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LECO’s Citius High Res LC/MS:

Faster results fewer runs

Dave SchlegelLECO Separation Science

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LECO Citius

• Today’s researchers are under pressure to provide accurate results to complex problems in less time than ever before. To meet these challenges, many researchers rely on high resolution mass spec systems to obtain qualitative results and triple quads to obtain quantitative results.

• However, there's a more efficient way to reach your goals--through the use of high performance time-of-flight mass spectrometry. This technology allows you to collect qualitatively and quantitatively useful data not just on the same instrument, but also at the same time. The different qualitative and quantitative functions are accomplished post hoc with data analysis software, not by performing serial experiments or by compromising duty cycle in a single run.

• The Citius provides researchers with a single instrument that can produce excellent results in a single run.

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Mass Spectrometry with Comprehensive CID (MSc2)

CHARACTERISTICS• Same high resolution and mass

accuracy in precursor and product ion spectra

– 1 ppm; 50k or 100k– Accurate Isotope Information

• Available ALL of the time• High acquisition speed

– Up to 100 product and 100 precursor spectra/sec

• Signal Deconvolution• Independent acquisition

channels for precursor and product ions

• MRM-like selectivity amplification

Ionization

+++

+

++++++++

++

++

Transport

+++

+Separat

eDetect

Ionization

+++

+Fragmen

tSeparat

eDetect

• High Speed Switching(100 s/s precursor/product)

• Controlled pressure• Refocused during

fragmentation and before MS

High ResolutionHigh Mass Accuracy

High Integrity Isotopes

Precursor

Product

Citius™ LC-HRT

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Mass Analyzer Design

Citius™ LC-HRT

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Citius™ Ion Interface

Sample Nozzle

Multipole Ion Guide #1

SkimmerMultipole Ion Guide #2

Ion Optics Stack

Orthogonal Accelerator

To mass analyzerCID

region

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MSc2 in Drug Metabolism - DMPK

50 55 60 65 700

2000

4000

6000

8000

10000

12000

Time (s)

243.149190±0.000486 (Parent Ions)257.164840±0.000514 (Parent Ions)271.180490±0.000542 (Parent Ions)287.175404±0.000577 (Parent Ions)182.096426±0.000546 (Fragment Ions)

DIdesmethyldoxylamineDesmethyldoxylamine

DoxylamineDoxylamine + O

Common Fragment;loss of (substituted) ethanolamine

Assignment Expected m/z Observed m/zRelative m/z Error

/ ppm

Didesmethyldoxylamine 243.149190 243.14925 0.2

Desmethyldoxylamine 257.164840 257.16497 0.5

Doxylamine 271.180490 271.18049 0.0

Doxylamine + O 287.175404 287.17543 -0.1

100 150 200 250 300 350 400 450 5000

2500

5000

7500

10000

12500

15000

17500

20000

Inte

nsity

(cou

nts)

M/Z

271.18049

Peak True - sample"3001KS2011w07-025 AM Sample", Peak 18, at 57.3423 s

100 150 200 250 300 350 400 450 5000

2500

5000

7500

10000

12500

15000

17500

20000

Inte

nsity

(cou

nts)

M/Z

182.09672

271.

1810

5

90.0

9145

Peak True(Cid) - sample"3001KS2011w07-025 AM Sample", Peak 18, at 57.3423 s

Parent Ion Channel

Product Ion Channel

Product Ion Channel

AssignmentObserved

m/zR (FWHM)

m/z Error /ppm

Relative Isotopic

Accuracy

[C4H12NO]+ 90.09145 35232 1.2

[C13H12NO]+ 182.09672 45503 1.6

M+1 183.10023 43879 2.1%

M+2 184.10332 42877 5.8%

[C17H23N2O]+ 271.18105 48606 2.1

M+1 272.18446 49421 -4.6%

M+2 273.18732 49147 29.2%

Parent Ion Channel

AssignmentObserved

m/zR (FWHM)

m/z Error /ppm

Relative Isotopic

Accuracy

[C17H23N2O]+ 271.18049 49409 0.0

M+1 272.18398 49044 -4.5%

M+2 273.18671 41602 -3.8%

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Mass Accuracy in Fragment Ion Analysis

Target m/z Observed m/zPrecursor or

Fragment 1 2 3 4 5 Avg. Error (ppm)

124.9998 F 124.99976 124.99972 124.99971 124.99984 124.99971 -0.416

104.107 F 104.10691 104.107 104.10701 104.10694 104.10697 -0.327

86.09643 F 86.09633 86.09635 86.09636 86.09637 86.09637 -0.860

60.08078 F 60.08073 60.08067 60.08067 60.08074 60.08075 -1.132

184.07332 F 184.07306 184.07311 184.07313 184.07316 184.07319 -1.032

782.56943 P (PC 36:4) 782.56826 782.56875 782.56861 782.56868 782.56789 -1.268

806.56943 P (PC 38:5) 806.56837 806.56835 806.56728 806.56652 806.56643 -2.529

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For More Information

Contact LECO at:

World Headquarters/United StatesIn United States: 800-292-6141 or 269-985-5496

Outside U.S.A.: 269-983-5531

Email: info@leco.comwww.leco.com