Finding Chemical Spectra and Spectral Data
Mass Spectra
- Atlas of spectral data and physical constants for organic compounds.
- see entry in GENERAL SOURCES section.
- CRC Handbook of mass spectra of drugs.
- RS 189 C7 (CRC, 1981)
- Tables and spectra. Main spectra section is arranged by base peak in ascending order; not otherwise indexed.
- CRC handbook of mass spectra of environmental contaminants.
- TD 193 H57 1992 (2nd ed., CRC, 1992)
- 533 common pollutants, indexed by name, CAS Registry Number, molecular weight, and spectral peaks.
- Eight peak index of mass spectra.
- QC 454 M3 E5 1991 (4th ed., RSC, 1991, 3 vols. in 7)
- Eight most abundant ions in 81,000+ mass spectra, indexed by molecular weight, elemental composition, and mass-to charge ratio of the eight most abundant ions. Each entry also provides the relative intensities of the eight most abundant ions plus the parent ion, molecular formula, compound name, CAS registry number when available, and the code for the source spectrum.
- Encyclopedia of mass spectrometry.
- QD 96 M3 E63 2003 (Elsevier, 2003- )
- Planned ten-volume collection of articles.
- EPA/NIH mass spectral database.
- QC 100 U573, no.63 (4 vols, supplements, index; U.S. National Bureau of Standards, 1978-80)
- Compiled by the NBS, this collection contains over 25,000 verified mass spectra in bar graph format, with CA index name, molecular formula, mol. wt., structural formula, and registry number. Arranged by increasing mol. wt. The index volume covers the set and its first supplement, by name, formula, mol. wt., and registry number. (Supplement 2 is on microfiche.) This set was later revised as and superseded by the Wiley/NBS registry of mass spectral data (see below).
- Handbook of data on organic compounds. (HODOC)
- see entry in GENERAL SOURCES section.
- Index of mass spectral data.
- QC 454 M3 A47 1969 (ASTM, 1969)
- Index of 8000 mass spectra from the ASTM Committee E-14. Data consist of six strongest peaks and their relative intensities. Indexes by molecular weight and the six descending peaks.
- Ion mass spectra.
- QC 454 M3 M54 (Wiley, 1974)
- Tabulation of ion mass spectra for 100 elements and compounds ionized in a low-voltage ion source. Index of ions on pages 25-27.
- Mass spectra of designer drugs : including drugs, chemical warfare agents, and precursors.
- RM 316 M377 2007 (2 vols.)
- Mass spectral and GC data of drugs, poisons, pesticides, pollutants, and their metabolites.
- RS 189 P425 1992 (4 vols., 2nd ed., Wiley VCH, 1992-2000)
- Over 6400 mass spectra.
- Mass spectrometry desk reference.
- QD 96 M3 S73 2000 (Global View, 2000)
- Concise reference for newcomers and practitioners.
- NIST/EPA/NIH Mass Spectral Database
- Evaluated collection of nearly 130,000 electron-ionization mass spectra, with structures. Available only on workstations in the libraries.
- TRC / API-44 Selected mass spectral data.
- Spectra Reference
- Use the TRC Comprehensive Index to locate spectra in this set.
- Wiley/NBS registry of mass spectral data.
- QC 454 M3 M395 1989 (7 vols., 2nd ed., Wiley, 1989)
- Spectra are arranged in order of increasing molecular weight, then by molecular formula. Indexes in vol. 7 for compound names, molecular formulas, and CAS registry numbers. No peak indexes. This set is a revision and expansion of the NIH/EPA mass spectral database published by the NBS 1978-80.
--Polymers and Macromolecules 
--Biological Compounds 
- Restricted to UT-Austin users 
