Simplifying the Screening Workflow for Forensic Toxicology Infographic
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The document discusses the complexity of identifying novel psychoactive substances (NPS) in forensic toxicology, emphasizing the capabilities of the Waters® unifi® scientific information system. It highlights features such as targeted and non-targeted screening, automatic reporting, and the ability to add new compounds to a comprehensive library of over 1300 substances. Unifi simplifies workflows by ensuring that raw data is always accessible for analyzing both known and unknown compounds.
![OXAZEPAM
PROPOXYPHENE
OXYCODONE
BARBITAL
BUPRENORPHINE
HYDROMORPHONE
LORAZEPAM
NOVEL PSYCHOACTIVE
SUBSTANCES (NPS)
SYNTHETIC CATHINONES
SYNTHETIC CANNABINOIDS
CARFENTANYL
FENTANYL
CODEINE
HYDROCODONE
With the increased use of novel psychoactive substances, the identification of
compounds in a forensic toxicology investigation can be a complex and time-
consuming process. Waters® UNIFI® Scientific Information System (UNIFI)
provides simple workflows for targeted screening and unknown compound
structural elucidation that will enable you to keep up with an ever changing
illicit drug scene.
www.waters.com/FTUNIFI
©2017 Waters Corporation. Waters, UNIFI, and The Science of What’s Possible
are registered trademarks of Waters Corporation. August 2017 720006057EN LM-WEB
[ FORENSIC TOXICOLOGY ]
Simplifying the Screening Workflow
for Forensic Toxicology
1. ALL THE DATA ALL THE TIME
UNIFI uses a well characterized library of over 1300 compounds. Retention time,
precursor, and fragment ion accurate mass data is used to identify compounds.
Identified compounds can also be quantified without having to re-process the raw
data or change software platform. New compounds can easily be added to the library.
With high resolution mass spectrometry and UNIFI,
you have all the data all the time to look for known
and unknowns. The raw data is always accessible
to interrogate later for new emerging drugs.
2. TARGETED SCREENING
UNIFI can automatically look for characteristic fragments
and use theoretical or ”in-silico fragmentation’’ information
to detect and identify new emerging psychoactive
substances such as cathinones, synthetic cannabinoids
and fentanyl derivatives.
3. NON-TARGETED SCREENING/
WHAT ELSE IS IN THE SAMPLE?
A customized report can be generated
that includes analysis methods,
processing parameters, chromatograms,
spectra, and identified compound
summary tables.
5. REPORT
UNIFI automatically derives the
elemental composition of
unknown compounds and
searches against on-line libraries.
Predicted fragment ions from
these libraries are automatically
compared to detected ions to
further aid the identification
of unknown compounds.
4. IDENTIFYING UNKNOWN COMPOUNDS
SCIE
NTIFICLIBR
ARY
YES](https://image.slidesharecdn.com/simplifyingthescreeningworkflowforforensictoxicolgy-180525131201/85/Simplifying-the-Screening-Workflow-for-Forensic-Toxicology-Infographic-1-320.jpg)
Simplifying the Screening Workflow for Forensic Toxicology Infographic
- 1. OXAZEPAM PROPOXYPHENE OXYCODONE BARBITAL BUPRENORPHINE HYDROMORPHONE LORAZEPAM NOVEL PSYCHOACTIVE SUBSTANCES (NPS) SYNTHETIC CATHINONES SYNTHETIC CANNABINOIDS CARFENTANYL FENTANYL CODEINE HYDROCODONE With the increased use of novel psychoactive substances, the identification of compounds in a forensic toxicology investigation can be a complex and time- consuming process. Waters® UNIFI® Scientific Information System (UNIFI) provides simple workflows for targeted screening and unknown compound structural elucidation that will enable you to keep up with an ever changing illicit drug scene. www.waters.com/FTUNIFI ©2017 Waters Corporation. Waters, UNIFI, and The Science of What’s Possible are registered trademarks of Waters Corporation. August 2017 720006057EN LM-WEB [ FORENSIC TOXICOLOGY ] Simplifying the Screening Workflow for Forensic Toxicology 1. ALL THE DATA ALL THE TIME UNIFI uses a well characterized library of over 1300 compounds. Retention time, precursor, and fragment ion accurate mass data is used to identify compounds. Identified compounds can also be quantified without having to re-process the raw data or change software platform. New compounds can easily be added to the library. With high resolution mass spectrometry and UNIFI, you have all the data all the time to look for known and unknowns. The raw data is always accessible to interrogate later for new emerging drugs. 2. TARGETED SCREENING UNIFI can automatically look for characteristic fragments and use theoretical or ”in-silico fragmentation’’ information to detect and identify new emerging psychoactive substances such as cathinones, synthetic cannabinoids and fentanyl derivatives. 3. NON-TARGETED SCREENING/ WHAT ELSE IS IN THE SAMPLE? A customized report can be generated that includes analysis methods, processing parameters, chromatograms, spectra, and identified compound summary tables. 5. REPORT UNIFI automatically derives the elemental composition of unknown compounds and searches against on-line libraries. Predicted fragment ions from these libraries are automatically compared to detected ions to further aid the identification of unknown compounds. 4. IDENTIFYING UNKNOWN COMPOUNDS SCIE NTIFICLIBR ARY YES