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谱图数据库

· 质谱:Mass Spectrometry Database,American Academy of Forensic Sciences
This library is a "subset" of one that has been compiled over a period of many years by Dr. Graham Jones and colleagues in Edmonton, Alberta, Canada. Pure drug spectra, plus a few breakdown products and pure metabolite standards have been edited i ... http://www.ualberta.ca/~gjones/mslib.htm

· 有机化合物数据库Organic Compounds Database, Virginia Tech
This 2483 compound database has been compiled by Harold M. Bell at Virginia Tech. Literature Sources for Data Physical Properties A1: American Petroleum Institute. Research Project 44, "Selected Values of Properties of Hydrocarbons and R ... http://www.colby.edu/chemistry/cmp/cmp.html

· 英国化学数据服务中心CDS (Chemical Database Service)
The Chemical Database Service (CDS) provides on-line access to a variety of quality databases in the field of Chemistry, plus support, training and advice. This is available (free of charge) to "academics" at UK Universities. Databases on the W ... http://cds.dl.ac.uk/cds/cds.shtml

· 应用化学数据库 Chemistry Databases, Changchun Institute of Applied Chemistry
碳－13核磁共振波谱数据库系统始建于1982年,它是国内第一个比较大型的碳-13 NMR谱图数据库系统，主要用于有机化合物结构的自动解析。数据类型包括各类有机化合物的碳-13 NMR谱图数据,如天然产物,金属有机化合物, 毒物等各类化合物。数据项包括化合物名称、分子式、化 ... http://www.appchem.csdb.cn/

· 小型光谱数据库下载Optical Databases Download Page
Here you will find collections of spectra, each contained in SpecManager databases for optical spectroscopy. Ludmila Tumanova's collection of quantitative IR (13 entries) and FT-IR (2 entries) http://www.acdlabs.com/download/db/uv_ir.html

· 糖类(碳水化合物)拉曼谱图库SPECARB (Raman Spectra of Carbohydrates)
SPECARB is an experimental database containing Raman spectra of carbohydrates. It is intended to contain solid state Raman spectra of carbohydrates from the monomers and their derivatives to complex polysaccharides. Unless otherwise stated, the sp ... http://newton.foodsci.kvl.dk/users/engelsen/specarb/specarb.html

· 生物技术中的质谱仪器相关资源
Provides reference materials for scientists working with mass spectrometry in the biotechnology industry. http://www.ionsource.com/

· 穆斯堡尔效应参考数据库 (Mossbauer Effect Reference Database)
The Mossbauer Effect Reference Database is a machine-readable version of the bibliographical information published in the Mossbauer Effect Reference And Data Journal. The journal is published ten times a year by the Mossbauer Effect Data Centre, a ... http://www.mimas.ac.uk/scientific/merd/

· 有机化合物结构光谱解析
This online workbook has been developed for senior undergraduate and graduate students learning to solve the structures of organic compounds from spectroscopic data. Most problems contain an IR spectrum (film or KBr pellet), a 500 MHz 1H NMR spect ... http://www.nd.edu/~smithgrp/structure/workbook.html

· 美国一些实验室测定的分子的晶体结构数据Reciprocal Net
The Reciprocal Net is a distributed database used by research crystallographers to store information about molecular structures. Much of this data is also available to the general public. The Reciprocal Net project is still under development. http://www.reciprocalnet.org/index.html

· 美国标准与技术研究院NIST 双原子光谱数据库
This database was funded [in part] by NIST's Standard Reference Data Program (SRDP) and by NIST's Systems Integration for Manufacturing Applications (SIMA) Program. http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html

· 检索质谱文献库Mass Spectrometry Bulletin
该库是英国皇家化学会的质谱文献库，该库不提供文献摘要，而提供标题、文献源和索引词。索引词中包括了化合物名称、分子式和离子，以便于质谱图的检索。MSB每月从800多种杂志、会议文集、专利及技术报告中选择约500条记录入库，目前库中包含自1989年以来的文献80000条。 http://www.rsc.org/is/database/msbhome.htm

· 挥发性有机物质谱数据(Collection of mass spectra of Volatile Organic Compound)
Mass Spectra were acquired in EI mode with a Saturn 2000 Ion Trap in the range m/z 40-400. These VOC Mass Spectra are published here as supplementary material for the paper "Solid-Phase Microextraction (SPME)-GC/MS Analysis of Volatile Organic Com ... http://www2.unibo.it/analitica-gc-ms/SpectraVoc/index.html

