TraceFinder TM Software Nicholas Molinaro Senior Applications Scientist Jamie Humphries Sr Product Manager Kevin McHale LCMS Applications Leader Charles Yang Marketing Program Manager ID: 916068
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Slide1
How to Best Utilize Your QE for Targeted Quantitation Using
TraceFinderTM Software
Nicholas Molinaro - Senior Applications ScientistJamie Humphries – Sr. Product ManagerKevin McHale - LC/MS Applications LeaderCharles Yang - Marketing Program Manager Environmental and Food Safety
Slide2Why HRAM Quantification ?
Quantification with triple quad is gold standardVery sensitive
Good selectivityGood statisticsFast
…but also
Time consuming method development
limitations
bad-fragmenting compounds
extensively fragmenting compoundsVery small compoundsVery complex matrices
SRM
Signal
Slide3HCD collision cell
HCD/C-trap combo cell
Analogous to LTQ Orbitrap Velos
Quadrupole mass filter
Quadrupole: 4 mm, hyperbolic rods (Quantum Access)
New quad electronics
S-lens
Stacked Ring Ion Guide
Analogous to LTQ Velos
Shorter inject times for MS/MS and SIM
Q Exactive: Hardware
& Firmware Innovations
Spectrum Multiplexing
Detect several (up to
10)
C-trap fillings in one FT scan
Enhanced FT (eFT)
1.8 times improved resolution
Or
1.8 faster acquisition speed
Slide4Q-Exactive Experiments
Predefined Experiments:
Full MS/SIM: Full MS or Sim dependent on isolation window ( 20 amu) Full MS / AIF: Full MS with subsequent All-Ion-FragmentationFull MS / dd-MS2: Top N Targeted SIM
: Targeted SIM of precursors defined in the inclusion list
Targeted MS2
: Targeted MS2 of precursors defined in the inclusion list
Targeted SIM / dd-MS2: Targeted SIM of precursors defined in the inclusion list, The same list is used for the dd-Scan Event Full MS / AIF / NL dd MS2: Full MS with subsequent All-Ion-Fragmentation. If a neutral loss is found, trigger MS2 on the precursor
Templates can be combined with each other
Slide5Flexibility of the Q-Exactive and
TraceFinder Software
Q-Exactive
Full-scan MS
SIM
MS/MS
Universal Screening
Targeted Quantification
No prior knowledge needed
Observe “everything”
Confirmation w/ DD MS/MS
Confirmation by isotopic pattern
Requires user input
“Blind” to unknowns
Sensitivity rivaling triple quads
Slide6QE Full Scan Analysis
How do I determine the Resolution to use?How do I determine the AGC Target value?
How do I determine the Max Fill Time?How can I improve my sensitivity?
Slide7Specificity = Resolution + Mass Accuracy
Resolution:
10k, 30k, 50k, 100k
279.12
279.14
279.16
279.18
279.20
m/z
0
10
20
30
40
50
60
70
80
90
100
Relative Abundance
Ethinyl-Estradiol, 279.17434
Butyl-Phthalate, 279.15909
(ubiquitous background ion)
54 ppm
apart
Slide8100 ppb Ethinyl-Estradiol
– 100k vs 10 K Res
Ethinyl-Estradiol
17
18
19
Time (min)
0
50
100
0
50
100
Relative Abundance
16.68
17.81
18.07
18.94
17.59
19.04
Res = 10,000
Phthalate
E Estradiol
17
18
19
Time (min)
0
50
100
0
50
100
Relative Abundance
18.03
19.32
17.22
18.17
16.40
18.76
17.73
Res = 100,000
Phthalate
E Estradiol
Both Resolution and Mass
Accuracy are
Essential
Slide9Resolution vs. Data points across UHPLC peak
RT:
1.80 - 2.04
1.80
1.85
1.90
1.95
2.00
Time (min)
0
10
20
30
40
50
60
70
80
90
100
Relative Abundance
RT: 1.89
Width (FWHM) =
0.9
sec
base = ~
2.8
sec
Speed 12.5 Hz
35 data points@
17,500
RT:
1.72 - 1.96
1.75
