ACD/MS Workbook Suite includes IntelliTarget, which lets you quickly find those compounds you already know about, without manual data interpretation. Monitor samples analyzed by LC/MS and GC/MS for a list of expected compounds, and be alerted if they are present or not-even at trace levels, or when co-eluting with other compounds. Evaluate samples for further analysis, or to monitor specific compounds in your process.
With IntelliTarget, identify the presence or absence of known compounds in much less time than you could with manual data interpretation. Use it as a screening and monitoring tool, or as a preliminary step to further analysis with IntelliXtract to extract unidentified components in a complicated sample.
Save time by qualitatively screening samples before quantitative analysis to detect specific compounds and metabolites. IntelliTarget can be fully automated to accommodate high-throughput requirements for busy laboratories.
In forensic research, the IntelliTarget and IntelliXtract features are used as complementary components to easily identify marker metabolites. IntelliTarget finds the compounds you know, IntelliXtract finds everything else.
Environmental protection legislation around the world is demanding more stringent monitoring of surface and ground waters. Reduce the cost and time required to monitor an array of herbicides, pesticides, and other controlled substances with IntelliTarget; either by pre-screening samples for analysis, or with an automated solution that can handle higher volumes of samples.
IntelliTarget can also be used as a tool to assist in method development for new compounds, detecting them using only formula or mass, allowing you to find the retention time of new compounds without the laborious and time-consuming manual interpretation.
IntelliTarget can be used by analytical staff or spectroscopy experts to quickly identify the presence of contaminants in emergency or complaint samples. Using a commercial database for comparison, IntelliTarget identifies, with a simple easy-to read tabular output, those compounds that are present in the sample. Once any known compounds have been confirmed or eliminated, IntelliXtract can be used to detect other, potentially harmful unknown compounds, indicating a need for further testing and identification.
Ensuring the quality of our food chain requires speed and accuracy in detecting the presence of antibiotics, hormones, pesticides, and other harmful compounds. IntelliTarget provides a rapid result, indicating either Found or Not Found, even at trace concentrations. Specify a list of compounds of interest, or screen against a commercially-available database. IntelliTarget can also be automated to handle high-throughput monitoring of samples.
Rapidly confirm the presence or absence of expected metabolites by screening samples with IntelliTarget. Follow up with extracting unknown or unexpected metabolites with IntelliXtract, resulting in a powerful combination of tools for Metabolite identification.
|Agilent Technologies||1100 Series LC/MSD Quad and Ion Trap Systems||*.ms, *.yep||DAD data and single chromatogram curve are imported also. Splitter available|
|MassHunter (6000 series)||*.bin||Entire *.D folder structure should be used. Agilent component requires Microsoft .NET version 2. DAD can be imported (V12) and MS/MS split controlled in newer versions|
|AB SCIEX||Analyst||*.wiff||Single mass spectra, LC-MS and most LC-MSn imported. Splitter available. UV data not currently imported|
|See above||LightSight—Spectra are 'pushed' via ACD/Labs (NetCDF)|
|Analyst QS||*.wiff||Single mass spectra, LC-MS and most LC-MSn imported. Splitter available|
|Analyst TF||Under development|
|Applied Biosystems||Mariner Data Explorer ASCII LC/MS||*.txt||LC-MS data only|
|Bruker Daltonics and Agilent Technologies||Agilent or Bruker LC/MS Ion Trap||*.yep||LC-MS and DAD data|
|Bruker||Compass (accurate mass data)||*.d||Entire *.D folder structure should be used. Bruker component requires Microsoft .NET version 3.5.|
|Hitachi||LIT-TOF||*.dat||Not supported in ACD/Spectrus products|
|M-8000 and D-7000||*.msd; *.dad||LC-MS and DAD data|
|JEOL (Japan)||JEOL-DX||*.jsp, *.jpf, *.jmc||Single mass spectra and chromatogram curves|
|JEOL K9||*.spe||LC(GC)-MS data|
|LECO Corporation||ChromaTOF-HRT™ for Citius™ (GC) and Pegasus® (LC) HRTs||*.smp||GC/MS or LC/MS data; LC/MS with in-source CID provides separate precursor and fragment ion (isCID) channels|
|MasCom MASPEC II32 Data System||MASPEC||*.ms2||Single mass spectra and LC(GC)-MS data|
|Matlab/Eigenvector Research||DSO format||*.mat||Single mass spectra and LC(GC)-MS data|
|National Institute of Standards and Technology||NIST MS Software||*.msp||Uses Lib2NIST to convert .msp to supported format (.hpj or .sdf)|
|NIST SDF Library||*.sdf||Splitter available|
|Shimadzu Corporation||LCMS-IT-TOF||*.lcd||LC-MS and LC-MSn data only|
|GCMSsolution||*.qgd||GC-MS data (v11)|
|LCMSsolution||*.qld||DAD data and single chromatogram curve are also imported. May require vendor software on same computer|
|Thermo Scientific||Xcalibur||*.raw||Data splitting by Scan Filter parameters is available; format is supported only for Windows NT 4.0, Windows 2000, Windows XP, and Windows 7. Splitter available, to v2.2|
|Finnigan ICIS II||*.dat||Splitter available|
|Galactic||*.spc||Export is available for single MS only|
|Unidata||netCDF||*.cdf, *.nc||Splitter available|
|Varian, Inc.||1200||*.dat||Splitter available|
|XMS||*.xms, *.sms||Splitter available|
|Saturn 2000||*.sms||Splitter available|
|Waters Corporation||MassLynx||*.raw||All files in the folder containing the _functns.inf file are necessary for data import. Splitter available|
|Micromass OpenLynx||*.rpt||Splitter available|
|Millennium32 (2D and 3D PDA data)||"Connect to" ability available|
|Empower (2D and 3D PDA data) and Empower 2 (2D and 3D PDA data)||"Connect to" ability available|
|Empower (3D MS data)||LC-MS data only|
|Open Source||ASCII||*.txt||Single MS only|
|JCAMP||*.dx, *.jdx||Splitter available|
|netCDF||*.cdf, *.nc||Single MS and LC(GC)-MS data|