Identifying
MALDI-TOF MS is a popular identification technique in clinical microbiology labs. Mabritec offers an interesting web service to identify against a large self-assembled and quality controlled in-silico spectra database. We first start off with a spectrum acquired from a Bruker microflex axial TOF device. OpenChrom loads both the unprocessed and
Getting Started
We offer a unified workflow for baseline correction from chromatography to mass spectrometry. Chromatography In the OpenChrom Data Analysis perspective, you can right-click into the chromatogram and choose Baseline Detectors. At the time of writing it supports * Lowest Intensity * Lower Convex Hull * SNIP * TopHat with the Delete option to remove
Formats
Open standards in the realm of analytical chemistry have existed for a long time. Some have better marketing than others. Time for an overview of what already exists. JCAMP-DX The earliest open standard that is still around is JCAMP-DX from the International Union of Pure and Applied Chemistry, which in
Identifying
We talked about identifying peaks using the NIST mass spectral libraries before, which is great if the compound you are searching for is actually in the library, but what if it isn't? Mass spectral identification is always about patterns of fragments, and you can use that to your
Identifying
ChromIdent by Lablicate can be used to compare complex chromatograms and build up databases to search through. The design of ChromIdent™ dates back to 2010, when an automated approach to analyze complex pyrolysis GC-MS was developed for the pulp and paper industry as data evaluation was a bottleneck. A database
Identifying
A few years ago we presented external NIST integration where you install the NIST AMDIS and MS Search tools on your computer, trigger a search and import the results into OpenChrom. We even made it work on Linux and macOS thanks to an emulation layer called Wine. However, setting this
Identifying
Identifying substances via mass spectra with the help of computers started in the 1970s. PBM, short for Probability Based Matching, drafted by Fred McLafferty and his students at Cornell University, stands out because it was also commercially available in products such as the popular Agilent ChemStation®. Over the decades, the
Lablicate has been an early member of the Allotrope Partner Network (APN) because we believe that open standards in analytical chemistry are important; in fact, more important than ever before. If you want retrievable data in your company or in science, it cannot be saved in vendor-specific formats. You still
Mineral Oil Saturated Hydrocarbons and Mineral Oil Aromatic Hydrocarbons are contaminants that are unwanted in food and consumer goods. Gerstel offers a complete package for both hardware and software to analyze MOSH/MOAH. The software solution was designed together with Lablicate. The workflow within OpenChrom is a guided wizard that