1.80
1.85
1.90
1.95
Time (min)
0
10
20
30
40
50
60
70
80
90
100
Relative Abundance
Width (FWHM) =
1
sec
Width (base) = ~
3
sec
Speed = 3.6 Hz
11 data points@ 70,000
Peakwidth (FWHM)
= 0.8
sec
Peakwidth (base) = ~
2.8
sec
Scans/peak = 21
Scan speed = 7.5 Hz
RT:
1.72 - 1.96
1.75
1.80
1.85
1.90
1.95
Time (min)
0
10
20
30
40
50
60
70
80
90
100
Relative Abundance
21 data
points@
35,000
RT:
3.24 - 3.48
3.25
3.30
3.35
3.40
3.45
Time (min)
0
10
20
30
40
50
60
70
80
90
100
Relative Abundance
3.37
10 data
points
@ 140,000
Width (FWHM) =
2.2
sec
Width (base) = ~
6
sec
Speed = 1.6 Hz
HPLC
Slide10The Concept of Automatic Gain Control (AGC)
Introduced on Ion Traps to accurately control the amount of ionsPrevents “overfilling” Prescan prior to analytical scan Predictive AGC
Scan-to-scanLinear Response
Mass Accuracy
Effects of non-AGC
SIM 10 Da window
Slide11Fast Acquisition – Parallel Filling and Detection
Scan speed does not change until fill time reaches 50 ms
Up to 65% of the total time could be spent meanwhile on accumulating ions!
Resolving power setting: 17,500 (fastest rate)
At higher R, ion fill times and duty cycles increase further!
Orbitrap
acquisition
Inject to C-trap
Orbitrap
acquisition
Inject to C-trap
Orbitrap
acquisition
Inject to C-trap
AGC
Slide12QE Transient Times for Various Resolution Settings
Resolving Power
at m/z 200 Approximate Scan Speed (Hz) Approximate Scan Time (ms) Transient length (ms) Suggested Max Fill Time
17,500
13
77
64
5035,000714512811070,0003
290
256
240
140,000
1.5
580512500
Use the approximate scan time to select the best resolution for the analysis based on obtaining 10 scans across your chromatographic peak.
Balance the max fill time with the transient scan time for the resolution to make the most effective use of the parallel fill and detect capabilities of the
QE.
Slide13Determining Resolution in a Polarity Switching Experiment
11 second wide HPLC peakThe QE requires approximately 250ms to switch polarity and requires 256 ms for the transient scan time at a resolution of 70,000 for a total cycle time of approximately 1.1 second.
6 second wide HPLC peak The QE requires approximately 250ms to switch polarity and requires 64 ms for the transient scan time at a resolution of 17,500 for a total cycle time of approximately 660 ms.
Orbitrap acquisition
70000 resolution 256 ms
Inject to C-trap
Polarity Switch 250 ms
Orbitrap
17.K Res
64 ms
Inject to C-trap
Orbitrap acquisition
70000 resolution 256 ms
Inject to C-trap
Polarity Switch 250 ms
Orbitrap
17.K Res
64 ms
Inject to C-trap
Polarity Switch 250 ms
Polarity Switch 250 ms
Slide14TIC
[Gly+H]
+
[Gly-H]
-
TIC
[Glu+H]
+
[Glu-H]
-
Alternating Polarity Switching – Cycle time 1.1 sec
R = 70k
Slide15Full Scan Quantitation on the QE
How do I determine the resolution to use?Select highest resolution you can based on chromatographic peak width, targeting 10 scans across the chromatographic peak
How do I determine the AGC Target value?To avoid space charging effects possible with overfilling and maximize your dynamic range, use a Target value of 1 E6How do I determine the max fill time?Balance the max fill time with the transient scan time for the resolution to make the most effective use of the parallel fill and detect capabilities of the QEIn full scan analysis, often AGC target value is the limiter
How can I improve my sensitivity?
