ltq xl linear ion trap mass spectrometer · linear ion trap mass spectrometer part of thermo fisher...
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More Structural Information with MSn
LTQ XL™
Linear Ion TrapMass Spectrometer
Part of Thermo Fisher Scientific
m a s s s p e c t r o m e t r y
SUPERIOR ION TRAP TECHNOLOGY
2
From the leader in Ion Trap Mass
Spectrometry, the LTQ XL Linear
Ion Trap delivers ultimate sensitivity
at breakthrough speed.
MetaboliteIdentification:
• Superior MSn spectral quality and full-scan acquisition
• Structural information on low level metabolites without knowingMRM transitions
• Data Dependent and Dynamic Exclusion™ acquisition for maximuminformation in complex samples
DiscoveryQuantitation:
Forensic and Clinical Analysis:
Proteomics:
• Excellent ion statistics for robust quantitation
• Optimum efficiency with Normalized Collision Energy™
• Simultaneous identification and quantitation for the regulatedlaboratory environment
• Outstanding robustness for reliable quantitation in complex matrices
• Simultaneous quantitation and confirmation in both positive andnegative ionization modes
• Ease of use for the production laboratory
• Maximum protein coverage resulting from superior cycle timesand sensitivity
• Automated MSn triggered Data Dependent™ neutral loss scan
• Flexibility of ionization modes, inlets, and chromatographic solutions
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With the Accela™ High Speed LC System,the LTQ XL is the perfect tool for highthroughout applications.
Using multiple dissolution techniques, includingPulsed-Q Dissociation (PQD) and Electron
Transfer Dissociation (ETD), the LTQ XLgenerates extensive structural information
for the most demanding proteomics samples.
The LTQ XL Linear Ion Trap–Technology You Can Trust
METABOLITE IDENTIFICATION
AND CONFIRMATION
Metabolic studies are performedboth in vivo and in vitro necessitatingthe analysis of target compounds incomplex matrices. These biologicalmatrices contain the parent drug,all of its metabolites in a wide rangeof concentrations, and additionalendogenous metabolic materials.Furthermore, it is not pos sible topredict, in advance, all of themetabolites for a potentially newdrug compound.
Intelligent precursor ion selectionAutomated Data Dependent MSn
acquisition gives you information onnot only the predicted metabolites(parent list), but also on the unpre-dicted metabolites. In addition,classes of metabolites can bedetected using the automated DataDependent Constant Neutral Loss(CNL) triggered MS3 feature. Dataanalysis can be facilitated usingMetWorks™ and Mass Frontier™ soft -ware that enhances the screeningand characterization of metabolitesin complex matrices.
MetaboliteIdentification
• Analog signal-triggeredData Dependent MSn
acquisitions
• Constant Neutral LossData Dependent MSn
acquisitions
• MetWorks software
• Mass Frontier software
Automatically find all the metabolites the first
time, even the ones that you didn’t predict...
RT: 0.00 - 4.00RT: 0.00 - 4.00100
90
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00.0 0.5 1.0 1.5 2.0 2.5 3.0 3.5
Rela
tive
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danc
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Time (min)
Reconstructed ion chromatograms for 13 identified drugsand metabolites in less than three minutes.
