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- Wiley MS Libraries (This Page)
We have mass spectral libraries!
- Identify unknown compounds from EI (GC/MS) and MS/MS spectra by library searching our mass spectral databases.
- Hundreds of thousands of spectra. EI MS spectra, MS/MS spectra, GC data & retention indices, and/or chemical names/structures
- World's most widely used and trusted mass spectral reference libraries.
- Search software included (used by all libraries).
- Supports most MS software systems (Agilent ChemStation/MassHunter, Thermo Xcalibur, Shimadzu GCMS Solutions, Waters MassLynx, Thermo Xcalibur, PE TurboMass, etc.).
- We have many libraries:
- NIST 17 is our recommended base library, large, general purpose, strongly evaluated, and purchased by most customers. NEW: NIST 2017 Release!
- The Wiley Registry is the the world's largest EI MS library, general in purpose, and optionally combined with NIST MS.
- Other Wiley specialty libraries focus on specific classes of compounds like drugs, pesticides, flavors and fragrances.
- Call or e-mail us to discuss your library needs.
- NIST 17 Get new licenses for NIST mass spectral library, EI MS spectra, MS/MS, GC data here. Includes electron ionization (EI) data, AMDIS software. Standard, Agilent, Shimadzu, Multiformat available.
- Wiley Registry 11th Wiley Registry 11th Mass Spectral Library. The world's largest MS library. Optionally combined with NIST.
- NIST GC '17 A library of 99,400 chemical compounds analyzed by gas chromatography, including 404,045 GC method and retention index citations from literature.
- Wiley Lipids Mass Spectral Database Description by Luigi Mondello, July 2016 Lipids are one of the major constituents of food and they have an essential role in human diet, metabolism, physiological and pathological processes. Many lipids compounds present very similar mass spectra, therefore mass spectra supported by chromatographic is fundamental for correct compound identification in the research field. The Lipids Mass Spectral Database gives significant support for peak assignment in complex mixtures making it a valuable tool...
- Wiley Pesticides Mass Spectral Library with LRI, 2nd Edition Description (July 2016) by Prof Luigi Mondello Pesticides and agrochemicals are widely used in the production of large-scale agriculture. Their determination is essential for consumer’s health protection. Mass spectrometry is the most important technology for pesticide analysis and the Pesticides Library provides significant support for peak assignment in complex mixtures. The Mass Spectra of Pesticides with Retention Indices, 2nd Edition, contains 1,300 pesticide molecules classified in 20 d...
- Wiley Designer Drugs Identify designer drugs by EI mass spectra. Designer drugs are often illicit, synthesized from common chemicals, novel to evade detection, and skillfully marketed under attractive, often exotic names.
- Wiley Flavors/Fragrances
(FFNSC)EI mass spectra with GC linear retention indices (LRI), enabling more reliable complex mixtures of flavors and fragrances even where they have identical spectra.
- Wiley Drugs/Poisons/Pesticides/Pollutants & Metabolites The world's most comprehensive reference for clinical and forensic toxicologists is keeping pace with recent developments in clinical and forensic toxicology. Mass spectral (EI) and GC data library.
- Wiley FAMEs Fatty Acid Methyl Esters: Mass Spectral Database Fatty acids are important compounds in food analysis since they are sample-specific.
- Wiley Physiologically Active Substances
(drugs, steroid hormones, and endocrine disruptors)Steroids are of considerable therapeutic importance and play a substantial role in endocrinology, a medicine branch dealing with disorder of the endocrine system, an integrated system of small organs that involve the release of extracellular signaling molecules known as hormones.
- Wiley Pesticides (Rolf Kühnle) EI mass spectra of pesticides. A pesticide is any substance or mixture of substances intended for preventing, destroying, repelling, or mitigating any pest.
- Wiley Androgens/Estrogens/Steroids This newly expended collection contains 3722 mass spectra and chemical structures of androgens and estrogens and their trimethylsilyl-, O-methoxyoxime- and acetal derivatives.
- Wiley Organic Compounds The collection contains 37,055 mass spectra of organic compounds.
- Wiley Geochemicals/Petrochemicals/Biomarkers Database featuring 1,100 mass spectra of well-defined compounds, for the organic, geo-, and/or petrochemist.