Limit mass range
Consider T-SIM
Slide16Targeted SIM
How do I determine the resolution to use?How do I determine the AGC Target value?
How do I determine the max fill time?When can I use Multiplexing and how?How can I improve my sensitivity?
Slide17Why not a RF only mode? – What do we gain?
A. Kaufmann*, M. Widmer and K. Maden (Exactive)
Rapid Commun. Mass Spectrom. 2010; 24: 2162–2170Preventing suppression effects in protein containing samples by keeping out the protein/peptide load from the C-Trap
Exclude abundant matrix peaks from the C-Trap
Exclude solvent cluster (low mass) from entering C-Trap
Steplessly variable isolation keeps out background matrix from the C-Trap, responsible for suppression and sensitivity drops
Look exclusively here!
Suppression in Exactive coming from huge interference . Application was steroid/corticoid screening (screening region 350-480)
LCH (Paris)
Slide18Q Exactive Quadrupole
Proven isolation performance
Quantum Access rods with new electronicsMass filteringIsolation widths from 0.4 amu to full MS No “RF only“ modeOnly ions of interest (inside the isolation window) enter the C-Trap and OrbitapExpected transmission losses for narrowing the window
Slide19Transmission Curves for QE
Quadrupole Mass Filter0.4
amuIT=15 msNL=1e81 amuIT=7.8 ms
NL=9e7
2
amu
IT=5.7 ms
NL=8e73 amu
IT=3.6 ms
NL=8.5e7
5
amu
IT=2.7 ms
NL=8.6e7
7
amu
IT=2.4 ms
NL=8.9e7
100 amu
IT=1.2 msNL=9e7
#56
500
505
510
515
520
525
530
535
540
545
550
m/z
0
10
20
30
40
50
60
70
80
90
100
Relative Abundance
524.2642
#111
500
505
510
515
520
525
530
535
540
545
550
m/z
0
10
20
30
40
50
60
70
80
90
100
Relative Abundance
524.2646
#132
500
505
510
515
520
525
530
535
540
545
550
m/z
0
10
20
30
40
50
60
70
80
90
100
Relative Abundance
524.2645
525.2680
#158
500
505
510
515
520
525
530
535
540
545
550
m/z
0
10
20
30
40
50
60
70
80
90
100
Relative Abundance
524.2646
525.2681
#253
500
505
510
515
520
525
530
535
540
545
550
m/z
0
10
20
30
40
50
60
70
80
90
100
Relative Abundance
524.2648
525.2682
526.2670
#329
500
505
510
515
520
525
530
535
540
545
550
m/z
0
10
20
30
40
50
60
70
80
90
100
Relative Abundance
524.2648
525.2683
526.2669
527.2679
522.2536
#603
500
505
510
515
520
525
530
535
540
545
550
m/z
0
10
20
30
40
50
60
70
80
90
100
Relative Abundance
524.2651
525.2686
546.2480
526.2670
540.2610
547.2505
527.2664
537.8782
541.2628
548.2505
519.1398
522.2527
533.8854
506.4212
509.2411
Ion current in a peak (NL) is sustained at the level of a perfectly transmitting (no resolving DC)
quadrupole
for all filter windows
Ion fill time is adjusted to account for transmission of
quadrupole
and appearance of additional mass peaks in the window.
Slide20What Do We Gain by Selected Ion Monitoring (SIM) over
Full Scan MS For Quan in the Q Exactive
?
0
20
40
60
80
100
0
20
40
60
80
100
195.0876
N=248402.81
195.0877
N=20741.58
NL: 1.94E8
[150.00-2000.00]
NL: 1.12E8
[190.10-200.10]
Full MS
SIM (
10 amu)
S/N =
745
IT=
0.245
ms
For the same target:
S/N
=
5400
IT=
1.321
ms
Lowest signal
250330
Lowest signal
28240
In Full MS, total charge capacity is shared between multiple ions of different intensities
Signal-to-noise can become dependent on the ratio of compound of interest to other ions
Mass selection of target ion(s) reduces this dependency by elimination of “noise”
On Q-
Exactive
, SIM could become Multiple Ion Monitoring without any additional overhead!
