structure of the of the compound as
well as the molecular weight
50
51. References
• Tietz - Fundamentals of clinical biochemistry
• Principles and techniques of biochemistry and
Molecular biology - Wilson and Walker
• Principles and techniques of biophysical
chemistry – Upadhyay
• Stryer – biochemistry 5th edition
• Web References and Images
51