概述
光谱数据领域的领导者倾力打造
必备气相色谱-质谱数据库，助您自信开展光谱分析
这一备受信赖的资源库现推出最新版本，扩大了化合物的覆盖范围，最大程度提高鉴定成功率Wiley
经过实地检验和验证的 Wiley 质谱数据库（Wiley Registry of Mass Spectral Data）继续为全球各大实验室提供强力支持。这一必备质谱数据库现推出 2023 版，可提供 873,000 多条光谱，扩大了覆盖范围，进一步加快您的工作流程。该数据库数据全面，专为多种应用而设计，从非靶向气相色谱-质谱筛选到使用飞行时间质谱仪进行的精确质谱工作流程，均有覆盖，确保您的实验室即使在要求最为苛刻的应用中，也能底气十足地获得光谱搜索结果。
- 广泛覆盖各类化合物，用于靶向和非靶向分析——借助全面的数据集，提高鉴定速度和成功率。
- 2023 版本扩大了全球专利的覆盖范围，囊括美国、中国、日本和欧洲，确保您的实验室掌握最新的专利信息。
- 光谱记录包含其他可搜索信息，如物理性质、结构和 DOI（如有），有助于进一步缩小结果范围。
- 数据由 Wiley 的内部和外部专家精心汇编和审核，确保符合质量标准，为您提供值得信赖的结果。
- 光谱经过严格细分，列入独立的数据库，其中包括额外的复制光谱，从而在各类实验室环境中均可展现强大的搜索性能。
作为所有气相色谱-质谱分析实验室的基础工具，此光谱库一直是实验室的“标杆”，随着 Wiley 不断致力于提供相关的高质量数据资源，这一“标杆”不断向前迈进，满足当今日益增长的研究需求。
此光谱库适用于最常见的仪器制造商专用格式，是任何实验室进行气相色谱-质谱分析的必备数据库。
现已纳入 KnowItAll 订阅，方便您能在重大版本更新之后持续访问新数据。
库技术指标
| 计数 | 相比先前版本新增量 | |
| 气相色谱-质谱光谱 | 873,300 | +56,000 |
| 可搜索结构 | 841,100 | +56,000 |
| 独特化合物 | 741,000 | +50,000 |
| 复制光谱 | 201,000 | +35,000 |
| 估计 Kovats 保留指数 | 738,400 | +50,000 |
此版本有哪些新增功能？
此数据库会不断演进，因此请确保您的实验室使用最新版本。
充分利用 2023 版的所有优势：
- 新增 50,000 多种独特化合物和 56,000 多条光谱。
- 扩大了世界专利和同行评议文献的覆盖范围，包括文章来源的数字对象标识符。数据来源还包括合作伙伴实验室。
- 所有光谱都有一个质量指数，可以调整搜索，排除低于质量指数阈值的光谱。
- Wiley 数据库现已纳入 KnowItAll 订阅，以便您能在重大版本更新之后持续访问新数据。
科学文献中的用例
Here are a few of the many examples of how scientists use the Wiley Registry across various applications from the literature.
| Article Title | DOI Link | Summary | Application Area |
| Circulating levels of butyrate are inversely related to portal hypertension, endotoxemia, and systemic inflammation in patients with cirrhosis | https://doi.org/10.1096/fj.201901327R | Short-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 mildew | https://doi.org/10.1016/j.scitotenv.2021.146767 | Biogenic 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 content | https://doi.org/10.1007/s00217-023-04304-y | Spontaneous 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 extract | https://doi.org/10.1038/s41598-023-43749-9 | Fungicides 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 study | https://doi.org/10.1186/s12967-023-04424-9 | Prostate 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 Pregnancy | https://dx.doi.org/10.21608/ejz.2023.231135.1103 | Chemotherapeutic 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 asiaticum | https://doi.org/10.1007/s10493-023-00855-7 | Ticks 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 pylori | https://doi.org/10.1002/pca.3028 | Pinus 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 tamala | https://doi.org/10.1002/cbdv.202300666 | Cinnamomum 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 pandas | https://doi.org/10.1002/zoo.21532 | Chemicals 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 |
兼容性
兼容大多数新版和旧版质谱数据系统。有关兼容性的全部信息，请访问兼容性。