Gain in sensitivity (7x)
Slide21Alprazolam
Y = -3135.8+552.216*X R^2 = 0.9982 W: 1/X
0
2000
4000
6000
8000
10000
fg/uL
0
1000000
2000000
3000000
4000000
5000000
6000000
Area
Alprazolam
Full Scan and SIM Experiments
50
ppt
– 10 ppb
250
fg
oc
- 50 pg
oc
Alprazolam
Y = 6366.31+514.015*X R^2 = 0.9967 W: 1/X
0
2000
4000
6000
8000
10000
fg/uL
0
1000000
2000000
3000000
4000000
5000000
Area
10
ppt
– 10 ppb
50
fg
oc
- 50 pg
oc
Zoom 10
ppt
- 100ppt
0
20
40
60
80
100
120
fg/uL
0
50000
100000
Area
0
50
100
150
200
250
300
fg/uL
0
100000
200000
Area
Zoom
50
ppt
- 100ppt
SIM
Full Scan
Slide22Diazepam in Urine, Q Exactive, Full Scan MS, m/z 100-1000
0.0625
n
g
/mL –
250
ng/mL
0.0625
n
g
/mL – 0.25
n
g
/mL
Slide23Diazepam in Urine, Q Exactive, SIM, Quad Isolation = 1.5 Da
0.0125
n
g
/mL – 250
ng
/mL
0.0125
n
g
/mL – 0.125
n
g
/mL
Factor of 5 improvement in SIM
over full scan MS
Over 4 orders dynamic range
Slide24Orbitrap acquisition
C-
trap
filling
C-
trap
filling
C-trapfilling
Orbitrap acquisition
C-
trap
filling
C-
trap
filling
C-
trap
filling
Orbitrap acquisition
C-
trap
filling
Orbitrap acquisition
C-
trap
filling
Orbitrap acquisition
C-
trap
filling
Orbitrap acquisition
C-
trap
filling
C-
trap
filling
C-
trap
filling
SIM & SIM Multiplexing
SIM of 3 ions
Multiplexed SIM of 3 ions
Overall cycletime can be too long for a series of SIM ions
Filling of multiple ions into C-Trap ..... within one scan cycle
Up to 10 ions can be used for multiplexing
Multiplexing Maximizes the Duty Cycle of the Q-
Exactive
Slide25“single”SIM
2plex SIM
4plex SIM
4.1
4.2
4.3
4.4
4.5
4.6
Time (min)
0
50
100
0
50
100
Relative Abundance
0
50
100
RT: 4.30
RT: 4.36
RT: 4.33
NL: 8.19E4
NL: 9.43E4
Impact on data points over the chromatographic peak – 4 compounds monitored
NL: 8.87E4
~1Hz
13 data points
~2Hz
27 data points
~4Hz
56 data points
337.21565-
337.21903
337.21561-
337.21899
337.21561-
337.21899
Multiplexing - What do
We Gain
?
Slide26Multiplexing – How Can We Use I
t?
1s
64ms detection
4plex injection
Collecting 4 isolation windows
>12 Hz Acquisition
Rate (RES= 17.500)
>48 Precursors / second
1
5
9
13
17
21
25
29
33
37
41
45
2
6
10
14
18
22
26
30
34
38
42
46
3
7
11
15
19
23
27
31
35
39
43
47
4
8
12
16
20
24
28
32
36
40
44
48
Precursor No.
*
* Overhead time
Monitoring 48 compounds in 4-plex mode within 1 sec
Slide27Inclusion List and Timed Targeted SIM
Start Time and
End Time for each Isolation MassNote: Charge state and Collision Energy for T-MS2 only
Slide28Timed Targeted SIM Viewer Example Graph
Slide29QE Transient Times for Various Resolution Settings
Resolving Power
at m/z 200 Approximate Scan Speed (Hz) Approximate Scan Time (ms) Transient length (ms) Suggested Max Fill Time
17,500
13
77
64
5035,000714512811070,0003
290
256
240
140,000
1.5
580512500
We should divide the suggested max fill time by the Multiplexing number to determine the max fill time for each fill.
