1. science
2. chemistry

IIETD
Unparalleled Versatility - Small Molecules
to MegaDalton Complexes
Innovation with Integrity
UHR-TOF MS
maXis II - Market Leading
High-Resolution LC-QTOF
This heralds a new era in QTOF technology with
unprecedented performance across wide-ranging
applications to resolve the most demanding
analytical challenges. maXis II delivers a full
range of market leading performance parameters
simultaneously. Bruker’s Ultra-High Resolution
QTOF technology has reached new heights
in accurate-mass LC-MS/MS. In addition, the
system offers Electron Transfer Dissociation
(ETD) capabilities for sequence analysis of intact
proteins including monoclonal antibody subunits.
Furthermore, the High Mass Option facilitates
easier characterization of high molecular weight
species and native state protein complexes
including antibody drug conjugates.
maXis II is Perfectly Suited for :
Characterization of Antibodies (Intact & Subunits)
Intact Protein and Proteoform Profiling
Protein Complexes
Small Molecule Identification and Quantitation
Native MS with High Mass Option
Electron Transfer Dissociation (optional)
Innovations
Market leading innovations with the latest in Bruker‘s QTOF technology, already proven on impact series
Ultra High Time-of-Flight resolution across wide m/z range acquired at LC time scales
Enhanced Dynamic Range not limited by space charge effects
Versatility
Versatility from Small Molecules up to MegaDalton complexes
Full scan MS, DIA - broad band CID, DIA- middle band CID, CID MS/MS, and LC-ETD MS/MS
on a single instrument
Productivity
Fast time-to-results
Dedicated biopharmaceutical and protein analytics software solutions for greater productivity
and increased confidence for intact protein and mAb characterization
Walk-up Solution for molecular formula identification
Software to support 21CFR part11 compliance
maXis II - Technological Innovations
Resolution @ LC speed
Native MS of chaperons
Resolution that enables the separation of 34S
isotope separated from 13C isotope at m/z 311
acquired at a scan speed of 12 Hz.
Native MS of chaperons
GroEL: 14-mer (802.5 kDa)
and 13-mer (744,9 kDa)
14-mer
13-mer
0m/z
Versatility and Research Performance
Easily switch between the following workflows:
- Small molecule
- Electron Transfer Dissociation
- Native MS without Hardware changes
Enhanced desolvation of
super molecular complexes
Robust ETD capabilities
Reagent anion source with
novel Gas Enrichment
Apparatus
80,000 FSR (Full Sensitivity Resolution) achievable from 1- 50 Hz
acquisition speed to separate near isobaric peaks
Ultra-reliable mass stability from dalton to megadalton
Native Mass Spectrometry enabled without sacrificing other
performance vectors – for structural investigation of large proteins
complexes sprayed in their native state
50625
50630
50635
50640
50645
50650
50655
50660
50665m/z
Deconvoluted spectrum of Adalimumab Heavy
Chain clearly enabling the reliable determination
of the correct monoisotopic mass
Electron Transfer Dissociation (ETD) for MS/MS of Intact Proteins
and Identifications of Modifications
High resolution
reflectron –
Resolution,
robustness and
mass stability
ETD source in continuous operation
Intens.
x104
Int.
ETD
reagent
0.8
0.6
0.4
Operation > 6000 min > 4 days
0.2
0.0
1000
2000
3000
4000
5000
6000
Time [min]
Robust ETD source enables continuous
operation for ultra-reliable ETD results.
First time - every time.
Optimized, fast 10 bit detection system –
High dynamic range, true isotopic pattern
DC gradient collision cell for
high sensitivity and fast MS/MS
Certainty in Small Molecule Analysis
# possible formulae
Fast, Accurate Identification of
Unknowns
Bruker’s unique and integrated hardware
and software combine to rapidly and
precisely identify molecular species.
The superb high quality data from the
maXis II, i.e. accurate mass and true
isotopic patterns (TIP), in combination
with Bruker’s unique ab initio formula
discovery tools, SmartFormula™ and
SmartFormula 3D™, provide accurate
molecular formulae with a maximum
level of certainty.