· 傅里叶变换红外光谱仪FTIR、拉曼光谱检索
FTIRsearch.com is a unique web site dedicated to providing analytical chemists with on-line access to high quality FTIR and Raman spectral libraries. The database has over 87,000 FTIR and Raman spectra. https://ftirsearch.com/

· 复杂碳水化合物谱图库(Proton NMR、GC-EIMS)
Databases: Proton NMR Spectra of Xyloglucans This Data Base consists of a searchable table of the 1H-NMR chemical shifts of xyloglucan oligoglycosyl alditols. Oligosaccharide subunits of xyloglucans were generated by endoglucanase treatment ... http://www.ccrc.uga.edu/web/specdb/specdbframe.html

· Wiley Registry of Mass Spectral Data, 7th Edition (质谱数据库)
The 7th edition of the Wiley Registry of Mass Spectral Data is an expansion of the 6th Edition reference library by over 110,000 new chemical spectra. http://www.wiley.com/go/databases

· SweeT-DB (糖类化合物数据库)
Sweet-DB includes: about 50,000 carbank entries more than 22,000 carbohydrate structures 15,000 publications about 1,000 pubilcations collected via Auto-Sweet-DB about 10,000 spatial representations generated with sweet. http://www.dkfz-heidelberg.de/spec/sweetdb/

· Spectra Online,Galactic (红外谱图)
FTIRsearch.com is a unique web site dedicated to providing analytical chemists with on-line access to high quality FTIR and Raman spectral libraries. http://www.ftirsearch.com/

· Spectra Heap (光谱分析数据库软件)
Spectra Heap's main function includes: About 100 000 spectral lines arranged by element and by wavelength Emission lines of 98 chemical elements from Hydrogen to Einsteinium Selected lines, most important in practical applications Only ex ... http://www.spectraheap.com/

· science-softCon UV/Vis Spectra Data Base (紫外/可见光谱图)
The science-softCon UV/Vis Spectra Data Base service was established in August 2000 and is subdivided into a Literature Service and a Spectra Service (see spectra-info). http://www.science-softcon.de/frame-e.html

· Sadtler红外谱图数据库检索(世界上最大的红外谱图库)
Bio-Rad's Informatics Division has the world's largest collection of IR data in the world of over 220,000 spectra of pure organic and commercial compounds。 There are 363364 entries in 84 database categories. http://www.bio-rad.com/ir.html

· Sadtler(萨特勒)红外光谱数据库联网检索
该中心拥有的Sadtler(萨特勒)红外光谱数据库共计13万3仟多张，其中凝聚相纯化合物标准红外光谱库74126张，气相纯化合物标准红外光谱库9350张，其余的按化合物类型和用途分类如下： 农业化学，粘合剂，多元醇，表面活性剂，聚合物，高聚物裂解产物，Georgia犯罪库 ... http://www.microchem.org.cn/hwjs.htm

· Sadtler Spectral Handbooks(Sadtler 谱图手册)
The Sadtler Standard GC Retention Index Library Since its inception, gas chromatography has been one of the most important and commonly used techniques available for quantitative analysis. In addition, it is used extensively for the confirmatio ... http://www.bio-rad.com/

· NIST/EPA/NIH质谱库
This database is the product of a multiyear, comprehensive evaluation and expansion of the world's most widely used mass spectral reference library. http://www.nist.gov/srd/nist1a.htm

· NIST/EPA/NIH Mass Spectral Library (147,198个化合物谱图)
The NIST/EPA/NIH Mass Spectral Library is the product of a multiyear, comprehensive evaluation and expansion of the world's more widely used mass spectral reference library. The database now includes 147,198 compounds with spectra, 27,750 Replicat ... http://www.nist.gov/srd/nist1a.htm

· MOlecular GAsphase DOCumentation (MOGADOC, 分子气相微波、电子衍射、分子放射天文)
a powerful tool for scientists all over the world to retrieve information about gas phase investigations. Covering both laboratory and astronomical literature it provides the user with a fast and easy access to literature of either field. So it is ... http://www.uni-ulm.de/strudo/mogadoc/

· Marinlit (海洋天然产物文献数据库)
Marinlit is a database of the marine natural products literature. In addition to the usual bibliographic data, the database contains an extensive collection of keywords, trivial names, compound information including structures, formulae, molecular ... http://www.chem.canterbury.ac.nz/research/marinlit.htm

