A GUIDE TO FINDING SPECTRA
This guide is an annotated list of material held by the UBC Library that contains spectral
data, or that comprises or includes indexes to spectral data. Some Internet sources are
also included.
The list is arranged in groups. First, sources are organized into sections by spectroscopic
technique, and then into subsections by chemical class. Sources that list chemicals
generally are given in decreasing order of the number of spectra they contain. Sources in
subsections relating to specific chemical classes are listed alphabetically, in order of
chemical category.
Most entries for individual works describe the format (graphs, tables, etc.) and explain
any other indexes or special features included, besides the usual alphabetical and
molecular formula indexes.
This guide is derived from a user aid prepared by Ruth Coman, Science Reference
Library, British Library in 1977.
CONTENTS:
Compendia of spectral data
Nuclear Magnetic Resonance
A. Proton magnetic resonance
B. C-13 magnetic resonance
Electron Spin Resonance
Infrared
Raman
Ultraviolet
Mass
Emission
Other
Further information
COMPENDIA OF SPECTRAL DATA
Indexes and bibliographies:
ZQC 451 B758 1977, Sci & Eng Reference
Coman, R. A guide to the published collections of spectral data held by the SRL.
London: Science Reference Library, 1977.
Describes works published before 1977. Extensive, based on the collection at the British
Library. Organized by spectral methods and types of substances.
QD 95 M311 1974, Sci & Eng Reference
Comprehensive index of API-44 and TRC selected data on thermodynamics and
spectroscopy. 2nd ed. Texas College Station, 1974.
Comprehensive index to all UV, IR, Raman, NMR and mass spectra published by the
American Petroleum Institute Research Project 44 and the Thermodynamics Research
Center Data Project in Spectral data. To look up a compound, consult the index for the
desired compound, note the index code letter for the type of spectra and the spectra
number, and choose the appropriate folder.
Collections of spectral data of various types:
QD 95 M3 1959, Sci & Eng Reference
Spectral Data. Texas A&M University, Thermodynamics Research Center, 1959Five types of spectra: UV-visible, IR, Raman, NMR, and mass spectra, primarily for
hydrocarbons important in the chemical industry, and shelved in loose-leaf folders.
Access is through the formula index on green pages in each folder, or us the
Comprehensive index of API-44 and TRC selected data on thermodynamics and
spectroscopy, which indexes the entire series. Folders are coded according to type of
spectra: Infrared (index code B); ultraviolet (index code C); Raman (index code D); mass
(index code E); and NMR (index code F).
Organic compounds (excluding hydrocarbons), inorganic compounds from lighter
elements; ca. 61,000.
Graph form.
http://www.aist.go.jp/RIODB/SDBS/menu-e.html
SDBS: Integrated spectral database for organic compounds. National Institute of
Materials and Chemical Research, Japan.
Organic compounds; 30,000.
MS, 13C NMR, 1H NMR, ESR, IR and Raman spectral data.
QD 255.5 E4 P76 CD-ROM, Sci & Eng Reference
Properties of organic compounds. CRC Press. Boca Raton, Fla.: CRC Press, 1996.
Organic compounds; 27,500.
“Provides physical property and spectral data for over 27,500 organic chemical
compounds. Data may be accessed by substructure searches, physical property searches,
spectral peak searches, or any combination thereof.”
QD 291 G738 1975 V. 1-6, Sci & Eng Reference
Grasselli, Jeanette G. Atlas of spectral data and physical constants for organic
compounds. 2nd ed. Cleveland: CRC Press, 1975.
Organic compounds; 21,000
Tabulated data for IR, Raman, NMR, and mass spectra from various published
collections. Volume 1 contains name/synonym directory, structures, and spectroscopic
aids; volumes 2-4 contain data tables; volumes 5-6 have indexes of molecular weight,
physical constants, Wiswesser Line Notations etc.
http://www.spectra.galactic.com/spconline
Spectra online is “a free searchable database containing over 6,000 spectra of IR, MS,
NMR (proton, carbon and other nuclei), UV/VIS and NIR spectra. Pure compounds
include chemical formula, CAS number, chemical name, chemical structures (you will
need MDL’s Chime plug-in to view chemical structures).”
QC 462.85 T313 1989, Sci & Eng Reference
Pretsch, Erno. Tables of spectral data for structure determination of organic compounds.
2nd ed. Berlin; New York: Springer-Verlag, 1989.
NMR, 13C, Infrared, Mass, UV-visible data and their correlation and molecular
structures. Name index.
NUCLEAR MAGNETIC RESONANCE SPECTRA
Indexes and bibliographies:
QD 291 H6 1965, Main Library
Howell, M.G. et al. Formula index to NMR literature data. New York: Plenum Press,
1965.
Organic compounds; 8,500
With references to 1962.
ZQC 451 A1 N8 1965, Sci & Eng Reference
Herschensen, Herbert N. Nuclear magnetic resonance and electron spin resonance
spectra: index for 1958-1963. New York: Academic Press, 1965.
Organic and inorganic compounds; 8,000
Collections of NMR spectral data:
A.
Proton magnetic resonance
QC 762 P69 1974 V. 1-11, Sci & Eng Reference
Pouchert, C.J. and John R. Campbell. The Aldrich library of NMR spectra. Milwaukee:
Aldrich Chemical Co., 1974.
Organic compounds; 10,500
Each volume contains particular classes of compounds having similar structural features
and arranged in order of increasing complexity. Sub-arrangement of spectra facilitates
correlation of structural features with spectral patterns. Cumulative molecular formula
index and cumulative name index in volume 11.
QC 762 C43 1974, Main Library
Chamberlain, Nugent F. The practice of NMR spectroscopy: with spectra-structure
correlations for hydrogen-1. New York: Plenum Press, 1974.
Organic compounds; 10,000
Tabulated chemical shift and coupling constant correlations.
QD 291 G738 1975, Sci & Eng Reference
Grasselli, Jeanette G. Atlas of spectral data and physical constants for organic
compounds. 2nd ed. Cleveland: CRC Press, 1975.
Organic compounds; 7,639
Molecular weight index; melting point index; boiling point index; chemical structure and
sub-structure index; IR-NMR cross correlation tables; chemical shift indexes; numerical
index of source curves.
QC 762 B6 1967; Sci & Eng Reference
Bovey, F.A. NMR data tables for organic compounds. New York: Interscience, 1967.
Organic compounds; 4,230
Lists shifts, multiplicities, coupling and includes references to original literature.
Formula index.
QC 770 A665 1977, Main
Hickmott, P.W. “NMR data on organic carbonyl complexes (1965-1971).” IN: Annual
reports on NMR spectroscopy, v. 6C. London: Academic Press, 1977.
Organic compounds; ca. 3,000.
Arranged by metal and subdivided by carbonyl groups. Lists chemical shifts, coupling
constants, and original references.
QD 95 M3 1959 V. 5-7, Sci & Eng Reference
Selected nuclear magnetic resonance spectral data, 40/60 MHz. TRC Data Project 44.
Texas: Thermodynamics Research Center, 1959Organic compounds (excluding hydrocarbons), inorganic compounds from lighter
elements; 1118.
Graph form
QD 95 M3 1959 V. 8-10, Sci & Eng Reference
Selected nuclear magnetic resonance spectral data, 100 MHz. TRC Data Project 44.