Simultaneous Metabolite Identificationand Quantitation for Metabolic Stability
Quantitation for metabolic stability
Qualitative and quantitative information in a single run
Data Dependent MSn metabolite identification
100806040200
100806040200
100806040200
195.22
146.00
91.07117.03
146.01
196.11
224.03252.08
263.29
196.07224.08
264.69
252.20
333.38 386.20 432.13463.51
Rela
tive
Abun
danc
e
252.30278.75
323.52398.32
423.40
463.23
465.27
466.26521.00
MS2 m/z 463
MS3 m/z 252
Full Scan MS
Trace using full-scan data points for quantitation
The LC/MSn raw data trace
O
OO
N
N
O
O N
Cl
O
N
C l
NNCH3
O
NO
N
CH3
CH3
OH
Cl
NCH3
O
O
CH3
O
O
N+
CH3
O
O
NCH3
Warfarin
Bifonazole
Ketoconazole
Loperamide
Nicardipine
Quan and ID(LC/MSn)
98%
83%
38%
17%
1%
HO
H3C
4
Increase inCoverage
CID with CIDand ETD and ETD
CID ETD Combined Combined
Ovalbumin 137 129 184 15%Albumin 239 248 345 18%
ELECTRON TRANSFER DISSOCIATION (ETD)
FOR PROTEOMICS AND BIOMARKER
APPLICATIONS
5
Available for the LTQ and LTQ XLmass spectrometers, ETD offersECD-like fragmentation in a linearion trap, producing abundant peptidefragmentation while preserving labile
PTMs, such as phosphorylation. ETD,combined with the high ion storagecapacity of Thermo Scientific linearion traps, creates a powerful new toolfor protein and peptide analysis.
ETD Makes the LTQ XLEven More Powerfulfor Proteomics
• Complementary with CID–Improves protein coverage
• Preserves labile PTMs,simplifying their analysis
• Automated CID and ETDin a single injection
ETD ion/ion chemistry. The LTQ XL ion trap isthe ideally suited device to exploit this technique.
200 400 600 800 1000 1200 1400m/z
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Rel
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ance
713.82
1427.45
1410.45
890.36
705.27
537.18
1268.36
1368.451004.36
159.09 1070.18357.18 684.36423.18242.18
527.27 1185.09900.27775.36428.27
674.27260.09
155.09630.27 797.45
C1
Z1C2
Z2
C3 Z3
C4 C6
Z4
Z5C7
Z6
C5
C8
Z7 Z8
C9
Z9
Z10
C11
Z11C10
ETD MS/MS spectrum of VIP 1-12 m/z 476.3 (3+) showing rich production of c and z ion series
40 fmol
100 fmol OVALBUMIN (P01012):
MGSIGAASMEFCFDVFKELKVHHANENIFYCPIAIMSALAMVYLGAKDSTRTQINKVVRFDKLPGFGDSIEAQCGTSVNVHSSLRDILNQITKPNDVYSFSLASRLYAEERYPILPEYLQCVKELYRGGLEPINFQTAADQARELINSWVESQTNGIIRNVLQPSSVDSQTAMVLVNAIVFKGLWEKAFKDEDTQAMPFRVTEQESKPVQMMYQIGLFRVASMASEKMKILELPFASGTMSMLVLLPDEVSGLEQLESIINFEKLTEWTSSNVMEERKIKVYLPRMKMEEKYNLTSVLMAMGITDVFSSSANLSGISSAESLKISQAVHAAHAEINEAGREVVGSAEAGVDAASVSEEFRADHPFLFCIKHIATNAVLFFGRCVSP
ALBUMIN (P02769):
MKWVTFISLLLLFSSAYSRGVFRRDTHKSEIAHRFKDLGEEQFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQDCCQAEDKGACLLPKIETMREKVLASSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA
Detected by CID or ETD or Both
Improved sequence coverage with ETD; complementary to other methods
Comparison of Detection Methods
6
MULTIPLE
IONIZATION MODES
A variety of ionization
techniques are available
on the LTQ XL that allow for
maximum flexibility in sample analysis.
Ion Max™ sourceESI, APCI, and APPI probes arebased on the revolutionary Ion Maxsource design. It imparts superiorperformance and features simple,tool-free switching of ESI and APCIprobes. Full probe adjustment inthe x, y, and z directions allowsoptimized positioning for maximumsensitivity and robustness in bothlow and high flow applications.The 60° angle dramatically improvesperformance by reducing chemicalnoise. Maintenance of API sources,as well as switching betweenvarious probes, is vent-free.Auto matic source recognitionadds to ease of use.