· Indiana Dynamics Database (IDD)
The purpose of this database is to collect and analyze NMR derived dynamics parameters for biomolecules. This web site is meant to act as a submission tool to submit the data as well as a site to view the results of the study. http://stonelab.chem.indiana.edu/dynamics_database.htm

· Handbook of Fluorescent Probes and Research Chemicals
The Handbook of Fluorescent Probes and Research Chemicals contains up-to-date background and technical information on Molecular Probes' complete product line. This Web Edition of the Handbook is an updated version of the Seventh Edition. http://www.probes.com/handbook/

· FTNMR Spectra in NUTSTM Format
The FTNMR FID archive (see below) lists a number of 13C, 1H, and APT free induction decay files in Nuts format (a Windows NMR off-line data processing program). Most of these files are also available on another page of the Archive in Felix for Win ... http://rainier.chem.plu.edu/nutsform.html

· FT-IR Library of David Sullivan
These spectra were taken by David Sullivan from his research at UT-Austin. http://www.che.utexas.edu/~dls/ir/ir_dir.html

· FDM的参考谱图库(主要是红外谱FTIR)
Fiveash Data Management, Inc., 4926 Ascot Lane, Suite 1, Madison, WI 53711, USA http://www.fdmspectra.com/

· FBI FT-IR Fibers Library (Spectrochimica Acta)
This data is a collection of FT-IR spectra of fibers. These spectra were measured as part of an FBI project to determine the usefulness of FT-IR spectral library searching algorithms for identification of fibers. The results and discussion were pu ... http://spectra.galactic.com/spconline/sources.htm

· Elemental Data Index (元素的物理数据)
The Elemental Data Index provides access to the holdings of NIST Physics Laboratory online data organized by element. http://physics.nist.gov/PhysRefData/Elements/cover.html

· ECDYBASE (The Ecdysone Handbook)
The " Ecdysone Handbook " was originally created by René Lafont and Ian D. Wilson and published in 1992 by the Chromatographic Society (Nottingham, U.K.). Its aim was to provide general data on all natural ecdysteroids described so far. Each data ... http://ecdybase.org/

· Bio-Rad推出可检索80万张谱图的Internet版数据库
Bio-Rad Laboratories, Inc. announced on March 9, 2004 the introduction of a new Internet-based client-sever platform designed for high-speed searching of more than 800,000 spectra. With this new platform, users now have the option to access K ... http://www.spectroscopynow.com/Spy/basehtml/SpyH/1,1181,4-1-1-0-0-news_detail-0-3173,00.html

· Atomic Line List (原子吸收、发射性能数据)
This is a compilation of approximately 923,000 allowed, intercombination and forbidden atomic transitions with wavelengths in the range from 0.5 ? to 1000 μm. It's primary intention is to allow the identification of observed atomic absorption or ... http://www.pa.uky.edu/~peter/atomic/

· AntiBase (微生物、高等真菌)
The complete database of all known (approximately 30,000) natural compounds from micro-organisms and higher fungi. An essential tool for pharmaceutical scientists involved in the development and discovery of new antibiotic compounds. All data has ... http://www.wileyeurope.com/WileyCDA/WileyTitle/productCd-0471468401.html

· ACD/Web Librarian环境下的色谱应用数据库
The Public Chromatography Applications Database under ACD/Web Librarian contains applications provided by Agilent, Alltech, Eprogen (Eichrom), GL Sciences, Hamilton, Argonaut (Jones Chromatography), Polymer Laboratories, and Regis. The database ca ... http://www2.acdlabs.com/ilab/

· ACD/I-Lab (NMR谱预测、物性预测、化合物系统命名自动生成)
ACD/I-Lab is an Internet-based service for instant access to chemical databases and property predictions programs. With I-Lab access, you can obtain NMR spectra, get systematic chemical names and predict properties such as pKa or LogP for their ch ... http://www.acdlabs.com/ilab/

· Absorption or Emission spectra of elements from the University of Oregon
Absorption or Emission spectra of elements from the University of Oregon. Select an element from the Periodic Table, and it will show either the absorption or emission spectrum. If you click on the spectral image, you can discover the exact wave n ... http://jersey.uoregon.edu/elements/Elements.html

· 日本丰桥大学 Jinno实验室的研究数据库
Data items are compound identifications including 2Dstructure, Chromatogram, UV spectrum, Physical Properties for all compounds in different database categories. Database categories: Liquid Chromatography Data Base Polycyclic Aromatic Hy ... http://chrom.tutms.tut.ac.jp/JINNO/ENGLISH/RESEARCH/research.html

