Mass Spectral Libraries (NIST 17 and Wiley Libraries)
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, flavorsand fragrances.
>> Email us discuss your library needs.
- NIST 17
- Wiley Registry 11th
- NIST GC ’17
- Wiley Lipids Mass Spectral Database
- Wiley Pesticides Mass Spectral Library with LRI, 2nd Edition
- Wiley Designer Drugs
- Wiley Flavors/Fragrances (FFNSC)
- Wiley Drugs/Poisons/Pesticides/Pollutants & Metabolites
- Wiley FAMEs Fatty Acid Methyl Esters: Mass Spectral Database
- Wiley Physiologically Active Substances (drugs, steroid hormones, and endocrine disruptors)
- Wiley Pesticides (Rolf Kühnle)
- Wiley Androgens/Estrogens/Steroids
- Wiley Organic Compounds
- Wiley Geochemicals/Petrochemicals/Biomarkers
- NIST MSMS ’17
- Wiley LC-HR-MS/MS Library of Drugs, Poisons and Their Metabolites
- Wiley METLIN Mass Spectral Database (Scripts)
- Wiley Tandem MSMS (MSforID)
- Online Wiley Database Search
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 | 2017-10 | 1007924 | 652475 | 404045 |
| Wiley Lipids Mass Spectral Database | 2017 NEW | 430 | ||
| Wiley Pesticides Mass Spectral Library with LRI, 2nd Edition | 2017 NEW | |||
| Wiley Designer Drugs | 2019-04 NEW | 28032 (includes ~500 CI) | 18017 | |
| 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 Androgens/Estrogens/Steroids | 2008 | 3722 | ||
| Wiley Organic Compounds | 2004 | 37055 | ||
| Wiley Geochemicals/Petrochemicals/Biomarkers | 2003 | 1100 | ||
| 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 | ||
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) |