Slide30Full MS
vs. SIM in Metabolomics (identical sample)
SIM
NAD+
NADH is observed when using multiplexing SIM
Full-scan
NADH
NADP+
NADPH
Diphosphoglycerate
NAD+
NADH
NADP+
NADPH
Diphosphoglycerate
!
Slide31T-SIM on the Q Exactive
How do I determine the resolution to use?
Select highest resolution you can based on chromatographic peak width, targeting 10 scans across the chromatographic peakDivide the peak width at base by 10 times the numbers of
orbitrap
scans needed to run the entire inclusion list to estimate the maximum cycle time when multiplexing and base this on the maximum number of active scans for Timed Targeted SIM
How do I determine the AGC Target value?
To avoid space charging effects possible with overfilling and maximize dynamic range use a Target value of 2 E5
Often target values are not reached and max fill till is limiting parameter in T- SIM
How do I determine the max fill time?
Balance the max fill time with the transient scan time for the resolution to make the most effective use of the parallel fill and detect capabilities of the QE
When Multiplexing this max fill time needs to be divided by the number of fills so the sum of the fill times do not exceed the transient scan time
How can I improve my sensitivity?
Adjust Quad isolation width
Consider T-MS2 if you have selectivity issues
Slide32Targeted MS2
When Should I Use Targeted MS2?WilI
Targeted MS2 Improve my Sensitivity?
Slide33Parallel Reaction Monitoring (PRM) - Targeted MS2
Quadrupole-equipped HR/AM instrumentsHR/AM analyzer permits parallel detection of all target product ions in one, concerted high resolution mass analysis
Serial
monitoring
Parallel
monitoring
Parallel reaction monitoring for high resolution and high mass accuracy quantitative, targeted proteomics.
Peterson et al., MCP 2012,
O112.020131
Slide34HRAM: Sensitivity Gain Through
SIM Resolution and MS2
SDLAVPSELALLK
m/z
682.40
Urine digest
matrix
RP 70,000 @ m/z 200
RP 140,000 @
m/z
200
Targeted Proteomic Quantification on Quadrupole‐Orbitrap Mass Spectrometer
Gallien
et al., MCP 2012, O112.019802
PRM (T-MS2) provide the same sensitivity as the T-SIM analysis with more Selectivity
Slide35Low Attomole
LOD, 4 Orders of Linear Dynamic Range
ProteinPeptide
LOQ (amole)
LOD
(amole)
PTGDS
GPGEDFR25
8
PTGS2
QFQYQNR
25
8
PTGS1
LVLTVR
10
3
HPGDS
STLPFGK
25
8
PTGES
VAHTVAYLGK3010PTGIS
FLNPDGSEK
50
17
TBXA1SVADSVLFLR
100
33
ALOX15
YTLEINVR
250
83
ALOX12
LWEIIAR
500
167
LTCS4
YFQGYAR
10
3
Heavy-labeled peptides of
eicosanoid
pathway enzymes in 250
ng
CSF digest.
Data courtesy Y. Xuan, M.
Scigelova
,
ThermoFisher
Scientific
t-MS
2
Slide360
50
100
150
200
250
300
350
400
450
500
550
0.0
0.2
0.4
0.6
0.8
1.0
1.2
1.4
1.6
1.8
2.0
2.2
2.4
2.6
2.8
3.0
3.2
3.4
3.6
3.8
4.0
4.2
4.4
4.6
4.8
Area Ratio
Q Exactive: High Sensitivity Quantitation
Testosterone 10pg/
mL
in Serum
Standard
pg/
mL
% Difference
10
0.97
20
7.45
50
-5.78
100
-0.29
250
-5.35
500
2.99
Testosterone
10 pg/
mL
in Serum
Instrumentation
Concentration (pg/
mL
)
ASMS 2011 WP077 :Evaluation of Quantitative Performance for Testosterone Analysis in Plasma on a
Novel
Quadrupole-Orbitrap
Mass Spectrometer Xiang He, Marta
Kozak
; Thermo Fisher Scientific
Conditions
D3 Internal STD
MTBE Extraction
Evap
/recon
Rev Phase UHPLC
APCI
2 AMU Isolation
HCD Fragmentation
Scan 50-300
Resolution 70000
3 PPM Window
Slide37When To Use Which Method?
