Escolar Documentos
Profissional Documentos
Cultura Documentos
Alex J. Roche
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MS Recap
EI / CI
ESI / APCI 2
Ionization Techniques
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Mass Spectrometer
• Mass Spectrometer is an instrument designed to separate
gas phase ions according to their m/z value.
LOW RES
LOW RES
and HRMS
HRMS
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Agilent G6140A
Triple Quad
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Mass Spectrum
Ion signal vs. m/z
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Masses ?
• When we say atomic mass and its sum to
give molecular weight, it raises the questions
of...
...decimal places ?
...isotopes ?
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MS or HRMS ?
• Regular MS says MW = 98, which gives many
possible formulae
C3H6N4 98.0594
C4H4NO2 98.0242
C4H6N2O 98.0480
C4H8N3 98.0719
C5H6O2 98.0368 Å gives us the exact formula
C5H8NO 98.0606
C5H10N2 98.0845
C7H14 98.1096
average Cl’s do
not exist in RL !
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A 30% [X+2] is characteristic of a Chlorine being present
Mass Analyzers
Magnetic Sector
Quadruople
Triple Quad
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Magnetic Sector
• The ions are bent according to their m/z
Heavier ions
Lighter ions
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Quad Operation
• Either SCAN mode with ramping of DC/AC voltages, giving a
range of mass detection.
or
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Triple Quad, QQQ, QqQ
• Nowadays triple quad instruments are more common
= MS.MS
= MS2
= tandem MS
= tandem in space MS 24
Things you can do with QQQ
More than just ‘better’ MS
Multi-dimensional MS
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(A) Full Scan
• Use it as a normal MS machine
→ Structural
Elucidation
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“Classic” MS2 Protocol
• Run full MS
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Quantification
• Quantification means a response from only your
compound.
• The industry / legal standard is (MRM) Multiple Reaction
Monitoring.
• Court of Law / Pharmaceutical lab – drugs of abuse /
steroid athlete testing.
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Quantification
• You need to already know your desired ion, and how it
fragments.
Ion Sources
Mass Analyzers
(Types of MS2 runs)
$227,952.53 = LC.QQQ.MM.ESI.APCI
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Thanks to the National Science Foundation
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