Texas: Thermodynamics Research Center, 1959-
Organic compounds (excluding hydrocarbons), inorganic compounds from lighter
elements; 735.
Graph form
QD 496 O73 M42, Main Library
Organic magnetic resonance. Spectral supplement. London: Heyden, 1969Organic compounds; 718+
Graph form.
QD 95 M3 1959 V. 11, Sci & Eng Reference
Selected nuclear magnetic resonance spectral data, 300 MHz. TRC Data Project 44.
Texas: Thermodynamics Research Center, 1959Organic compounds (excluding hydrocarbons); 345.
Graph form.
QC 490 S55 1978 V. 1-2, Main Library
The Sadtler handbook of proton NMR spectra. William W. Simons (ed.). Philadelphia:
Sadtler, 1978.
Proton NMR spectra arranged according to the functional groups of the corresponding
compounds. Indexes include chemical names and chemical shifts.
B.
Carbon-13 nuclear magnetic resonance
QC 463 A8 S5 1979, Sci & Eng Reference
Shamma, M. and Hingenlang, D.M. Carbon 13 NMR shift assignments of amines and
alkaloids. New York: Plenum Press, 1979.
Amines, alkaloids; 687.
QD 411 M355 1981, Sci & Eng Reference
Mann, Brian E. 13C NMR data for organometallic compounds. London: Academic
Press, 1981.
Organometallic compounds; ca. 6,500.
Arranged by type of metal.
QC 462 C1 B73 V. 1-3, Sci & Eng Reference
Breitmeier, E. et al. Atlas of carbon-13 NMR data. London; New York: Heyden, 1974Organic compounds; 3,000.
Cumulative indexes for molecular weight, molecular formula, chemical class, name, and
chemical shift.
QD 291 G738 1975, Sci & Eng Reference
Grasselli, Jeanette G. Atlas of spectral data and physical constants for organic
compounds. 2nd ed. Cleveland: CRC Press, 1975.
Organic compounds; 783
Molecular weight index; melting point index; boiling point index; chemical structure and
sub-structure index; IR-NMR cross correlation tables; chemical shift indexes; numerical
index of source curves.
QD 462 C4 J64 1972, Main Library
Johnson, L.F. and W.C. Jankowski. Carbon-13 NMR spectra: a collection of assigned,
coded, and indexed spectra. New York: Wiley-Interscience, 1972.
Organic compounds; 500
Arranged by molecular formula. Functional group index; chemical shift index.
QC 462 C3 S86 1972
Stothers, J.B. Carbon-13 NMR spectroscopy. New York: Academic Press, 1972.
Organic compounds; 300
Classified sequence; tabulated C-13 shieldings.
http://science.widener.edu/svb/nmr/known_gif.html
NMR data of known compounds. Scott E. Van Bramer. Widener University, Chester Pa.
Organic compounds; ca. 15 13C and 1H spectra.
QD 411 M355 1981, Sci & Eng Reference
Mann, B.E. and B.F. Taylor. 13C NMR data for organometallic compounds. London:
Academic Press, 1981.
Organometallic compounds.
Chemical shift data, with original literature references. Arranged by ligand type, then
metal, further by ligand or metal oxidation state if necessary.
QD 181 P1 A15 1983, Sci & Eng Reference
13C nuclear magnetic resonance spectral data of heterocyclic phosphorus compounds.
Duke University, Paul M. Gross Chemical Laboratory. College Station:
Thermodynamics Research Center; Texas A&M University, 1983.
Phosphorus compounds; 74.
Graph form.
http://www.acornnmr.com/database.htm
Public database of NMR spectra. Acorn NMR Inc. , Livermore, Calif.
ca. 30 13C and 1H spectra.
C.
Fluorine-19 NMR spectral data:
QC 770 A665 1980, Main
Wray, V. “Fluorine-19 nuclear magnetic resonance spectroscopy (1976-1978). IN:
Annual reports on NMR spectroscopy, v. 10B. London: Academic Press, 1980.
Fluorine compounds; ca. 6,000.
Lists chemical shifts, coupling data and original references. Arranged by chemical class,
and by molecular formula within each class.
QC 462 F5 D8 1970, Main Library
Dungan, C.H. and J.R. Van Wazer. Compilation of reported F-19 NMR chemical shifts,
1951 to mid-1967. New York: Wiley-Interscience, 1970.
Flourine compounds; 4,700
Lists chemical shifts, and original references. Arranged by chemical class.
Indexes and bibliographies of specific chemical classes:
QD 421 H55 1964, Woodward Library
Hesse, M. Indolalkaloide in Tabellen. Berlin: Springer, 1964.
Indole alkaloids; 450
QD 411 L:53 1971, Sci & Eng Reference
Licht, K. and P. Reich. Literature data for IR, Raman, NMR spectroscopy of Si, Ge, Sn
and Pb organic compounds. Berlin: Deutscher Verlag der Wissenschaften, 1971.
Silicon, germanium, tin and lead, organic compounds; 2,000
Collections of NMR spectral data of specific chemical classes:
http://bocwww.chem.ruu.nl/sugabase/sugabase.html
SUGABASE. Dept. of Bioorganic Chemistry, Utrecht University, The Netherlands.
Carbohydrates.
QD 441 M18 1970, Woodward Library
Mabry, T.J. et al. The systematic identification of flavenoids. New York: SpringerVerlag, 1970.
Flavonoids (mainly as trimethyl silyl ether derivatives); 128
Graph form.
QC 762 P75, Main Library
Emsley, J.W. and L. Philips. “Flourine chemical shifts.” IN: Progress in nuclear
magnetic resonance spectroscopy, Vol. 7. Oxford; New York: Pergamon, 1971.
Flourine compounds (organic and inorganic); 3,553
Tabulation of chemical shifts. Classified sequence.
QC 463 H4 B37 1973, Main Library
Batterham, T.J. NMR spectra of simple heterocycles. New York: Wiley, 1973.
Heterocyclic compounds; ca. 3,000
Tabulated data; classified sequence. Includes references.
QC 453 Y35 1970, Sci & Eng Reference
Yamaguchik, K. Spectral data of natural products. New York; Amsterdam: Elsevier,
1970.
Natural products; 343
QV 740 AA1 A534, Woodward Library
Florey, K. Analytical profiles of drug substances and excipients. San Diego: Academic
Press, 1992Earlier title: Analytical profiles of drug substances.
Pharmaceuticals; ca. 550+
Graph form.
QC 770 A665, Main Library
Mavel, G. “NMR studies of phosphorus compounds 1965-1969.” IN: Annual reports on
NMR spectroscopy, Vol. 5B. London: Academic Press, 1972.
Phosphorus compounds (organic and inorganic); 4,500
Tabulated chemical shifts.
QD 181 P1 T65, Main Library
Crutchfield, M.H. et al. “P-31 nuclear magnetic resonance.” IN: Topics in phosphorus
chemistry, Vol. 5. New York: Interscience, 1967.
Phosphorus compounds (organic and inorganic); 3,250
Tabulated chemical shifts; classified sequence.
QC 462 P1 C72 1991, Sci & Eng Reference
Tebby, J.C. CRC handbook of phosphorus 31 nuclear magnetic resonance data. Boca
Raton, Fla.: CRC Press, 1991.
Phosphorus compounds.
Tabulated chemical shifts. Includes bibliographical references.