· 美国标准与技术研究院NIST原子光谱数据库(ASD)
The Atomic Spectra Database (ASD) contains data for radiative transitions and energy levels in atoms and atomic ions. Data are included for observed transitions of 99 elements and energy levels of 52 elements. ASD contains data on about 900 spectr ... http://physics.nist.gov/cgi-bin/AtData/main_asd

· KnowItAll Informatics System 2.0
HaveItAll IR Datasheet HaveItAll IR puts the world's largest infrared spectral collection of over 220,000 spectra of pure organic and commercial compounds all on one CD for secure searching from your desktop. HaveItAll MS Datasheet http://www.bio-rad.com/

· HaveItAll IR(Sadtler IR谱图库光盘)
With HaveItAll IR, now you can have all the infrared data you've always wanted. HaveItAll IR puts the world's largest infrared spectral collection of over 180,000 spectra at your fingertips — with more than 90,000 spectra of pure compounds and ov ... http://www.bio-rad.com/

· EPA spectral database
EPA Reference Absorbance Spectra The Clean Air Act Amendments (CAAA) was published in November 1990. Title III of the Clean Air Act includes a list of 189 hazardous air pollutants (HAPS) for which test methods must be established. An extractive ... http://www.epa.gov/ttn/emc/ftir/data.html

· Aldrich Spectral Viewer (FT-IR、FT-NMR谱图库光盘)
The Aldrich Spectral Viewer is an electronic reference book on CD-ROM that contains thousands of actual spectra from the Aldrich spectral libraries. This program is more powerful than a printed book, allowing text and data field searching and th ... http://www.sigmaaldrich.com/Brands/Aldrich/Spectral_Viewer.html

· 物性、质谱、晶体结构数据库(Kelvin, Dalton, Angstrom), JST
This is an experimental distribution of Japan Science and Technology Corporation. The publications JST got the permission to include some portions of them into the databases are shown below. You are refered to the copyright notices appearing in ... http://factrio.jst.go.jp/

· 上海有机化学所:化学数据库
收录了1,200,000多个化合物，多库融合检索平台将多个不同类型，不同结构，不同软件支持的本地及异地数据库置于一个统一检索平台，使用户可以同时从各个不同数据库检索信息，也可以只选择一个数据库进行检索。通过全结构检索，子结构检索以及模糊结构检索可查出目标化 ... http://202.127.145.134/scdb/

· 美国印地安那大学测试的X光衍射晶体结构数据
This is one of the many sites in the Reciprocal Net Site Network and is operated by the Indiana University Molecular Structure Center. Detailed crystallographical data of 1348 samples wrer available for browse or search at the end of 2002. http://bl-chem-iumsc110.chem.indiana.edu/recipnet/index.jsp

· 粉末衍射模式数据库PowBase (Powder Patterns Database)
PowBase is a "minimum database" of constant wavelength powder patterns. The data files (zipped) contain either a CIF file or a .dat file (the latter can be viewed by WinPLOTR, option INSTRM=0). The search output produces entry numbers with hyp ... http://sdpd.univ-lemans.fr/powbase/

· SDBS: NIMC有机物谱图库，日本
National Institute of Materials and Chemical Research (NIMC) Tsukuba, Ibaraki 305-8565, Japan NMR: K.Hayamizu, M.Yanagisawa and O.Yamamoto MS: N.Wasada ESR: K.Someno IR: K.Tanabe and T.Tamura Raman: K.Tanabe and J.Hiraishi http://www.aist.go.jp/RIODB/SDBS/menu-e.html

· ChemExper化学品目录CDD
The database contains currently more than 70 000 chemicals, 16000 MSDS, 5000 IR spectra and more than 20 suppliers. It is the only chemical database that lets you SUBMIT your own data! http://www.chemexper.be/

· BioMagResBank (BMRB): 多肽、蛋白质、核酸等的核磁共振数据存储库
BioMagResBank (BMRB) is the publicly-accessible depository for NMR results from peptides, proteins, and nucleic acids recognized by the International Society of Magnetic Resonance and by the IUPAC-IUBMB-IUPAB Inter-Union Task Group on the Standard ... http://www.bmrb.wisc.edu/

· NIST Chemistry WebBook
The November 1998 release of The NIST WebBook is the fifth edition of the NIST Chemistry WebBook. It contains thermochemical data for over 5000 organic and small inorganic compounds, reaction thermochemistry data for over 8000 reactions, IR spectr ... http://webbook.nist.gov/chemistry

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