Wiley Registry/NIST Mass Spectral Library 2023

Technique: Bases de données de spectres GC-MS, Bases de données de spectres LC-MS

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Présentation

Fourni par le leader en données de spectrométrie

Une couverture étendue des composés pour garantir des résultats fiables

Bénéficiez de la puissance combinée de deux bibliothèques indispensables pour l’analyse de spectrométrie de masse

 

Le Wiley Registry®/Bibliothèque de spectrométrie de masse NIST 2023 est la bibliothèque de spectrométrie de masse la plus complète disponible à la vente avec plus de 3 millions de spectres (comprend les EI et données MS tandem) ce qui en fait le choix de prédilection pour l’identification des composés inconnus généraux. Une couverture étendue et actualisée des composés permet leur identification dans de multiples cas d’usage et avec un vaste éventail de substances à analyser.

Voici quelques-unes des raisons pour lesquelles la version 2023 du Registre Wiley/ bibliothèque NIST est une ressource essentielle pour tout laboratoire qui réalise des analyses MS :

  • Vaste gamme de composés pour des analyses ciblées et non-ciblées, améliorant à la fois les délais et les chances d’identification grâce à un ensemble de données complet.
  • Couverture étendue des brevets mondiaux, y compris aux États-Unis, en Chine, au Japon et en Europe dans la version 2023 pour vous assurer que votre laboratoire est à jour.
  • Les registres de spectres comprennent des informations supplémentaires consultables, telles que les propriétés physiques, structures et DOI, lorsqu’elles sont disponibles, pour vous permettre d'affiner vos résultats.
  • Les données sont soigneusement sélectionnées et examinées par des experts internes de Wiley ainsi que des experts externes pour garantir qu'elles répondent aux normes qualitatives et vous fournissent des résultats fiables.
  • Les spectres sont segmentés en bibliothèques distinctes, y compris les spectres répliqués excédentaires qui permettent une recherche rigoureuse dans des configurations de laboratoire variées.
  • Disponible dans les formats de fabricante d’instruments les plus courants pour garantir la compatibilité.
  • Inclut le logiciel NIST 2023 (MS Search, AMDIS, MS Interpreter) pour garantir que votre laboratoire dispose des outils analytiques les plus récents.

Outil indispensable pour tout laboratoire effectuant des analyses GC-MS ou MS-MS, le Wiley Registry®/ bibliothèque de spectrométrie de masse NIST demeure un élément de base des laboratoires. Il évolue en permanence pour répondre aux exigences de recherche actuelles toujours croissantes, dans le cadre de l’engagement continu de Wiley à fournir des ressources de données pertinentes et de qualité.

Spécifications des bases de données

Types de donnéesDonnées GC-MSDonnées tandem MS (MS/MS)
Wiley Registry/NIST 2023*NIST/EPA/NIH 2023
Spectres1 180 800Plus de 2,3 millions
Structures chimiques1 148 600Plus de 1,4 million
Composés uniques950 20051 500
Ions399 200

**Wiley Registry/NIST EI database counts = Wiley Registry and NIST, minus any overlap. 

Quelles sont les nouveautés de la dernière version ?

Bénéficiez de tous les avantages de la version 2023 de cette collection combinée :

Assurez-vous que votre laboratoire est à jour en intégrant la dernière version de cette collection évolutive.

  • Ajout de plus de 74 000 composés uniques et de plus de 91 900 spectres.
  • Désormais disponible également en abonnement KnowItAll, pour disposer d’un accès continu aux nouvelles données ajoutées au Registre Wiley entre les mises à jour principales.

Registre Wiley de données de spectrométrie de masse 2023 – Nouvelles fonctionnalités

  • Couverture étendue des brevets mondiaux et littérature relue par les pairs, y compris les DOI d’articles sources. 
  • Un indice de qualité a été attribué aux spectres, afin d’affiner les recherches pour exclure les spectres n’atteignant pas l’indice de qualité seuil.