QD 139 P6 S52 1973, Sci & Eng Reference
Simons, W.W. and M. Zanger. The Sadtler guide to the NMR spectra of polymers.
Philadelphia: Sadtler Research Laboratories, 1973.
Polymers and monomers; 236
Graph form; classified sequence; chemical shift index.
QD 401 F937 1975, Main Library
Furhop, J.H. and K.M. Smith. Laboratory methods in porphyrin and metalloporphyrin
research. Amsterdam: Elsevier, 1975.
Porphyrins and metallo-porphyrins; 250
Tabulated chemical shifts; classified sequence.
QC 463 S8 N4 1965, Sci & Eng Reference
Neudert, W. and H. Ropke. Steroid-spektrenatlas. Atlas of steroid spectra. Berlin; New
York: Springer-Verlag, 1964.
Steroids; 95
Graph form; index of total number of CH3, CH2 and CH groups.
QD 181 S1 A55, Main Library
Chamberlain, N.F. and J.J.R. Reed. “Nuclear magnetic resonance data of sulfur
compounds.” IN: The analytical chemistry of sulfur and its compounds, Pt. III. New
York: Wiley-Interscience, 1971.
Sulphur compounds (organic); 1,393
Tabulated data. Chemical classes index; structure index.
QC 463 T4 N53 1973, Sci & Eng Reference
Yukawa, Y. and S. Ito. Spectral atlas of terpenes and the related compounds. Tokyo:
Hirokawa, 1973.
Terpenes; 113
Graph form.
ELECTRON SPIN RESONANCE SPECTRAL DATA
Indexes and bibliographies:
ZQC 451 A1 N8 1965, Sci & Eng Reference
Hershenson, H.M. Nuclear magnetic resonance and electron spin resonance spectra.
Index for 1958-63. New York: Academic Press, 1965.
Paramagnetic compounds, organic ions and free radicals; ca. 1,000
Collections of ESR spectral data:
QC 762 A85 1967, Sci &Eng Reference
Bielski, B.H.J. and J.M. Gebicki. Atlas of electron spin resonance spectra. New York:
Academic Press, 1967.
Paramagnetic compounds; 1,290
Graph form; splitting constants
QC 61 L332, Sci & Eng Reference
Fisher, H. “Magnetic properties of free radicals.” IN: Numerical data and functional
relationships in science and technology. New series. Group 2, vol. 1. Berlin: SpringerVerlag, 1961Inorganic and organic free radicals and radical ions; ca. 1,000
Tabulated data; classified sequence.
QD 95 A1 A4513 1963, Main Library
Lebedev, Y.S. et al. Atlas of electron spin resonance spectra. New York: Consultants
Bureau, 1963.
Theoretical spectra for hyperfine, symmetrical structures; 429
Graph form.
QD 471 S535 1988, Sci & Eng Reference
Shida, T. Electronic absorption spectra of radical ions. Amsterdam: Elsevier, 1988.
Ca. 800.
Graph form. Classified sequence.
Collections of ESR spectral data of specific chemical classes:
QC 61 L332, Sci & Eng Reference
Konig, E. “Magnetic properties of coordination and organo metallic transition metal
compounds.” IN: Numerical data and functional relationships in science and technology.
New series. Group 2, vol. 2.
Transition metal compounds; ca. 7,000
Tabulated data.
QC 762 A42 1974, Main Library
Al’tshuler, S.A. and Kozyrev, B.M. Electron paramagnetic resonance in compounds of
transition elements. 2nd rev. ed. New York: Wiley, 1974.
Transition metal compounds; ca. 3,500
INFRARED SPECTRAL DATA
Indexes and bibliographies:
ZQD 95 A44 1969, Sci & Eng Reference.
Molecular formula list of compounds, names and references to published infrared spectra:
an index to 92,000 published infrared spectra. Philadelphia: American Society for
Testing and Materials, 1969.
Organic and inorganic compounds; 92,000.
ZQD 95 A441 1969, Sci & Eng Reference
Alphabetical list of compound names, formulae and references to published infrared
spectra. Philadelphia, American Society for Testing and Materials, 1969.
Organic and inorganic compounds; 92,000.
Compound name index.
ZQC 451 A1 I6, Sci & Eng Reference
Infrared absorption spectra: index, 1945-57 and index 1958-62. New York: Academic
Press, 1945-57Organic and inorganic compounds; 36,000.
Compound name index.
ZQC 457 B525 1976, Sci & Eng Reference
Bibliography of infrared spectroscopy through 1960. Washington, D.C.: National
Bureau of Standards, 1976.
Organic and inorganic compounds, polymers, minerals and ores; ca. 25,000
ZQC 457 G68 1960, Sci & Eng Reference
An index of published infrared spectra. London: H.M. Stationary Office, 1960.
Organic and inorganic compounds; 10,000
Collections of infrared spectral data
QD 291 G738 1975, Sci & Eng Reference
Grasselli, J.G. and W.M. Ritchey. Atlas of spectral data and physical constants for
organic compounds. Cleveland: CRC Press, 1975.
Organic compounds; 13,894.
Molecular weight index; melting point index; boiling point indes; chemical structure and
substructure index (Wiswesser Line Notation); wave number indexes; numerical index of
source curves.
QC 457 A43 1975, Sci & Eng. Reference
Pouchert, C.J. The Aldrich Library of FT-IR spectra. 2nd ed. Milwaukee: Aldrich
Chemical Co., 1975.
Organic compounds; 8,000.
Spectra arranged in order according to functional groups and chemical categories.
Contains descriptions and graphs of the main features of spectra of important functional
groups. Chemical name and molecular formula indexes.
http://webbook.nist.gov/chemistry
NIST Chemistry WebBook. M.J. Mallard, general editor. National Institute of Standards
and Technology. Nov. 1998 Release. (NIST Standard Reference Database Number 69)
5,000 gas phase IR spectra.
Access by: Name, molecular formala, partial formula, CAS registry number, molecular
weight.
QC 453 S73 1978, Sci & Eng Reference
Simons, William W. The Sadtler handbook of infrared spectra. Philadelphia: Sadtler,
1978.
Organic compounds; 3,000.
IR grating spectra arranged in chemical class order. Each class has a table of correlaitons
and absorption band locations. Brief descriptions of various kinds of vibrations of C-H
linkages. Chemical name index.
QC 457 S69 1994, Main
Socrates, G. Infrared characteristic group frequencies: tables and charts. New York:
Wiley, 1994.
QC 457 P6 1971, Main
Pinchaus, S. and I. Laulicht. Infrared spectra of labelled compounds. London:
Academic Press, 1971.
Spectroscopy of radioactive tracers. Classified sequence.
QC 462.5 H343 1991, Main
Linvien, D. The handbook of infrared and Raman characteristic frequencies of organic
molecules. Boston: Academic Press, 1991.
Organic compounds;
QC 457 M4 1965, Sci & Eng Reference
Mecke, R. and F. Langenbucher. Infrared spectra of selected chemical compounds.
London: Heyden, 1965.
Organic and inorganic compounds; 1,883.
Graph form.
ZQC 457 B45 1968, Sci & Eng Reference
Bentley, F.F. et al. Infrared spectra and characteristic frequencies ~700-3,000 cm-1: a
collection of spectra, interpretation and bibliography. New York: Interscience, 1968.
Organic and inorganic compounds; 1,566.
Graph form. Classified sequence; band frequency index; correlation tables.