Mass Accuracy
low ppm accuracy
numerous
plus Chemical Expertise
additional confidence
medium
plus SmartFormula
(Mass Accuracy+TIP)
sub-ppm confidence
few
plus SmartFormula3D
(fragments-based TIP)
unambiguous formula ID
single
TIP for Increased Confidence
“Mass Accuracy is insufficient even at
less than 1 ppm.” for molecular formulae
to be assigned even for small molecules
(<900 Da) *
(*Kind, Fiehn, BMC Bioinformatics 2006, 7:234;
http://fiehnlab.ucdavis.edu/projects/identification/ )
823.4122
824.4153
High quality spectra with TIP provide
isotopic abundance information which
is essential to narrow down potential
molecular formulae with confidence.
Comparison of the theoretical and
observed isotopic patterns results in
a statistical match factor σ-fit (mSigma
value) – increasing certainty in the
proposed assignment.
825.4179
List View of measured (blue) and simulated
(red) spectra
for Rifampicin (C43H58N4O12) shows
826.4211
a perfect match for the isotopic patterns (perfect mSigma),
even for the low abundance
1+
823
824
825
826
827
m/z
1+
826.4212
isotopes.
825.4185
1+
824.4156
823.4122
+MS, Measured Spectrum
824.4153
1+
823.4124
825.4179
823
824
825
1+
825.4185
1+
824.4156
826.4211
826
1+
826.4212
827
m/z
Simulated Spectrum
823.4122
791.3862
1+
823.4124
824.4153
+MS/MS
399.1661
825.4179
823
151.0755
315.1953
209.1172
100
824
200
300
399.1661
825
1+
825.4185
826.4211
826
1+
826.4212
827
1+
824.4156
400
500
1+
823.4124
600
700
791.3862
800
m/z
m/z
Achieve Knowledge Faster with
Innovative Software
Bruker’s application-specific software platforms convert the high quality data from
the maXis II into knowledge.
SmartFormula for Unambiguous
Determination
Compass Open Access - Simplicity
with Certainty
SmartFormula permits the unambiguous
elemental composition determination
by combining accurate mass and true
isotopic pattern information.
Deliver an expert analytical result
first time for every walkup lab user,
independent of their knowledge or
experience. Compass OpenAccess
puts the most sophisticated mass
spectrometry tools at the fingertips of
every user, for any number of users.
It automatically assigns and reports
identified formulae with accompanying
certainty statistics, providing a tool of
unprecedented power for the organic
chemist or discovery scientist.
Compass
openaccess
Biopharmaceutical Applications
Protein characterization software
solutions including Glycoquest for
all your in-depth protein/glycoprotein
characterization needs – get greater
insight and understanding of your
protein systems by readily combining
datasets from top-down, bottom-up and
middle-up/down experiments.
Biopharma Compass for the
automation of routine protein
characterization tasks - from
sample to knowledge with
confidence
Customizable automated data acquisition,
processing and reporting for intact,
subunit and peptide characterization
workflows for increased productivity and
“at-a-glance” confidence. BioPharma
Compass utilizes powerful data
processing algorithms, such as MaxEnt
and SNAP (patent US 6188064 B1), to
determine monoisotopic masses turning
the ultrahigh resolution raw data obtained
on the maXis II into sample knowledge.
Peptide Maps
Annotated BPC
Multiple enzymes
Library matching
Subunit analysis
Comparison with
reference material
Intact Mass Analysis
Comparison with
reference material
Glycoform ratio calculation
BioPharma
Compass
Screening
Impurities
Released glycans
A New Level of Confidence:
The Benefits of Enhanced Resolution,
TIP and Mass Precision
middle-down and bottom-up ESI and
MALDI mass spectrometry techniques“
Ayoub Daniel, Elsa Wagner-Rousset,
Beck Alain, et al. mAbs 2013; 5:5,
699–710
Enhanced resolution and mass accuracy
allows the complete characterization of
closely related heterogeneities within the
antibody subunit. Read more in: “Correct
primary structure assessment and
extensive glyco-profiling of cetuximab
by a combination of intact, middle-up,
Adalimumab Light Chain, 23 kDa measured in LC - Time-Scale
Mr
'23397.6208
Intens.