PRM
Full MS
SIM
Sensitivity
Selectivity
Slide38Targeted-MS2 (PRM) on the QE
How do I determine the resolution,
AGC Target Vale and Maximum fill time to use?Resolution, AGC Target Values and max fill time are set much as we do for T-SIM.
When Should I use Targeted MS2
?
Consider T-MS2 if you have selectivity issues
Will Targeted MS2 improve my sensitivity
?
Targeted MS2 will show greatly improved sensitivity when you have selectivity issues
Targeted MS2 can be as sensitive as T-SIM
How can I improve my sensitivity?
Adjust Quad isolation width
The gold standard for sensitivity may still be the TSQ, but the QE is far more selective and can rival the TSQ in most cases
Slide39RT: 0.77
A: 241
RT: 0.77
A: 254
RT: 0.77
A: 259
Active Ion Management
:
Precision design of all electric fields, optimized in concert, to produce maximum signal and prevent contamination.
TSQ
Quantiva MS—Powered by AIM Technology
Active collision cell (Q2)
Electrodynamic ion funnel
Ion beam guide with
neutral blocker
HyperQuad quadrupole mass filter
with Asymmetric RF drive
Dual Mode
Discrete Dynode
Detector
High Capacity
Ion Transfer Tube
70ag
Verapamil in plasma, on column
92K Molecules
Verapamil in
plasma, on column
Slide40TraceFinderTM Software for a
Unified Quan / Screen Workflow
Routine Quantitation and Targeted Screening Made Simple, Fast and Productive
Slide41What Can TraceFinder Do for You?
Streamlined Quan/Qual workflow to find target contaminants and compounds quickly with multiple forms of verification including:
Confirming ionsSpectra ComparisonLevels of AbundanceSupports workflows on all Thermo Fisher Scientific platforms ExactiveQ ExactiveExactive Plus
LTQ-
Orbitrap
Family
TSQ Series
MSQAnalog Detectors Food / Environmental Clinical Research Forensic / Toxicology
General Quan
Slide42TraceFinderTM Software
Simple, Fast and Productive Quantitative Workflow
Slide43Fast Easy Batch Creation
Easy Creation of Batch Files
1.Select Method
2.Select Template
3.Select Batch Folder
Slide44Fast
Easy
Batch CreationSAMPLE
L I S T
4. Modify The Sample List
Slide45Fast Easy Data Acquisition
6. Submit
6 Simple Steps to Fast Easy Data Acquisition !
5. Turn on all devices and ensure they are ready
Slide46Key Feature - Intelligent Sequencing
Intelligent Sequencing Allows for use of Flagging on Sample Types to automatically perform batch sequence alterations on the fly while Acquiring Data
Slide47Real Time Viewer – Analysis in Progress
Easy Real Time Monitoring of Multiplexed Analysis
VIEW DEVICE
AND
QUEUE STATUS
CHROMATOGRAM
Slide48Analysis Mode – Process Data
Batch Data can be Processed and Reports Generated
Slide49Analysis Mode - Quantitation Data Review
Data can be Viewed by Sample or by Compound
Slide50Key Feature – Data Review - Multi Peak Review
Adjustable
C
hromatogram
S
ize
View data across the sample or batch of samples
Slide51Key Features – Data Review - Comparative View
Comparative View of Grouped Samples with RT and Intensity Threshold Markers
Slide52Key Feature - Multiple
Dockable
Panes
Data Grid Multiple Peak Display Compound Detail Review
Use of three monitors and
dockable
panes for more landscape for data review
Slide53Key Feature – Dozens of Standard Reports
Example of Calibration and QC Report
Q C
REPORT
C A L
REPORT
Custom Reports are also available
Slide54TraceFinderTM Software
Simple, Fast and Productive Targeted Screening Workflow
Slide55Targeted
Screening
Method Setup
Identify and Confirm by Retention Time
, Fragment
Ions,
Isotopic Pattern and Library Search
Slide56Targeted Screening
Workflow
Isotope Pattern Match
Possible Contaminant
Orbitrap Data
Library and Fragment Match
AIF Scan
Compound m/z and RT
Identification
Confirmed !