QD 95 M3 1959 V. 14-16, Sci & Eng Reference
Selected infrared spectral data. TRC Data Project 44. Texas: Thermodynamics
Research Center, 1959Organic compounds (excluding hydrocarbons), inorganic compounds from lighter
elements; 1,530.
Graph form.
QC 457 D18 1972, Sci &Eng Reference
Luff, Norman A.J. DMS working atlas of infrared spectroscopy. London: Butterworths,
1972.
Organic compounds; 800.
Graph form.
QD 95 S97, Woodward Library
Szymanski, H.A. Selected infrared spectra. New York: Plenum Press, 1964Organic compounds; 666.
Graph form. Classified sequence; band frequency correlation.
QC 457 W44 1970, Sci & Eng Reference
Welti, D. Infrared vapour spectra. London: Heyden; Philadelphia: Sadtler, 1970.
Organic compounds (vapour phase); 306.
Includes molecular formula index to all vapour spectra in major published collections of
reference spectra.
QC 454 A2 A28, Sci & Eng Reference
Lang, L. Absorption spectra in the infrared region. London: Butterworths, 1970Organic and inorganic compounds; 300+
Graph form. Classified sequence; author index.
http://www.che.utexas.edu/~dls/ir/ir_dir.html
Sullivan, David. David Sullivan FT-IR Library. University of Texas. 1998.
ca. 100 FT-IR spectra.
QC 879.6 C17 1981, Sci & Eng Reference
Murcray, D.G. and A. Goldman.
CRC handbook of high resolution infrared laboratory spectra of atmospheric interest.
Boca Raton, Fla.: CRC Press, 1981.
Organic and inorganic compounds; 56.
Graph form.
Correlation tables:
QC 457 S98 1970 V. 1-2, Sci & Eng Reference
Szymanski, H.A. and R.E. Erickson. Infrared band handbook. New York: Plenum
Press, 1970.
Organic and inorganic compounds; 3,000.
Compounds listed in order of frequency of absorption bands with structure and references
to original literature given for each entry. Spectra of specific compounds accessed by
molecular formula index in volume 2.
QC 457 M5, Sci & Eng Reference
Miller, R.G.J. and H.A. Willis. IRSCOT: infrared structural correlation tables. London:
Heyden, 1964Organic compounds
A tool for correlating a peak with a functional group. Can be used to identify unknowns
or to interpret the spectrum of a known compound. Index volume explains how to use
the tables, and references to best sources in original literature are given.
QC 457 D64 1977, Sci & Eng Reference
Dolphin, David and Alexander Wick. Tabulation of infrared spectral data. New York:
Wiley, 1977.
Changes in characteristic group frequencies. Does not include spectra, except for spectra
of common solvents given in last chapter. Wave number-micron conversion table on
back fly-leaves. Classified sequence.
Indexes and bibliographies of specific chemical classes:
QD 421 H55 1964, Woodward Library
Hesse, M. Indolalkaloide in Tabellen. Berlin: Springer, 1964, 1968.
Idole alkaloids; ca. 600.
.ZQE 369 L96 1962, Main
Lyon, R.J.P. Minerals in the infrared: a critical bibliography embracing the fields of
absorption, reflection, emission, transmission in minerals and related materials. Calif.:
Stanford Research Institute, 1962.
Minerals.
QD 411 L53 1971, Sci & Eng Reference
Licht, K. and P Reich. Literature data for IR, Raman, NMR spectroscopy of Si, Ge, Sn
and Pb organic compounds. Berlin: Deutscher Verlag der Wissenschaft, 1971.
Silicon, germanium, tin and lead organic compounds; ca. 5,000.
Collections of IR spectral data of specific chemical classes:
QC 463 A5 H65 1965, Sci & Eng Reference
Holubek, J. and O. Strouf. Spectral data and physical constants of alkaloids. Prague:
Publishing House of the Czechoslovak Academy of Sciences; London: Heyden, 1965Alkaloids; 1,000.
Botanic species index.
QV 350 U42 1978, Woodward Library
Umezawa, H. Index of antibiotics from actinomycetes. 2nd ed. Tokyo: Japan Scientific
Societies Press, 1978.
Antibiotics from actinomycetes; ca. 650
Graph form. Index of producing organisms.
QD 321 Z4513 1966, Main Library
Zhbankov, R.G. Infrared spectra of cellulose and its derivatives.
Cellulose and cellulose derivatives; 210.
Graph form. Classified sequence.
TP 811 M35 1976, Main Library
Van der Marel, H.W. and H. Beutelspacher. Atlas of infrared spectroscopy of clay
minerals and their admixtures. Amsterdam; New York: Elsevier Publishing, 1976.
Clay minerals and admixtures; 1,500.
Graph form. Classified sequence.
QC 463 E68 B4 1971, Sci & Eng Reference
Bellanato, J. and A. Hidalgo. Infrared analysis of essential oils. London: Heyden;
Philadelphia: Sadtler, 1971.
Essential oils and essential oil components; 210.
Graph form. Classified sequence (by source for oils, and by chemical class for
components)
QC 457 N927 1997 V. 1-4, Sci & Eng Reference
Nyquist, Richard A. et al. Handbook of infrared and Raman spectra of inorganic
compounds and organic salts. San Diego: Academic Press, 1997.
Inorganic compounds; ca. 450.
Graph form. Correlation charts; classified squence; numerical index. V. 4 has title:
Infrared spectra of inorganic compounds (3800-45cm –1)
QD 95 F47 1971, Main
Ferraro, R.J. Low frequency vibrations of inorganic and coordination compounds. New
York: Plenum Press, 1971.
Metallic oxides, coordination compounds.
Classified sequence.
QD 96 I5 G3 1975 Sci & Eng Reference
Gadsen, J.A. Infrared spectra of minerals and related inorganic compounds. London:
Butterworths, 1975.
Minerals and other related inorganic compounds; 700.
Tabulated data. Classified sequence. Contains IR band tables for over 600 minerals and
100 other related inorganic compounds, with references to original literature. Also
includes references to a further 550 minerals and inorganic compounds.
Subject/chemical and mineral indexes.
QE 369 S65 I54 1974, Main
Farmer, V.C. The infrared spectra of minerals. London: Mineralogical Society, 1974
(Monograph / Mineralogical Society of Great Britain; no. 4).
Minerals; 739.
QC 453 Y35 1970, Sci & Eng Reference
Yamaguchi, K. Spectral data of natural products. Amsterdam; New York: Elsevier,
1970.
Natural products; ca. 3,000.
Tabulated data. Classified sequence; index and plant and animal names.
QD 475 A55 1967, Main
Adams, D.M. Metal-ligand and related vibrations: a critical survey of the infrared and
Raman spectra of metallic and organometallic compounds. New York: St. Martin’s
Press, 1968.
Organometallic compounds; complex compounds.
Classified sequence. Includes correlation tables.
QC 463 O72 A8513 1990; Sci & Eng Reference
Shagidulllin, R.R. and A.N. Pudovik. Atlas of IR spectra of organophosphorus
compounds. Moscow: NAUKA, 1990.
Organophosphorus compounds; 600.
TP 691 O38 1985, Main
Coates, John P. Oils, lubricants and petroleum products: characterization by infrared
spectra. New York: M. Dekker, 1985.