Bibliothèque de spectrométrie de masse 2023 NIST / EPA / NIH – Nouvelles fonctionnalités

  • Les valeurs AI-RI ont été ajoutées à toutes les données EI.
  • La bibliothèque MS-MS comprend 60 % de composés supplémentaires par rapport à la version 2020, couvrant désormais 51 000 composés et plus de 399 000 ions précurseurs.

Cas d’utilisation tirés de la littérature

Here are a few of the many examples of how scientists use the Wiley Registry across various applications from the literature.

Article TitleDOI LinkSummaryApplication Area
Circulating levels of butyrate are inversely related to portal hypertension, endotoxemia, and systemic inflammation in patients with cirrhosishttps://doi.org/10.1096/fj.201901327RShort-chain fatty acids (SCFAs) are gut-derived products present in the blood stream. In this work, it is shown using GC-MS on blood samples that patients with cirrhosis have decreased levels of SCFAs, and these decreased levels are associated with more advanced liver disease. The SCFAs were identified using both the retention times for standard compounds, and with standard spectra from the National Institute of Standards and Technology (NIST) 08 Mass Spectral Library and the Wiley Registry of Mass Spectral Data, 7th Ed.Pharmaceutical
Emission of novel volatile biomarkers for wheat powdery mildewhttps://doi.org/10.1016/j.scitotenv.2021.146767Biogenic volatile organic compounds (BVOCs) are emitted from both plant vegetation and their pathogens. Thus, BVOCs can act as biomarkers for detection or early forecasting of infections. BVOCs are hereby identified to serve as biomarkers for the onset of powdery mildew, one of the world’s leading diseases for wheat. VOC identification was based on background subtracted mass spectra identified using the NIST (National Institute of Standards and Technology)/EPA/NIH Mass Spectral Library 17 (2017) and the Wiley Registry® of Mass Spectral Data, 10th edition (2014).Agriculture
Effect of lactic acid fermentation of red beetroot juice on volatile compounds profile and contenthttps://doi.org/10.1007/s00217-023-04304-ySpontaneous fermentation in food products is impacted by naturally occurring lactic acid bacteria (LAB). LAB can be used to increase a food product’s microbiological safety, nutritional properties, and health benefits. Because VOCs are formed during the fermentation process, this study analyzed VOCs’ profiles and content of red beetroot juice fermented with different LABs. The VOCs were identified by comparing retention times, retention indices, and mass spectra with the Wiley Registry 7th Edition Mass Spectral Library and the National Institute Standards and Technology (NIST) 2005 Mass Spectral Library.Food Science
Phytochemical analysis and insight into insecticidal and antifungal activities of Indian hawthorn leaf extracthttps://doi.org/10.1038/s41598-023-43749-9Fungicides and insecticides are commonly used to control a variety of pathogens and insect pests, but these can have harmful effects on humans and the environment. To combat this, researchers propose using natural plant extracts such as Indian Hawthorn (HAL), which have demonstrated significant antifungal activity against fungal pathogens. The Wiley Registry 8th Edition was used to identify the components in HAL, found to be various organic compounds that may exhibit potential pharmacological and antimicrobial activities. Thus, HAL extract could serve as a natural and sustainable solution to manage fungal infestations in plants.Environmental
Prediction of clinically significant prostate cancer through urine metabolomic signatures: A large-scale validated studyhttps://doi.org/10.1186/s12967-023-04424-9Prostate cancer affects over 1 million men a year and there are currently no accurate markers for predicting potentially lethal prostate cancer before biopsy. This study aimed to develop urine tests to predict clinically significant prostate cancer in men at risk. The Wiley Registry 11th Edition and other databases were used to identify metabolites in urine samples for further marker panel selection. Using this information, three models were developed for predicting benign vs. cancerous cases and insignificant vs. significant prostate cancer. These models were found to predict significant prostate cancer based on the National Comprehensive Cancer Network guidelines with very high accuracy, thereby informing the necessity of biopsy in men with an elevated risk of prostate cancer.Metabolomics