- NIST MSMS '17 A library of 193,164 MS/MS spectra of 41,475 ions, obtained from ion trap, collision cell, and HCD (orbitrap) instruments. This is a subset of the full NIST 14 MS library, containing only the MS/MS data and search software.
- Wiley LC-HR-MS/MS Library of Drugs, Poisons and Their Metabolites Description by Hans H. Maurer, Dirk K. Wissen, Armin A. Weber, June 2018 A major goal in clinical and forensic as well as in doping laboratories is a broad screening procedure for detection of toxic compounds or drugs of abuse. In addition to GC-MS and LC-MSn screening techniques, LC-high-resolutiontandem mass spectrometry (LC-HR-MS/MS) provides various advantages for screening approaches such as higher versatility, sensitivity and specificity. The Maurer/Meyer/Helfer/Weber LC-HR-MS/MS Library ...
- Wiley METLIN Mass Spectral Database
(Scripts)METLIN is a feature-rich, comprehensive metabolite and tandem mass spectrometry database designed for untargeted metabolomic analysis
- Wiley Tandem MSMS
(MSforID)Contains 10,000 positive and negative mode tandem MS/MS spectra of over 1200 compounds of interest for forensics, toxicology, and pathology.
- Online Wiley Database Search Check whether a certain compound or class of compound exists within the NIST 17 or Wiley databases.
Available Wiley and NIST libraries include
|Library Name||Date||EI MS spectra||MS/MS spectra||GC and retention index records|
|EI MS Libraries (70 eV electron ionization, MS, GC/MS)|
|NIST MS '17 (recommended base library)||2017-06 NEW||306622||652475||404045|
|NIST GC '17 (GC data only from NIST MS)||2017-06||404045|
|Wiley Registry 11th||2016-03||775550|
|Wiley Registry 11th+NIST17 combined
|Wiley Lipids Mass Spectral Database||2017 NEW||430|
|Wiley Pesticides Mass Spectral Library with LRI, 2nd Edition||2017 NEW|
|Wiley Designer Drugs||2018-04 NEW||26459 (includes ~500 CI)||17114|
|Wiley Flavors/Fragrances (FFNSC)||2015||3000||Yes|
|Wiley Drugs/Poisons/Pesticides/Pollutants & Metabolites (Maurer/Pfleger/Weber)||2017 NEW||10430||Yes|
|Wiley FAMEs Fatty Acid Methyl Esters: Mass Spectral Database||2011||240||YES|
|Wiley Physiologically Active Substances (drugs, steroid hormones, and endocrine disruptors)||2011||4182|
|Wiley Pesticides (Rolf Kühnle)||2009||1238|
|Wiley Organic Compounds||2004||37055|
|Tandem MS/MS Libraries (ESI/LC/QqQ/MSn/...)|
|NIST MS '17 (recommended base library)||2017-06 NEW||306622||652475||404045|
|NIST MSMS '17 (only MS/MS spectra from NIST MS)||2017-06 NEW||652475|
|Wiley LC-HR-MS/MS Library of Drugs, Poisons and Their Metabolites (Maurer/Meyer/Helfer/Weber)||2018-06 NEW||>5,000|
|Wiley METLIN Mass Spectral Database (Scripts)||2017 NEW||>72000 + 699,500 in silico (+ NISTMSMS)|
|Wiley Tandem MSMS (MSforID)||2012||12048|
|Mass Spectra of Pharmaceuticals and Agrochemicals 2006, by Rolf Kühnle, ISBN: 978-3-527-31615-1, has been superseded by Mass Spectra of Pesticides.
NIST17 supersedes NIST14.
|Chart lists number of spectra or data records for each library.|
and search software:
|Program Name||Included with||Purpose|
|NIST MS Search||NIST17 and Wiley databases||EI MS, structural, and some GC and MS/MS matching against libraries; browsing, PBM, structural, and PBM search of the multiple libraries|
|NIST AMDIS||NIST17 and free||GC/MS data reading, viewing, deconvolution, and target identification; integrated with NIST MS Search|
|NIST GC software||NISTGC||GC data lookup (specialized version of NIST MS Search enhanced for GC)|
Search for Compound Existence in Databases
You can use the Online Wiley Database Search to determine which Wiley MS databases contain a given compound.