Petroleum products;
QC 453 S273 V. 1-3, Woodward Library
Pharmaceutical spectra: infrared. Philadelphia: Sadtler Research, 1966.
Pharmaceuticals; 600.
Graph form.
QV 25 S8 1963, Woodward Library
Sunshine, I. and S.R. Gerber. Spectrophotometric analysis of drugs including atlas of
spectra. Springfield, Ill.: Thomas, 1963.
Pharmaceuticals; 150.
Graph form.
QV 25 C22 1981, Woodward
Sunshine I. CRC Handbook of spectrophotometric data of drugs. CRC Press, 1981.
Pharmaceuticals; 154.
Name index.
QV 740 AA1 A534 V. 1-21, Woodward Library
Florey, K. Analytical profiles of drug substances and excipients. San Diego: Academic
Press, 1992Earlier title: Analytic profiles of drug substances.
Pharmaceuticals; ca. 550+
Graph form. Vibrational spectroscopy of phosphorus compounds.
QD 95 A87 1972, Woodward Library
Infrared and ultraviolet spectra of some compounds of pharmaceutical interest. Rev. ed.
Washington, D.C.: Association of the Office of Official Analytical Chemists, 1972.
Pharmaceuticals; 691.
QD 181 P1 A56 1972, Main
Nyquist, R.A. and W.J. Potts. “Vibrational spectroscopy of phosphorus compounds.”
IN: Analytical chemistry of phosphorus compounds. New York: Wiley-Interscience,
1972.
Phosphorus compounds (organo-phosphorus pesticides); 30
Graph form.
QD 139 P6 H813, Sci & Eng Reference
Hummel, D.O. and F. Scholl. Infrared analysis of polymers, resins and additives: an
atlas. Vol I: Plastics, elastomers, fibers and resins. Vol II: Additives and processing aids.
New York: Wiley-Interscience, 1969.
Polymers, resins, raw materials, degradation products and additives; 2,908.
Graph form. Classified sequence. Chemical substance index.
TP 1140 H3 1972, Main
Haslam, J. et al. Identification and analysis of plastics. 2nd ed. London: Iliffe, 1972.
Polymers (synthetic); 330.
Graph form.
TP 156 P6 H8 1966, Main
Hummel, D.O. Infrared spectra of polymers in the medium and long wavelength regions.
New York: Interscience, 1966.
Plymers and resins; 192
Graph form.
QC 463 S8 N4 1965, Sci & Eng Reference
Neudert, W. and H. Ropke. Steroid-spektrenatlas. Atlas of steroid spectra. Berlin; New
York: Springer_Verlag, 1965.
Steroids; 900.
Graph form. Classified sequence.
QC 463 S8 D6 V. 1-2, Sci & Eng Reference
Dobriner, K. et al. Infrared absorption spectra of steroids: an atlas. New York:
Interscience, 1953.
Steroids; 760.
Graph form. Functional group index.
QD 271 H813 1962 V. 1-2, Main
Hummel, D.O. Identification and analysis of surface active agents by infrared and
chemical methods. New York: Interscience, 1962.
Surface active agents; 466.
Graph form. Classified sequence.
QC 463 T4 N53 1973, Sci & Eng Reference
Yukawa, Y. and S. Ito. Spectral atlas of terpenes and the related compounds. Tokyo:
Hirokawa, 1973.
Terpenes; 111.
Graph form.
RAMAN SPECTRAL DATA
Indexes and bibliographies:
QD 411 L53 1971, Main
Licht, K. and P. Reich. Literature data for IR, Raman, NMR spectroscopy of Si, Ge, Sn
and Pb organic compounds. Berlin: Deutscher Verlag der Wissenschaften, 1971.
Silicon, germanium, tin and lead, organic compounds; ca. 650.
Collections of Raman spectal data:
QD 291 G738 1975, Sci & Eng Reference
Graselli, J.G. and W.M. Ritchey. Atlas of spectral data and physical constants for
organic compounds. 2nd ed. Cleveland: CRC Press, 1975.
Organic compounds; 1,469.
Tabulated data. Molecular weight index; melting point index; boiling point index;
chemical structure and substructure index (Wiswesser line notation); wave number index;
numerical index of source curves.
QC 462.85 D64 1974, Main
Dollish, F.R. et al. Characteristic Raman frequencies of organic compounds. New York:
Wiley, 1974.
Organic compounds; 800.
Graph form; tabulated structure correlations. Classified sequence.
QD 272 S6 S37 V. 1-2, Sci & Eng Reference
Schrader, B. DMS Raman/IR atlas of organic compounds. Weinheim: Bergstr Verlag
Chemie, 1974.
Organic compounds; 605.
Graph form. Classified sequence; chemical classes index.
QD 95 M3 1959 V. 20, Sci & Eng Reference
Selected Raman spectral data. TRC Data Project 44. Texas: Thermodynamics Research
Center, 1959Organic compounds (excluding hydrocarbons), inorganic compounds from lighter
elements; 113.
Graph form.
Collections of Raman spectral data of specific chemical classes:
http://www.models.kvl.dk/users/engelsen/specarb/specarb.html
Raman spectra of carbohydrates. Soren Balling Engelson. Food Technology, Dairy and
Food Science, Royal Vet. And Agricultural University, Denmark.
“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.”
Carbohydrates; ca. 30.
QE 369 S65 K37 1975, Main
Griffith, W.P. “Raman spectroscopy of terrestrial minerals.” IN: Infrared and Raman
spectroscopy of lunar and terrestrial minerals. New York: Academic Press, 1975.
Minerals; 100.
Tabulated data. Classified sequence.
ULTRAVIOLET SPECTRAL DATA
Indexes and bibliographies:
ZQC 451 A1 U4, Sci & Eng Reference
Hershenson, H.M. Ultraviolet and visible absorption spectra. Index 1930-54; 1955-59;
1960-63. New York: Academic Press.
Organic, organometallic and inorganic compounds; 73,000 entries.
Compound name index.
Collections of UV spectral data:
QC 437 O65 1960-1989, Sci & Eng Reference
Organic electronic spectra data. New York: Interscience, 1960Organic compounds; 250,000+
Tabulated data.
QD 291 G738 1975, Sci & Eng Reference
Graselli, J.G. and W.M. Ritchey. Atlas of spectral data and physical constants for
organic compounds. 2nd ed. Cleveland: CRC Press, 1975.
Organic compounds; 10,391.
Tabulated data. Molecular weight index; melting point index; boiling point index;
chemical structure and substructure index (Wiswesser line notation); wave number index;
numerical index of source curves.
QD 291 H5 1967, Sci 7 Eng Reference; Woodward Library
Hirayama, K. Handbook of ultraviolet and visible absorption spectra of organic
compounds. New York: Plenum Press Data Division, 1967.
Organic compounds; 8,443.
Tabulated data. Classified sequence (chromophoric group); index of absorption maxima.
QC 434 L322, Sci & Eng Reference
Lang, L. Absorption spectra in the ultra-violet and visible region. New York: Academic
Press, 1961Organic and inorganic compounds; 8,443.
Graph form. Twenty volumes of spectra with several cumulative indexes as well as name
and formula indexes in each volume. Mainly spectra of organic substances but some
inorganic compounds are included.
QC 459 S33 1979, Sci & Eng Reference
Simons, William W. Sadtler handbook of ultraviolet spectra. Philadelphia: Sadtler,
1979.
Organic compounds; 1,600.