Nanospray sourceThe new Nanospray ion sourcefeatures easy coupling with lowdead volume and interchangeableprobes for static, dynamic, andpacked tip nanospray. The liquidjunction provides excellent spraystability even when spraying100% aqueous mobile phase.The versatile Nanospray sourceaccommodates uncoated andpacked tip needle designs tosupport low- and high-flowapplications.
SourceConfigurations for Every Need
• Electrospray ionization (ESI)
• Atmospheric pressurechemical ionization (APCI)
• Atmospheric pressurephotoionization (APPI)
• Electron transfer dissociation(ETD)
• Nanospray ionization (NSI)
Titanium skimmer forsuperior ruggedness
Vent free removal of ion transfer tube
Tool-free interchangeof probes
LTQ Orbitrap™
…Breakthrough TechnologyCombining patented Orbitrap tech-nology with the LTQ XL linear ion trap,the LTQ Orbitrap offers fast, sensitive,reliable detection and iden ti ficationof compounds in complex mixtures.Its outstanding mass accuracy, massresolution and reliable, high sensi -tivity MSn performance make it aclear alternative to existing hybridtime-of-flight systems.
LTQ FT Ultra™
…Ultimate PerformanceThe LTQ FT Ultra combines the mostadvanced Ion Trap and Fourier Trans -form Ion Cyclotron Resonance (FT-ICR)technologies into a single instrument,with unprecedented analytical powerand versatility. Ultra-high resolutionand sensitivity, coupled with subppm mass accuracy and accuracy,enable routine analysis of even themost complex samples. ECD andIRMPD are available for top downprotein analysis.
Accurate Mass on a ChromatographicTime Scale
• Robust and reliablehigh mass accuracy
• Simultaneous high massresolution, mass accuracy,and sensitivity
• Fast data acquisitionrate with ultra highmass resolution
7
A PLATFORM FOR HIGH RESOLUTION
AND HIGH MASS ACCURACY Linear Ion TrapFT-ICR
Base Peak Chromatogram
Extracted Ion Chromatogramm/z 386.25
RT: 4.85 - 8.83
5.0 5.5 6.0 6.5 7.0 7.5 8.0 8.5Time (min)
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7.55
5.79
6.45
6.00 7.396.84
7.895.34 7.11
8.708.488.105.515.24
7.55
7.897.17 8.10 8.658.326.946.616.346.125.905.735.244.90
NL: 6.16E7Base Peak F: FTMS + c ESI Full ms [180.00-1200.00] MS FT_FT_Busprione_In_Vitro_HCD_90V_03
NL: 6.16E7Base Peak m/z= 385.76-386.76 F: FTMS + c ESI Full ms [180.00-1200.00] MS
FT_FT_Busprione_In_Vitro_HCD_90V_03
384 385 386 387 388 389 390 391 392m/z
386.25522
387.25861
388.26172 391.28415386.25505
387.25799
388.26071
Experimental
Theoretical
0.44 ppm
1.60 ppm
2.60 ppm
The LTQ XL hybrid mass spectrometers have
established themselves as the new analytical
standard for research in Proteomics and
Drug Discovery.
Accurate mass determination of an in vitro buspirone sample analyzed on the LTQ Orbitrap
Tap our expertise throughout the life of your instrument. Thermo Scientific Services
extends its support throughout our worldwide network of highly trained and certified
engineers who are experts in laboratory technologies and applications. Put our team
of experts to work for you in a range of disciplines – from system installation, training
and technical support, to complete asset management and regulatory compliance
consulting. Improve your productivity and lower the cost of instrument ownership
through our product support services. Maximize uptime while eliminating the
uncontrollable cost of unplanned maintenance and repairs. When it’s time to
enhance your system, we also offer certified parts and a range of accessories
and consumables suited to your application.
To learn more about our products and comprehensive service offerings,
visit us at www.thermo.com.
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BR62208_E 08/16S
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