Potential Ameliorative Effect of Propolis Against the Developmental Toxicity Induced by Oxaliplatin in Albino Rats Prior and During Pregnancyhttps://dx.doi.org/10.21608/ejz.2023.231135.1103Chemotherapeutic drugs such as oxaliplatin are often used in cancer therapy to treat different tumors, but use of these either prior to or during pregnancy can lead to health issues in the mother and their offspring. Propolis, a resinous product collected by bees from plants, is known to have a protective effect against medication toxicity. The Wiley Registry 9th Edition and other databases were used to identify the components of the propolis extract. It was found that coadministration of propolis with oxaliplatin can significantly reduce the histopathological alterations in renal and spleen tissues caused by oxaliplatin, potentially owing to the antioxidant influence of propolis.Pharmaceutical
Repellent effects of Chinese cinnamon oil on nymphal ticks of Haemaphysalis longicornis, Rhipicephalus haemaphysaloides, and Hyalomma asiaticumhttps://doi.org/10.1007/s10493-023-00855-7Ticks can cause diseases in non-human vertebrates and are ranked second to mosquitoes as a vector of human pathogens. DEET is the gold standard repellent but can be a potential risk to human health. The repellent activity of Chinese cinnamon oil against nymphal ticks was studied. The oil’s components were identified using the Wiley Registry 7th Edition. Tests were conducted at varying oil concentrations and observations were made at increasing time intervals. Chinese cinnamon oil was found to have a strong repellent activity against ticks, comparable to that of DEET, offering a safer repellent alternative.Agriculture
Phytochemical discrimination of Pinus species based on GC–MS and ATR-IR analyses and their impact on Helicobacter pylorihttps://doi.org/10.1002/pca.3028Pinus plant species have been used in traditional medicine for the treatment of several ailments. This study aimed to investigate their anti-Helicobacter pylori activity. More than half of the world’s population is infected with Helicobacter pylori and there is an association of this organism with the development of gastric cancer. The Wiley Registry of Mass Spectral Database 8th Edition and other databases were used to identify components, found to be various organic compounds with monoterpenes as the major class. The compounds were tested against a refence strain of H. pylori, where four volatile oils of pine showed promising inhibitory effect on H. pylori growth.Pharmaceutical
Comparative Chemical Composition and Acetylcholinesterase (AChE) Inhibitory Potential of Cinnamomum camphora and Cinnamomum tamalahttps://doi.org/10.1002/cbdv.202300666Cinnamomum species have applications in the pharmaceutical and fragrance industry for wide biological and pharmaceutical activities. This study investigated the chemical composition of the essential oils extracted from two species of Cinnamomum, namely C. tamala and C. camphora and studied their acetylcholinesterase inhibitory activity. The Wiley Registry of Mass Spectral Database 8th Edition and other databases were used to identify components of the extracts, found to be various compounds with phenylpropanoids and oxygenated monoterpenes as the major classes. The compounds were evaluated as acetylcholinesterase inhibitors and showed that Cinnamomum oils are potential candidates for further clinical studies.Pharmaceutical
Simultaneous choice bioassays accompanied by physiological changes identify civetone and decanoic acid as pheromone candidates for giant pandashttps://doi.org/10.1002/zoo.21532Chemicals present in urine of the solitary giant panda (Ailuropoda melanoleuca) are thought to play an important role in mate identification. During breeding season, females will deposit chemical signals to advertise receptivity to potential mates. The goal of this study was to determine if specific volatile compounds found in female urine could be considered as pheromones that elicit behavioral and physiological responses in males. The Wiley Registry 10th Edition/NIST 2012 Mass Spectral Library and other databases were used to identify components of the urine. Experimental simultaneous choice trials were conducted with captive male giant pandas. Androgen levels were significantly elevated (p < .05) in one male after exposure to 1H-pyrrole-2-carboxaldehyde, decanoic acid, and civetone. These data suggested that civetone and decanoic acid in female urine may motivate sexual responses in males.Zoology

Compatibilité

Compatible avec la plupart des systèmes actuels et existants de données de spectrométrie de masse. Pour consulter toutes les informations relatives à la compatibilité, veuillez visiter compatibilité.