概述
光谱数据领导者倾力打造
必备气相色谱质谱库，实现可靠的光谱分析，最大限度提升实验室效率
Wiley Registry of Mass Spectral Data 经过了实践的重重检验，并将始终如一地为全球各大实验室赋能。这一 2023 年版本的关键质谱数据库汇集了 873,000 多条质谱数据，扩大了覆盖范围，可以进一步加快了您的工作流程。
该数据库专为多种应用而设计，从非靶标气相色谱质谱筛选到使用飞行时间质谱仪器的精确质量工作流程，即使在要求最苛刻的应用中，也能让您对实验室光谱搜索结果放心无忧。
此光谱库可以作为任何气相色谱质谱分析实验室的基础性工具，一直以来都是各大实验室的标配，通过不断发展，满足当今日益增长的研究需求，矢志不渝地为科研工作者提供相关的高质量数据。
全面的化合物分析。 | 卓越的质量和细节。 | 无缝衔接。 |
化合物范围广，可提高靶标和非靶标分析的识别速度和识别能力。 |
数据由专家策划和审核。含可用元数据（性质、结构、DOI 等）。 |
兼容各大供应商，方便您在现有工作流程中轻松使用。查看支持的仪器格式。 |
现在还可订阅 KnowItAll，方便您在下一次重要版本发布之前继续访问新数据
- 订阅后，您可以在 Wiley Registry 中访问新增的关键数据。
- 无需等待下一次重要版本更新，让您的实验室随时可以访问最新数据！
- 最近一次更新增加了 2 万+条光谱，数据库光谱总量达到 89.5万+条。了解更多。
请一定记得订阅，以便您独享最新数据。
应用领域
本数据库集资源极为全面，可在以下各类应用中通过质谱对化合物进行分析、鉴定、分类和验证，可靠性极高：
- 环境
- 法医学
- 毒理学
- 制药
- 代谢组学
- 生物技术
- 食品与化妆品
- 国防与安全
- 其他众多领域
可信来源，可靠数据
Wiley 是光谱数据的权威来源。我们的数据库享誉世界，根据严格的协议进行处理，确保达到最高质量标准。鉴定程序从数据采集开始，贯穿整个数据库开发过程。我们的数据来自值得信赖的合作伙伴，他们提供的任何数据在纳入我们的数据集之前都要经过彻底审查。
库技术指标
Wiley Registry 现已加入 KnowItAll 订阅，方便您在下一次重要版本发布之前继续访问新数据！
| 数据类型 | 光谱数量 | |
| Wiley Registry 2023 | Wiley Registry 订阅 (截至 2024 年 6 月） | |
| 气相色谱-质谱光谱 | 873,300 | 895,700 |
| 可搜索结构 | 841,100 | 863,500 |
| 独特化合物 | 741,000 | 759,100 |
| 估计 Kovats 保留指数 | 738,400 | 757,100 |
特征
广泛覆盖各类化合物，用于综合分析中的靶向和非靶向分析。
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。加入复制光谱有助于提升不同实验室环境和仪器间特定化合物的检出率。
消除仪器兼容性方面的不确定性。 Wiley Registry 支持最常见的制造商格式。
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
- 兼容最常见的仪器制造商格式。查看支持的供应商格式
- 还可通过订阅 KnowItAll，与Wiley 的 KnowItAll 软件配合使用，该软件支持多种仪器供应商格式