x10 5
variable region
light chain
4
3
constant region
2
1
0
heavy chain
Mr
'23365.6492
23380
Mr
'23417.6084
Mr
'23380.6343
23390
23400
Mr
'23428.6092
23410
23420
23430
23440
m/z
Adalimumab, Light Chain 23 kDa, Deconvoluted Spectrum
Mr 23397.6208
Expected Mr: 23397.6092 Da
∆Mr/Mr = 0.52 ppm
23400
23405
23410
23415
23420
23425
m/z
Only the unique combination of:
- Full scan high-resolution MS
- True isotopic pattern
- MaxEnt devonvolution
- Monoisotopic peak assignment using SNAP (Patented)
gives the correct monoisotopic mass and the last LAST WHOLE
DIGIT to determine the modifications like deamidation, in one run.
Fast and Confident Characterization
Light Chain
30
32
34
36
Heavy Chain
38
40
42
44
46
Time [min]
LC-MS chomatogram of reduced antibody
Adalimumab from 28 to 48 minutes
50613.0412
G0F
3.0
HC- Cmpd 2, 41.2 min
LC- Cmpd 1, 35.8 min
Building on the powerful subunit
workflows already accessible, the maXis
II with its increased resolving power of
80,000 enables the measurement of the
monoisotopic mass of antibody heavy
chains in a simple reduction experiment,
without time-consuming enzymatic
digestion, minimizing the possibility of
introducing artifacts.
Intensity x105
2.5
2.0
1.5
1.0
G0F+K
G1F
0.5
G1F+K
0.0
50600
50650
50700
50750
50800
50850
50900
G2F
50950 m/z
Mass Spectrum of Heavy Chain with resolved isotopes
Class leading performance
allows faster and more confident
characterization of the heavy chain of
monoclonal antibodies.
~80,000 resolution
Mr mono (meas ) = 50613.041 Da
Mr mono ( expected) = 50613.004 Da
∆Mr / Mr = 0.73 ppm
50625
50630
50635
50640
50645
50650
50655
50660
50665 m/z
Max. Ent. Deconv. Spectrum measured in blue. Simulated mass spectrum in black.
Sequence Verification by Top-Down
LC-ETD-MS/MS
Top-down molecular weight measurement
plus LC-ETD-MS/MS sequence data helps
to detect and localize modifications in
monoclonal antibodies much faster.
Automation of LC-ETD-MS/MS
workflows including acquisition, data
processing and reporting for sequence
verification and ready detection of
modifications can be achieved using
Biopharma Compass software.
This software fully automates
LC-ETD-MS/MS workflows resulting in
sequence verification and identification
of modifications.
550
570
590
610
630
LC-ETD chromatogram of Carbonic Anhydrase
LC-ETD spectrum of Carbonic Anhydrase (29 kDa) obtained using new ICC algorithm (ion charge control)
Sequence coverage of ~ 50% from ETD spectrum
Time [sec]
650
Intens.
x106
1.25
1.00
120
0.75
125
0.50
126
127
118
128
Intact Protein Mixture Analysis
117
0.25
119
122
121
124
123
0.00
31.5
32.0
Intens.
x106
32.5
33.0
33.5
Time [min]
LC-MS run of serum sample
1.25
134
1.00
120
0.75
125
0.50
126
127
118
128
0.25
117
119
122
121
124
123
0.00
31.5
32.0
32.5
33.0
33.5
Time [min]
6
60
131
68
134
6
37
16
2
7 8 910
11 12
345
60
15
14
23 28
18
19
21
17
20
25
2224
27
26
5
116
76
111 115
126
125
127
51
32
31
30
29
13
1
130
132
120
61
333435 36 3940
46
38 4142
47
434445
10
48
49
50
118
110112
128
55
109
77
87
108
114 117
59
113
65 69 72
86
119121122
104
70 73 7475
8182
106
62
105
53
8385
95 97 99
58
88
107
66
67
52 54
80
64
90
101
124 129
63
84
89 91
79
9293 9496 98100
71
123
56
78
57
103
102
15
20
25
30
133
35
Time [min]
131
Intens.
x10 4
2.5
755.0565 68
6
37
16
2
13
1
345
130
132
120
7 8 910
11 12
5
15
14
61
111 115
2.0
32
31
30
29
23 28
18
19
21
17
20
25
2224
27
26
Utilizing well-established protein and
peptide analysis functionalities, Bruker‘s
bioinformatic software provides a
sophisticated tool for further data
interrogation of intact protein profiles and
top down protein sequencing studies.
