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NIST DART-MS Forensics Database (is-CID)
The NIST DART-MS Forensics Database is an evaluated collection of in-source collisionally-induced dissociation (is-CID) mass spectra of compounds of interest to the forensics community (e.g. seized drugs, cutting agents, etc.). The is-CID mass spectra were collected using Direct Analysis in Real-Time (DART) Mass Spectrometry (MS), either by NIST scientists or by contributing agencies noted per compound. The database is provided as a general-purpose structure data file (.SDF). For users on Windows operating systems, the .SDF format library can be converted to NIST MS Search format using Lib2NIST and then explored using NIST MS Search v2.4 for general mass spectral analysis. These software tools can be downloaded at https://chemdata.nist.gov. The database is now (09-28-2021) also provided in R data format (.RDS) for use with the R programming language.This database, also commonly referred to as a library, is one in a series of high-quality mass spectral libraries/databases produced by NIST (see NIST SRD 1a, https://dx.doi.org/10.18434/T4H594).
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NIST/NIJ DART-MS Data Interpretation Tool
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Direct Analysis in Real Time Mass Spectrometry (DART-MS) is an analytical chemistry technology that is being increasingly employed in forensic applications. This form of mass spectrometry rapidly yields rich structural information about an analyte with minimal sample preparation. The challenge with DART-MS data, much like other data generated with high throughput technologies, lies in the data interpretation. This is especially true when the analyzed samples are multi-component mixtures like seized drug evidence. The NIST/NIJ DART-MS Data Interpretation Tool (DIT) is a freely available and open-source software tool developed to support the interpretation of in-source collision induced dissociation (is-CID) DART-MS data. The NIST/NIJ DART-MS DIT can be used to view reference mass spectra from DART-MS spectral libraries, search query DART-MS mass spectra of mixtures against reference libraries, using the Inverted Library Search Algorithm, and generate printable reports from search results. Several of the features, including the formatting of generated reports, were iteratively designed with input from local, state, and federal forensic practitioners, ensuring that the program is intuitive and usable for the expected users.
National Forensic Laboratory Information System (NFLIS) Public Data Sets
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NFLIS data provides the community with midyear and annual reports highlighting trends in seized drug data submitted to and analyzed in laboratories. The tables report results by frequently reported substances, by geography, and by year. The tables are publicly posted to provide easy access to the most frequently requested NFLIS data. NFLIS began in September 1997 as a single data collection effort of drug chemistry analysis results from by local, State, and Federal forensic laboratories (now called NFLIS-Drug). These laboratories analyze substances secured in law enforcement operations across the country. NFLIS-Drug includes voluntary participation from 50 State systems and 111 local or municipal laboratories/laboratory systems. The NFLIS-Drug Snapshots highlight new and emerging drugs, and the public data tables show drug reports by state from 2007 through present. The NFLIS program has since expanded the scope of data collection to include public and private toxicology laboratory data on toxicological findings from antemortem and postmortem drug testing (NFLIS-Tox) and medical examiner and coroner office data regarding deaths in which drugs were identified (NFLIS-MEC).
NIST/EPA/NIH Mass Spectral Library with Search Program - SRD 1a
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This database is the product of a multi-year, comprehensive evaluation and expansion of the world's most widely used mass spectral reference library.
한국한의약진흥원 독성시험 부검 및 병리조직학적검사 예측
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한국한의약진흥원에서 수집 및 정제한 한약 실험정보 데이터 중 독성 시험의 부검 및 병리조직학적검사 예측을 위한 데이터(항목: 한약재 ID, 투여약물유형, 추출용매, 투여용량, 투여(용량)단위, 독성측정 값)입니다.
EC-SERS (Electrochemical Surface-Enhanced Raman Spectroscopy) Spectral Database of Drug and Adulterant Compounds in relation to the manuscript "Novel Electrochemical Surface-Enhanced Raman Spectroscopy: Developing a Spectral Database for Future Forensic Drug Chemistry Libraries."
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This data set contains the spectral data associated with the collection of EC-SERS spectra using mainly a nontargeted drug identification approach, with several samples using a targeted fentanyl identification approach. The data set contains the replicate measurements and averaged Raman spectra used in the characterization of the analytes (drugs of abuse and adulterant compounds) to allow for forensic library formation. The data set also contains spectra of analytes collected at varying concentrations and additional fentanyl analog data collected using a targeted method.
Compound 528986: 1,2-Triacontanediol, di-TMS
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Chemical compound data from PubChem database. IUPAC Name: trimethyl(1-trimethylsilyloxytriacontan-2-yloxy)silane. Molecular Formula: C36H78O2Si2. Molecular Weight: 599.2. This dataset contains comprehensive chemical information including structural data, physical properties, and biological activities. Useful for drug discovery, chemical research, and educational purposes.
Compound 528976: 1,2-Hentriacontanediol, di-TMS
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Chemical compound data from PubChem database. IUPAC Name: trimethyl(1-trimethylsilyloxyhentriacontan-2-yloxy)silane. Molecular Formula: C37H80O2Si2. Molecular Weight: 613.2. This dataset contains comprehensive chemical information including structural data, physical properties, and biological activities. Useful for drug discovery, chemical research, and educational purposes.
2015 NSDUH Pill Images
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These pill images are from the ACASI portion of the 2015 NSDUH questionnaire.
식품의약품안전처 식품의약품안전평가원 한약재 허가 기원 정보
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생약정보시스템의 한약재 허가 기원 정보에 대한 데이터로서, 생약명, 동식물명, 기원, 규격 등에 대한 항목을 제공합니다.
Compound 530425: Tris(trimethylsilyl) 1,2,3-propanetricarboxylate
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Chemical compound data from PubChem database. IUPAC Name: tris(trimethylsilyl) propane-1,2,3-tricarboxylate. Molecular Formula: C15H32O6Si3. Molecular Weight: 392.67. This dataset contains comprehensive chemical information including structural data, physical properties, and biological activities. Useful for drug discovery, chemical research, and educational purposes.