2,000 UV spectra representing the neutral, base, and acid scans for 1,600 compounds.
Spectra arranged according to functional groups of the corresponding compounds.
Indexed by compound names and by wavelength location and absorptivity of spectral
peaks.
QC 459 M6 1950 V. 1-5, Main
Moore, C.E. An ultraviolet multiplet table. Washington, D.C.: U.S. Government
Printing Office, 1950. (Circular of the National Bureau of Standards; 488).
Elements; 88.
Tabulated data.
QC 459 U85, Sci & Eng Reference
Perkampus, H.H. et al. UV atlas of organic compounds. London: Butterworths, 196671.
Organic and inorganic compounds; 1,060.
Graph form. Five volumes of spectra with a cumulative, formula index in volume 5.
Brief discussions of main features of the spectra of functional groups and certain
structural constituents. Spectra of some inorganic compounds are included.
QC 459 S33 1979, Sci & Eng Reference
Simons, William W. (ed.). The Sadtler handbook of ultraviolet spectra. Philadelphia:
Sadtler, 1979.
Organic compounds; 1,600
Graph form. 2,000 UV spectra representing the neutral, base, and acid scans for 1,600
compounds. Spectra arranged accordinig to functional groups of the corresponding
compounds. Indexed by compound names and by wavelength location and absorptivity
of spectral peaks.
QD 95 M3 1959 V. 12-13, Sci & Eng Reference
Selected ultraviolet spectral data. TRC Data Project 44. Texas: Thermodynamics
Research Center, 1959Organic compounds (excluding hydrocarbons), inorganic compounds from lighter
elements; 1,393.
Graph form.
http://www.science-softcon.de/uv-vis.htm
UV/Vis spectra data base of atmospheric constituents contains more than 1,200 spectra of
about 120 atmospheric constituents and is accessible free-of-charge.
Correlation tables for UV spectral data:
QD 272 S6 P47 1974, Sci & Eng Reference
Pestemer, M. Correlation tables for the structural determination of organic compounds
by ultraviolet light absorptiometry. Weinheim: Verlag Chemie, 1974.
Organic compounds; 23,000
Sequence: increasing unsaturation, then atoms additional to C, H and decreasing
wavelengths.
Indexes and bibliographies of specific chemical classes:
QD 421 H55 1964, Woodward Library
Hesse, M. Indolalkaloide in Tabellen. Berlin: Springer-Verlag, 1964.
Indole alkaloids; ca. 600.
Collections of UV spectral data of specific chemical classes
QC 463 A5 H65 1965, Sci & Eng Reference; Woodward Library
Holubek, J. and O. Strouf. Spectral data and physical constants of alkaloids. Prague:
Publishing House of the Czechoslovak Academy of Sciences; London: Heyden, 1965.
Alkaloids; 1,000.
Graph form. Plant name index.
QV 350 U42 1978, Woodward Library
Umezawa, H. Index of antibiotics from actinomycetes. Tokyo: Japan Scientific
Societies Press, 1978.
Antibiotics from actinomycetes; ca. 800.
QD 95 F8 1951, Main
Friedel, R.A. and M. Orchin. Ultraviolet spectra of aromatic compounds. New York:
Wiley, 1951.
Aromatic compounds; 1951.
Graph form.
http://chem01.usca.sc.edu/chemistry/spectra/uvvis/index.html
USCA UV/VIS spectra. University of South Carolina.
Dyes and indicators; ca. 40.
QD 441 O38 1962A, Main, Woodward
Jurd, L. “Spectral properties of flavonoid compounds.” IN: The Chemistry of Flavonoid
compounds. New York: MacMillan, 1962.
Flavonoids; 400.
Tabulated data; a few graphs.
QD 441 M18 1972, Woodward Library
Mabry, T.J. et al. The systematic identification of flavonoids. New York: SpringerVerlag, 1960.
Flavonoids; 175.
Graph form.
QD 400 K32, Main
Amarego, W.L.F. “Ultraviolet spectra of heterocycles.” IN: Physical methods in
heterocyclic chemistry. Vol. 3. New York: Academic Press, 1963-74.
Heterocyclics; ca. 2,000.
Tabulated data. Classified sequence.
QD 476 S34 1964, Main; Woodward
Scott, A.I. Interpretation of the ultraviolet spectra of natural products. Oxford; New
York: Pergamon, 1964.
Natural products, including 1,450 steroids; 2,230.
QC 453 Y35 1970, Sci & Eng Reference
Yamaguchi, K. Spectral data of natural products. Amsterday; New York: Elsevier,
1970.
Natural products; 1,500.
Tabulated data. Classified sequence; index of plant and animal names.
QD 431 V473 1965, Main
Venkstern, T.V. Absorption spectra of minor bases, their nucleosides, nucleotides, and
selected oligoribonucleotides. New York: Plenum Press Data Division, 1965.
Nucleic acid components; 33.
Graph form.
QD 431.7 J35 1971, Main; Woodward
Janik, B. Physicochemical characteristics of oligonucleotides and polynucleotides. New
York: IFI/Plenum, 1971.
Nucleotides.
Tabulated data..
QD 113 I55 1963, Sci & Eng Reference
IUPAC Commission on Spectrochemical and other Optical Procedures for Analysis.
Tables of spectrophotometric absorption data of compounds used for the colorimetric
determination of elements. London: Butterworths, 1963.
Organic complexes formed in colorimetric analysis; 534.
Graph form.
QD 411 R35 1969, Main (storage)
Ramsey, B.G. Electronic transitions in organometalloids. New York: Academic Press,
1969.
Organometallic compounds of nontransition metals; 1,170.
Author index; classified sequence.
http://chrom.tutms.tut.ac.jp/JINNO/DATABASE/00alphabet.html
JINNO PAH database. JINNO Laboratory. Toyohashi University of Technology,
Toyohashi, Japan.
Polycyclic aromatic hydrocarbons; ca. 50.
QV 25 S8 1963, Woodward
Sunshine, I. And S.R. Gerber. Spectrophotometric analysis of drugs including atlas of
spectra. Springfield, Ill.: Thomas, 1963.
Pharmaceuticals; 143.
Graph form. Index of absorption maxima.
QV 740 AA1 A534. Woodward Library
Florey, K. Analytical profiles of drug substances and excipients. San Diego: Academic
Press, 1992Pharmaceuticals; ca. 550.
Graph form.
QV 25 C22 1981, Woodward Library
Sunshine I. CRC Handbook of spectrophotometric data of drugs. CRC Press, 1981.
Pharmaceuticals; 368.
Name index.
http://chrom.tutms.tut.ac.jp/JINNO/DRUGDATA/00alphabet.html
Drug database. Jinno Laboratory, Toyohashi University of Technology, Toyohashi,
Japan.
Pharmaceuticals; ca. 80
Access by name.
QD 401 F973 1975, Main
Furhop, J.H. and K.M. Smith. Laboratory methods in porphyrin and metalloporphyrin
research. Amsterdam: Elsevier, 1975.
Porphyrins and porphyrin derivatives; 114.
Tabulated data. Classified sequence.
QC 463 P7 K5, Main; Woodward
Kirschenbaum, D.M. Atlas of protein spectra in the ultraviolet and visible regions. New
York: IFI/Plenum, 1972-74.
Proteins; 1,650.