Acetamiprid
Target List
m/z 223.0745
Full Scan
Identification and confirmation using m/z, RT, isotope pattern
Full Scan
Identification and confirmation using fragment and library matching
AIF Scan, MS2 Scan
Searches
for peaks
DATA FILE
PROCESSING
METHOD
RESULTS
Enhanced Data Review and Flagging of Results
Slide57Data Review Targeted Screening
Enhanced Data Review and Flagging of Results
Slide58TraceFinderTM Software
Powerful Features for the Method Developer
Slide59Key Feature – Compound Database
Compound Database can store both SRM and HRAM Information
Slide60New Feature - Compound Database Grid View
New view is excel style and allows for rapid editing of multiple compounds
Slide61Key Features – Powerful Method Creation
2. Select Compounds
4. Specify Calibration levels
1. Select Instrument
M
ethod
and
Processing Templates5. Specify QC levels3. Assign Compound
T
ype
Slide62Library Scoring has become part of the
Quan
ConfirmationsKey Features – Powerful Method Creation
Slide63Key Features – Powerful Method Creation
Limits
for Almost Every Parameter
Slide64New Feature - Relative
Quantitation
– Data Review
Relative Amounts are clearly indicated in data review as shaded cells and the linked curves are displayed with shading
Slide65New Feature - Administrator Console
User
Roles can be edited or created. Roles can be assigned to individuals or to Windows Groups.21 CRF Part 11 Compliance Capable
Slide66New Feature - Reporting Preview – Custom Reports
Run these reports under various conditions
Slide67Chromatogram editors allows for multiple
quan
peaks and their confirming ions to part of the repeating sectionsNew Feature - Custom Report Designer
Slide68Data Grid Entries – Insert a Table
New Features - Custom Report Designer
Slide69Mytracefinder.com: Blog for everything you need for TF
Categorized Blog post
Videos of functionality
Three ways to ask for help
Slide70Summary
Q-Exactive
The HR/AM capabilities combined with a variety of scan modes allows us the ability to do high sensitivity quantitation work that rivals the sensitivity of Triple Quads while offering superior selectivityHR/AM Quantitation on the QE can reduce our method development efforts and can offer us an alternative approach to some of our more difficult quantitation challengesTraceFinder
One
simplified
software package that bridges the gap for
quantitation and general screening applicationsCompatible with the full range of industry leading mass spectrometry and non-mass spectrometer platforms Configurable to support your market - Food Safety, Environmental, Clinical Research, Forensic Toxicology, or General Quantitation.Empowering Confidence in results using multiple forms of verification from databases and spectral libraries
Facilitates Throughput
with at a glance flagging, intelligent sequencing and innovative software algorithms for finding peaks, isotopic pattern matching and library searching
Slide71Acknowledgements
Catharina Crone -
Product Specialist FT-MS - Bremen
The TraceFinder Team:
Kristi
Akervik
, Product Manager
Jamie Humphries, Sr. Product ManagerJohn Boyd, Development ManagerTravis Godfrey, DeveloperJoseph Fluckiger, ArchitectNathan Hayden, Development LeadJamal Blackwell, DeveloperIan Mitchell, Developer
Slide72Acknowledgements – The Entire Bremen Team
Markus Kellmann
Product ManagerCatharina CroneApplication SpecialistAlexander Makarov
Orbitrap
Inventor
Yue Xuan
Oliver Lange
Thomas Moehring
Slide73