Waters

Triple Quad Mass Spectrometer

Q1 Q2 Q3 Q0
RF only
Collision Cell
Scanning
RF/DC
Scanning
RF/DC
RF only
Q1 and Q3 are standard mass filter quadrupoles.
The can scan masses sequentially (e.g. 50 to 500 amu)
The can be used to select a single mass.
Q2 is an RF only quadrupole that is in a gas filled
chamber.
Q2 is the collision cell where mass fragmentation occurs.
Q2 does not filter ions. It accepts all ion sent to it by Q1
and passes all ions formed by collision to Q3 to be sorted.
vs. Tandem-in-Time
(Quadrupole Ion Trap)
(Triple Quadrupole)
Tandem-in-Space
triple
GC/triple
Triple quad modes of operation
Triple Quads
In scanning mode 99% ions lost between the rods.
Poorer full scan sensitivity
In SIM mode 100% of selected ion reaches detector.
Makes them highly sensitive and great for
quantitation!
Mass resolution typically limited to unit (+/- 0.2 amu)
Fragmentation is controlled by the energy ions have
when they enter the collision cell.
Higher energy >> greater fragmentation.
Hybrid Instruments
Typically in the same configuration as a
triple quadrupole instrument.
On the Qtrap Q3 is the hybrid quadrupole
dubbed a linear ion trap or LIT.
Q3 can function as a quadrupole OR an
LIT.
Q0 Q1 Q2 Q3
Applied Biosystems 3200 Qtrap System
LIT Scanning
Radial Trapping
Axial
Trapping
Auxiliary RF
Ramped.
Exit Lens
with Grid
Main RF
Ramped
Q2
simultaneously
Ramp EXB
Radial Trapping
Advantages of LIT vs. IT
Has a larger volume so it can be filled with more ions
before exhibiting space charge effects.
Ions are formed outside the trap, so it is not limited by
the 1/3 rule.
Can perform MS/MS/MS experiments by selecting an ion
and fragmenting it using the spillover collision gas. (1/3
rule applies here)
Modes of Operation
Triple Quads and Ion Traps
Full Scan (LC/MS)
MRM (Multiple Reaction Monitoring)
Product Ion Scan (PI)
Exclusively Triple Quad
Constant Neutral Loss
Precursor Ion Scan
Exclusively Ion Trap
MS
n
H
Y
B
R
I
D
S
Multiple Reaction Monitoring
(MRM)
Q1 Selects an [M+H]
+
Q2 fragments the selected ion.
Q3 monitors only one daughter ion
Q0 Q1 Q2 Q3
N
2
CAD Gas
Precursor ion
selection
Ion accumulation
Fragmentation
Exit lens
Steps MS2: 1 2 3 &4
MRM
Only the daughter ion reaches the detector.
Sensitivity of MRM is a function of how much of
the daughter ion is produced.
The parent ion fragmentation to daughter ion is
commonly referred to as a transition
Q0 Q1 Q2 Q3
N
2
CAD Gas
Precursor ion
selection
Ion accumulation
Fragmentation
Exit lens
Steps MS2: 1 2 3 &4
Example MRM Data
Many transitions can be stacked together in a method.
The instrument will monitor each pair for a short time.
MRM is analogous to SIM on a GC/MS only more
compound specific.
Oxycodone: (316.2241)
Parent : 316.2
Daughter : 241
Result of one MRM cycle of 130 drugs.
Product Ion Scanning
Q1 selects a parent ion.
Q2 fragments the selected ion
Q3 traps then scans out all fragment ions.
Q0 Q1 Q2 Q3
N
2
CAD Gas
linear ion trap
3x10
-5
Torr
Precursor ion
selection
Ion accumulation
Fragmentation
Exit lens
Steps MS2: 1 2 3 &4
Product Ion Scan
Selection of a single parent ion by Q1
allows separate product ion scans for
coeluting compounds to be easily
generated.
Provided they dont have the same mass
Q0 Q1 Q2 Q3
N
2
CAD Gas
linear ion trap
3x10
-5
Torr
Precursor ion
selection
Ion accumulation
Fragmentation
Exit lens
Steps MS2: 1 2 3 &4
Example EPI Data
Oxycodone (316.2) is selected by Q1.
Q2 fragments oxycodone
Q3 operating as an LIT traps all the
fragments, and the scans them out.
Enhanced means using the LIT.
Linking MRM and EPI
MRM is an excellent survey method.
Allows for stacking of many transitions
Relatively fast* cycle time
EPI is an excellent for qualitative identification
Parent ion linked fragmentation pattern
Many fragments that can be library matched.
An ideal qualitative method would use MRM to look for
drugs, and EPI to confirm them.
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