Graph form. Source indexes (animal, tissue, microbial, viral, plant, algae, yeast and
fungi, apoprotein); index of additives and modifiers.
TS 1892 F4713 1966, Main
Fikhtengol’ts, V.S. et al. Ultraviolet spectra of elastomers and rubber chemicals. New
York: Plenum Press Data Division, 1966.
Rubber chemicals (ie chemicals used in compounding synthetic rubber) and elastomers;
141.
Graph form. Classified sequence.
QD 426 B4 1968, Sci & Eng Reference
Bernstein, S. et al. Physical properties of steroid conjugates. New York: SpringerVerlag, 1968.
Steroid conjugates; ca. 150.
Tabulated data.
QD 415 E55 1963, Main
Engel, L.L. Physical properties of the steroid hormones. New York: MacMillan, 1963.
Steroid hormones and related compounds; ca. 2,500.
Tabulated data; a few graphs. Chemical class index.
WK 150 H33 1969, Woodward (storage)
Hadd, H.E. and R.T. Bickenstaff. Conjugates of steroid hormones. New York:
Academic Press, 1969.
Steroid hormone conjugates; ca. 1000.
Tabulated data. Chemical structure index.
QC 463 S8 N4 1965, Sci & Eng Reference
Neudert, W. and Ropke, H. Steroid-spektrenatlas. Atlas of steroid spectra. Berlin; New
York: Springer-Verlag, 1965.
Steroids; 900.
Graph form. Classified sequence.
MASS SPECTRAL DATA
Indexes and bibliographies:
QD 95 S495, Sci & Eng Reference
Tatematsu, A. and T. Tsuchiya. Structure indexed literature of organic mass spectra.
Tokyo: Academic Press of Japan, 1967-1968.
Organic compounds; 14,961+
Molecular formula sequence; molecular weight index.
QC 350 O7, Main.
Organic mass spectrometry. Chemical compound index. London: Heyden, 1966Cumulative index (1973) covers compounds in organic mass spectrometry, v. 1-7.
Organic compounds; 9,000.
Collections of mass spectral data:
QC 453 I464 1974; Sci & Eng Reference
Eight peak index of mass sepctra: the eight most abundant ions in 31,101 mass spectra
indexed by molecular weight, elemental composition and most abundant ions. Mass
Spectrometry Data Centre & ICI. 2nd ed. Aldermaston: Mass Spectrometry Data Centre,
1974.
Organic compounds; 31,101.
Four volumes containing digitised values for 8 most abundant ions. Molecular weight
index; elemental composition index; most abundant ions index.
QC 100 U573 V. 63(1-4) Suppl. 1 & index, Sci & Eng Reference
Heller, S.R. and G.W.A. Milne. EPA/NIH mass spectral data base. National Bureau of
Standards.
ca. 25,000.
Bar graph format. Substance index; name index; molecular formula index; molecular
weight index; CAS registry number.
QC 454 M3 S73 1969, Main
Stenhagen, E. et al. Atlas of mass spectral data. New York: Interscience, 1969.
Tables of mass spectrometry data. Indexing by molecular weight and molecula formula.
Includes bibliographical references.
Organic and inorganic compounds; ca. 20,000.
Formula index.
QC 454 M3 S74 1974 V. 1-4, Sci & Eng Reference
Stenhage, E. et al. Registry of mass spectral data. New York: Wiley, 1974.
Organic compounds, some gases and halogen compounds; 18,806.
Bar graph format. Molecular weight sequence; molecular formula index. Literature
sources given for each spectrum.
http://webbook.nist.gov/chemistry/
NIST Chemistry WebBook. M.J. Mallard, general editor. National Institute of Standards
and Technology. Nov. 1998 Release. (NIST Standard Reference Database Number 69)
ca. 10,000.
Accesss by name, molecular formula, partial formula, CAS registry number, molecular
weight.
QC 453 C66 1975, Sci & Eng Reference
Cornu, A. and R. Massot. Compilation of mass spectral data. 2nd ed. London; New
York: Heyden, 1975.
Organic compounds; 10,000.
Digitised values for 10 most abundant ions. Molecular weight sequence; molecular
formula sequence; and fragment ion sequence.
QC 453 A44 1969, Sci & Eng Reference
Index of mass spectral data, listed by molecular weight and the six strongest peaks.
American Society for Testing and Materials. Philadelphia: ASTM, 1969.
Organic compounds; ca. 8,000.
Digitised values for 6 most abundant ions. Seven sequences: molecular weight, then m/e
of most abundant ions, second most abundant ions, third most abundant etc.
QC 453 A73 V. 1-3, Main.
Archives of mass spectral data. New York: Interscience, 1970-72.
Organic compounds; ca. 1,000.
Bar graph format. Index of six most abundant ions.
QD 95 M3 1959, Sci & Eng Reference
Selected mass spectral data. TRC Data Project 44. Texas: Thermodynamics Research
Center, 1959Organic compounds (excluding hydrocarbons), inorganic compounds from lighter
elements; 479.
Digitised spectra.
http://wwwfact.jst.go.jp/fdb/MS/
JICST Mass Spectral Database. Japan Information Center of Science and Technology.
Several hundred MS spectra.
QD 95 M3 1959, Sci & Eng Reference
Selected mass spectral data, matrix form. TRC Data Project. Texas: Thermodynamics
Research Center, 1959Organic compounds (excluding hydrocarbons), inorganic compounds from lighter
elements; 302.
Indexes and bibliographies of specific chemical classes:
QD 421 H55 1964, Woodward Library
Hesse, M. Idolalkaloide in Tabellen. Berlin: Springer, 1964.
Indole alkaloids; ca. 300
Collections of mass spectral data of specific chemical classes:
QC 463 A47 H47 1975, Main
Hesse, M. and H.O. Bernard. Alkaloide ausser Indol-, Triterpen- und Steroidalkaloide.
Weinheim: Verlag Chemie, 1975. (Progress in mass spectrometry; v. 3).
Alkaloids (excluding indole, triterpen- and steroid alkaloids); 1,200.
QD 271 P67 1982
Porter, Q.N. Mass spectrometry of heterocyclic compounds. 2nd ed. New York: Wiley,
1982.
Heterocyclic compounds; 2,200.
Classified sequence.
QC 463 I5 H47 1974 V. 1-2, Main
Hesse, M. Indolalkaloide. Weinheim: Verlag Chemie, 1974. (Progress in mass
spectrometry; v. 1).
Indole alkaloids; 236.
QC 454 M3 W54 1974, Main
Wilson, R.G. Ion mass spectra. New York: Wiley, 1974.
Ion beams from gas discharge ion sources; 100.
Graph form. Index of ions.
QC 453 Y35 1970, Sci & Eng Reference
Yamaguchi, K. Spectral data of natural products. Amsterdam; New York: Elsevier,
1970-1972.
Natural products; ca. 3,000.
Digitised spectra. Index of plant and animal names.
SB 960 S23 1973, Macmillan
Safe, S. and O. Hutzinger. Mass spectrometry of pesticides and pollutants. Cleveland:
CRC Press, 1973.
Pollutants, pesticides
TD 427 O7 M53 1981, Main
Middleditch, B.S. et al. Mass spectrometry of priority pollutants. New York: Plenum
Press, 1981.
Organic water pollutants;
http://gpu.srv.ualberta.ca/afs/.ualberta.ca/home/g/j/gjones/public_html/fulldrug.htm
AAFS MSDC database.