116
76
126
125
127
51
118
110112
128
109
77
87
108
114 117
59
113
65 69 72
86
119121122
104
70 73 7475
8182
106
62
105
53
8385
95 97 99
58
129
88
107
66
67
52 54
80
64
90
101
124
63
84
89 91
79
9293 9496 98100
71
123
56
78
57
103
102
133
55
333435 36 3940
46
38 4142
47
434445
1.5
560.3346
48
49
50
10
15
20
25
30
35
Time [min]
1.0
0.5
1455.0323
1273.1534
2253.8843
1659.8122
0.0
500
750
1000
1250
1500
1750
2666.3939
2506.4807
1926.0672
2000
2250
2500
m/z
> 30 proteoforms in this peak from 7 to 46 kDa co-eluted in a 6 seconds window
Mr
'16580.0519
> 1000 proteoforms resolved in a
35 min run
16 kDa
Intens.
x104
35 kDa
Mr
'34629.9854
Intens.
x104
Mr
'45028.4307
1.0
45 kDa
+MS, 33.37-33.47min, Deconvoluted (MaxEnt, 316.88-3004.94, *0.0697917, 60000)
1.0
Mr
'45044.4448
0.8
Mr
'45079.4255
Mr
'45064.4149
0.8
0.6
Sub-ppm mass accuracy & isotopic
accuracy
Isotopic resolution achievable for
proteins > 40 kDa
MS/MS available for the ID of the
proteoform of interest
0.6
Mr
'34667.9553
0.4
0.4
0.2
Mr
'16596.0448
0.2
0.0
16580 16585 16590 16595 16600 16605 16610 m/z
34650
34660
0.0
45040
34670
4506034680
34690
45080
34700
45100
m/z
45120
Dynamic Source Configuration
In addition to the ESI sources, Bruker‘s life sciences MS systems support a wide range of source
options from Bruker and from third-party vendors, all switchable within seconds.
CaptiveSpray™ nanoBooster
APPI
The CaptiveSpray nanoBooster is the
ion source that brings your MS to the
next performance level. The operation
is just as easy as performing electrospray.
The nanoBooster provides robust quantitation,
enhanced glycoanalysis and supercharging.
Atmospheric Pressure Photo Ionization is used
for less polar or non-polar molecules that cannot
be ionized in either ESI or APCI.
APCI
Atmospheric Pressure Chemical Ionization is
used in metabolomics, as well as for drug or
pesticide screening for less polar molecules
where ESI fails to deliver reasonable
quantities of ions.
GC-APCI II
The GC-APCI II source with unique flexible,
heated transfer line, and calibrant delivery
enables GC coupling to any Bruker TOF, QTOF,
trap, or FTMS system originally designed for LC
coupling.
ESI
APCI
DIP Option for
APCI II
APPI
CaptiveSpray nanoBooster
GC-APCI II
For research use only. Not for use in diagnostic procedures.
Bruker Daltonik GmbH
Bruker Daltonics Inc.
Bremen · Germany
Phone +49 (0)421-2205-0
Fax +49 (0)421-2205-103
Billerica, MA · USA
Phone +1 (978) 663-3660
Fax +1 (978) 667-5993
[email protected] - www.bruker.com
to change specifications without notice. © BDAL 01-2015. 1834054
The ionBooster offers a 5 – 100x gain in
sensitivity for many compounds of interest
in the fields of environmental analysis, food
testing, and research in the field of therapeutic
drug monitoring.
The DirectProbe add-on for the Bruker APCI II
and APPI II ion sources allows for direct
analysis of liquid and solid samples without
tedious sample preparation.
Bruker Daltonics is continually improving its products and reserves the right
ionBooster
DIP