Life Sciences Mass Spectrometry eNewsletter
Critical Mass Issue 17
Nov 2005
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 Tip of the Month: Ion Tree Experiments  
When performing an Ion Tree experiment, the Finnigan™ ion trap mass spectrometer can collect MSⁿ data automatically. The user can specify a particular ion for fragmentation, or let the mass spectrometer determine parent ions automatically and fragment them to any level between MS2 and MS10. The mass spectrometer then automates the collection of data by deciding what actions need to occur next for the experiment to progress. The results of a Data Dependent™ Ion Tree can be viewed in the Xcalibur Qual Browser window and the results are displayed as a structure tree that originates from a particular parent ion.
 

 Proteomics: Preserving PTMs - ECD on the Finnigan LTQ FT™  
Electron capture dissociation (ECD) has recently evolved as an alternate activation method, especially for peptide and protein sequencing with Fourier-transform ion cyclotron resonance-mass spectrometry (FTICR-MS). The most commonly used activation methods such as collision induced dissociation (CID) and infrared multiphoton dissociation (IRMPD) induce dissociation by vibrational excitation of the precursor. These activation methods induce “ergodic” processes, i.e. they add internal energy to the precursor slower than the rate of energy randomization, which leads to cleavage of the weakest bonds within the precursor. ECD, being non-ergodic in nature, preserves co- and post-translational modifications.
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 Quantum Waves: Analysis of Antibiotics in Environmental Water Samples  
Growing concern over the presence of antibiotics in environmental sources of water has caused environmental and government labs to develop LC/MS methods to monitor water supplies for the presence of antibiotics. The low-concentration of antibiotics in environmental water sources makes extensive sample preconcentration and cleanup a necessity. Preparation of water samples (100-1000 mL) prior to LC/MS analysis, even with an “unlimited” sample volume, is time consuming and reduces sample throughput.
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 Achieve Lower Levels of Quantitative Bioanalysis with H-SRM™  
Highly-Selective Reaction Monitoring (H-SRM) enables efficient analysis of complex biological samples. Thermo's patented HyperQuad™ quadrupoles yield higher ion transmission, minimizing false positives and maximizing sensitivity. In addition, the heated ESI probe with Dual Desolvation Zone technology further optimizes performance. Learn more by ordering your bioanalysis resource kit that includes:
- Chapter reprints from “Using Mass Spec. for Drug Metabolism Studies”
- The Finnigan TSQ Quantum™ and H-ESI Technology Demo DVD
- Tech. Note: “Achieve Ultra-low Levels of Quantitative Bioanalysis with H-SRM”
- Tech. Note: “Heated Electrospray Ionization (H-ESI) Probe”
Order your bioanalysis resource kit now 

 The Finnigan LXQ™ in Forensics  
The new Finnigan LXQ linear ion trap provides:
- Simultaneous identification and quantification of multiple analytes
- Superior sensitivity in complex matrices, even with minimal cleanup
- Enhanced selectivity of co-eluting compounds
- More information per sample per run
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 The Finnigan LXQ in Drug Discovery  
The new Finnigan LXQ linear ion trap provides:
- Exhaustive metabolite profiling from a single LC-MS analysis
- Identification of low abundance metabolites and resolving co-eluting compounds
- Obtaining important structural information with Data Dependent scan functions and excellent MSⁿ spectral quality
- Simplifying the analysis of complex samples
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 Software: Your Fingerprint Confirms Your Identity  
Think about what you do day-in and day-out to determine structures of your compounds of interest. Often this involves using a Data Dependent experiment to acquire MSⁿ information. Depending on the class of compound, the MS², MS³ or MSⁿ can be critical to providing clues about the structure. But what you really want is to retain all those Data Dependent relationships -- to keep the spectral tree intact. This tree is the fingerprint of your molecule. Imagine if these relationships or trees weere created automatically, if they could be databased, searched, and matched, if fragments were assigned structures. Imagine Mass Frontier 4.0. To get your own evaluation version, email brenda.kesler@thermo.com.
Do you know what the fingerprints of your compounds are? 

 Contribute to Critical Mass  
Critical Mass is now accepting contributions from subscribers. If selected for publication, contributors will receive a Thermo-branded memento as a token of our appreciation. You are welcome to send contributions in all areas of Mass Spectrometry. Critical Mass will accept a wide range of contributions including but not limited to your research interests in mass spectrometry or using mass spectrometry, tips, new applications, interesting stories on using Thermo's mass spectrometers, etc. Please click on the link provided below to read the Terms and Conditions for making contributions.
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 Trap Talk: DDCNL for Metabolite Identification  
A Data Dependent Constant Neutral Loss (DDCNL) experiment performs an MS scan followed by an MS/MS scan of the most intense peak to look for a user-defined neutral loss. If the MS/MS scan produces a fragment with the targeted neutral loss, an MS³ scan of the product ion is triggered. However, if the fragments in the MS/MS scan do not correspond to the targeted neutral loss, the software moves on to the next most intense peak in the MS scan and performs another MS/MS experiment. This sequence is repeated for a preset number of ions in the MS scan. DDCNL is a technique that increases selectivity for identification of metabolic modifications. It also simplifies the analysis of complex mixtures in biological matrices, and enables...
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