Wiley Registry/NIST Mass Spectral Library 2023

Technik: GC-MS-Spektrendatenbanken, LC-MS-Spektrendatenbanken

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Wiley Registry/NIST Massenspektrenbibliothek 2023 ist die umfassendste kombinierte Massenspektrenbibliothek, die auf dem Markt erhältlich ist. Mit mehr als 3 Millionen Spektren (einschließlich EI- und Tandem-MS-Daten) ist sie die erste Wahl für die allgemeine Identifizierung unbekannter Verbindungen. Die breite und aktuelle Verbindungsabdeckung ermöglicht die Identifizierung in vielen unterschiedlichen Anwendungsfällen und bei unterschiedlichsten Analyten.

Hier sind nur einige der Gründe, warum die Version 2023 von Wiley Registry / NIST Bibliothek eine unentbehrliche Ressource für jedes Labor ist, das MS-Analysen durchführt:

  • Breites Spektrum an Verbindungen für zielgerichtete und nicht zielgerichtete Analysen – umfassende Daten erhöhen sowohl die Geschwindigkeit als auch die Wahrscheinlichkeit der Identifizierung.
  • Erweiterte Abdeckung von Weltpatenten, einschließlich USA, China, Japan und Europa in der Version 2023, damit Ihr Labor auf dem neuesten Stand bleibt.
  • Die Spektrensätze enthalten zusätzliche, suchbare Angaben, wie etwa physikalische Eigenschaften, Strukturen und DOIs, wo verfügbar, um das Suchergebnis weiter einzugrenzen.
  • Die Daten werden von internen und externen Experten von Wiley sorgfältig kuratiert und überprüft, damit gewährleistet ist, dass sie den Qualitätsstandards entsprechen und Sie sich auf die Ergebnisse verlassen können.
  • Die Spektren werden in separate Bibliotheken aufgeteilt, einschließlich einer Bibliothek für überschüssige Replikatspektren, was eine robuste Suche in verschiedenen Labor-Settings ermöglicht.
  • Erhältlich in den gängigsten Herstellerformaten für Kompatibilität ohne Fragezeichen.
  • Umfasst NIST 2023 Software (MS Search, AMDIS, MS-Interpretation), damit Ihr Labor immer die neuesten Analysetools zur Verfügung hat.

Wiley Registry/NIST Massenspektrenbibliothek ist ein überaus hilfreiches Instrument für jedes Labor, das GC-MS- oder MS-MS-Analysen durchführt, und gilt als Laborstandard, der mit Wileys fortgesetztem Bemühen um die Bereitstellung relevanter Datenressourcen hoher Qualität ständig weiterentwickelt wird, um den kontinuierlich wachsenden Forschungsanforderungen von heute gerecht zu werden.

Spezifikationen der Bibliothek

DatentypenGC-MS-DatenTandem-MS (MS/MS)-Daten
Wiley Registry/NIST 2023*NIST/EPA/NIH 2023
Spektren1 180 8002,3M+
Chemische Strukturen1 148 6001,4M+
Individuelle Verbindungen950 20051 500
Ionen399 200

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

Was ist neu in dieser Ausgabe?

Machen Sie sich die Vorteile der Ausgabe 2023 dieser kombinierten Kollektion zunutze:

Stellen Sie sicher, dass Ihr Labor mit der neuesten Version dieser sich ständig weiterentwickelnden Sammlung auf dem neuesten Stand ist.

  • Ergänzung von über 74 000 individuellen Verbindungen und über 91 900 Spektren.
  • Jetzt auch als KnowItAll-Abonnement erhältlich, das fortgesetzten Zugang zu neuen Daten im Wiley Registry zwischen den größeren Ausgaben gewährt.

Wiley Registry der Massenspektrendaten 2023 – Neue Funktionalitäten

  • Erweiterte Abdeckung von Weltpatenten und referierter Literatur, einschließlich DOIs zu den Originalartikeln. 
  • Allen Spektren wurde ein Qualitätsindex zugewiesen. Daher können bei der Suche Spektren unterhalb eines Qualitätsindex-Schwellenwertes ausgeschlossen werden.

NIST / EPA / NIH Massenspektrenbibliothek 2023 – Neue Funktionalitäten

  • Ergänzt um AI-RI-Werte für alle EI-Daten.
  • Die MS-MS-Bibliothek umfasst im Vergleich zur Version 2020 um 60 % mehr Verbindungen, also mittlerweile 51 000 Verbindungen und mehr als 399 000 Vorläuferionen.

Use Cases aus der Literatur

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

Kompatibilität

Kompatibel mit den meisten aktuellen und älteren Massenspektrometrie-Datensystemen. Ausführliche Angaben zur Kompatibilität finden Sie unter kompatibilität.