Pharmaceuticals; ca. 1,600.
QV 25 P493 1985, Woodward
Ardrey, R.E. et al. Pharmaceutical mass spectra: a compilation of mass spectra of drugs,
metabolites and other compounds of pharmaceutical interest. London: Pharmaceutical
Press, 1985.
Pharmaceuticals; 1,100.
Molecular weight index, 8 peak index, alphabetical index.
http://www.mann.embl-heidelberg.de/peptidesearchpage.html
QV 25 H27 1981, Woodward Library
CRC handbook of mass spectra of drugs. Edited by Irving Sunshine. CRC Press, 1981.
(CRC series in analytical toxicology).
Pharmaceuticals; ca. 500.
CI and EI data indexed alphabetically and by molecular weight; approx. 500 EI curves
with an 8-peak index. Spectral diagrams for EI only, but spectral data for EI and CI.
Combined index to all tables by compound name.
QV 39 P45 1985 V. 1-2, Woodward
Pfleger, K.A. et al. Mass spectral and Gc data of drugs, posons, and their metabolites.
Weinheim: VCH Verlagsgesellschaft, 1985.
Pharmaceuticals; ca. 1,500.
QV 740 AA1 A534, Woodward Library
Florey, K. Analytical profiles of drug substances and excipients. San Diego: Academic
Press.
Pharmaceuticals; 88+
Bar graph format.
QC 454 M3 S65 1973, Main
Spiteller, M. Massenspektrensammlung von Losungsmitteln, Verunreinigung,
Saulenbelegmaterialen un einfachen aliphatischen Verbindungen. Wein; New York:
Springer-Verlag, 1973.
Solvents, impurities, chromatography column packing materials, simple alipatics; 170.
Bar graph format. Molecular weight index; fragment ion index; index of fragment ions
lost.
QD 481 Z37 1976, Main
Zaretskii, Z.V. Mass spectrometry of steroids. New York: Wiley, 1976.
Steroids; ca. 500.
Classified sequence.
QC 463 T4 N53 1973, Sci & Eng Reference
Yukawa, Y. and S. Ito. Spectral atlas of terpenes and the related compounds. Tokyo:
Hirokawa, 1973.
Terpenes; 113.
Bar graph format.
Data tables for use in mass spectrometry:
QD 1 A355 1982, Main
McLafferty, F.W. Mass spectral correlations. 2nd ed. Washington, D.C.: American
Chemical Society, 1982.
QC 451 B49 1965, Sci & Eng Reference
Beynon, J.H. et al. Table of meta-stable transitions for use in mass spectrometry.
Amsterdam; New York: Elsevier, 1965.
QC 453 T3 1970, Main
Beynon, J.H. et al. Table of ion energies for meta-stable transitions in mass
spectrometry. Amsterdam; New York: Elsevier, 1970.
QC 4453 T3 1970, Main
Binks, R. et al. Tables for use in high resolution mass spectrometry. Chemical formulae
from mass determinations. London: Heyden; Philadelphia: Sadtler, 1970.
QD 291 E324 1970, Sci & Eng Reference
Ege, G. Zahlentafeln zur Massenspektrometrie und Elementanalyse = Tables for mass
spectrometry and element analysis; determination of CHNO molecular formula.
Weinheim: Verlag Chemie, 1970.
QC 454 M22 1992, Main
McLafferty, F.W. Interpretation of mass spectra.
Benjamin, 1992.
4th ed.
Reading, Mass.: W.A.
QC 454 M3 N44 1973, Sci & Eng Reference
Neeter, R. and C.W.F. Kort. Metastable precursor ions: a table for use in mass
spectrometry. Amsterdam; New York: Elsevier, 1973.
EMISSION SPECTRA:
Indexes and bibliographies:
QC 453 G74, Sci & Eng Reference
Greenwood, N.N. et al. Index of vibrational spectra of inorganic and organometallic
compounds. Cleveland: CRC Press, 1972Inorganic and organometallic compounds; ca. 35,000
Collections of emission spectral data:
QC 453 M35 1969 V. 1-2, Sci & Eng Reference
MIT wavelength tables: with intensities in arc, spark, or discharge tube of more than
100,000 spectrum lines most strongly emitted by the atomic elements under normal
conditions of excitation between 10,000 A and 2,000 A arranged in order of decreasing
wavelengths. Cambridge, Mass.: MIT Press, 1969-1982.
v. 1: Tables of wavelengths; v. 2: Wavelengths by element.
Main tables contain more than 100,000 entries for the most important known spectrum
lines emitted between 10,000 and 2000 angstroms by atoms in the first two stages of
ionization.
Elements (82); ca. 100,000 lines. Digitised data, listed by decreasing wavelength.
QD 96 E46 V37 1990, Sci & Eng Reference
Varma, Asha. CRC handbook of inductively coupled plasma atomic emission
spectroscopy. Boca Raton, Fla.: CRC Press, 1991.
Elements (70). Includes references.
http://physics.nist.gov/cgi-bin/AtData/main_asd
NIST atomic spectra database. National Institute of Standards and Technology.
“Contains data for radioactive 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 spectra from about 1 Å (Ångströms) to 200
µm (micrometers), with about 70,000 energy levels and 91,000 lines, 40,000 of which
have transition probabilities listed. The most current NIST-evaluated data associated with
each transition are integrated under a single listing.”
QC 453 P37 1971, Sci & Eng Reference
Parsons, M.L. and P.M. McElfresh. Flame spectroscopy: atlas of spectral lines. New
York: IFI/Plenum, 1971.
Elements (70); ca. 2,000 lines. Digitised absorption, emission and fluorescence data,
listed by element.
Collections of emission spectra of specific chemical classes:
QC 463 B4 V313 1969, Main
Varsanyi, G. Vibrational spectra of benzene derivatives. Budapest: Akademiai Kimado;
New York: Academic Press, 1969.
Benzene derivatives; 700.
Tabulated data and graphs. Classified sequence.
QC 454 S9413 1974, Main
Sverdlov, L.M. and E.P. Krainov. Vibrational spectra of polyatomic molecules. New
York: Wiley, 1973.
Hydrocarbons; ca. 600.
Classified sequence.
QC 463 M38 B7 1975, Main
Braterman, P.S. Metal carbonyl spectra. London: Academic Press, 1975.
Metal carbonyls; 106.
QC 463.07 M35 1977, Main
Maslowsky, Edward. Vibrational spectra of organometallic compounds. New York:
Wiley, 1977.
Organometallic compounds;
QD 172 R2 A85 2000, Sci & Eng. Reference
Huang, Benli. An atlas of high resolution spectra of rare earth elements for inductively
coupled plasma atomic emission spectroscopy. Cambridge: Royal Society of Chemistry,
2000.
Rare earth elements; 65.
Tabulated data and graphs.
QC 464 S6 L313 1972, Main
Lazarev, A.N. Vibrational spectra and structure of silicates. New York: Consultants
Bureau, 1972.
Silicates.
OTHERS:
Auger spectral data:
QC 721 P324 1971, Sci & Eng Reference
Packer, M.E. and J.M. Wilson. Auger transitions between 0 and 1,500 eV for elements
up to Z=88. London: Institute of Physics, 1971.
Transitions based on atomic energy levels, and transitions based on modified atomic
energy levels.
QC 793.5 E627 M3 1979, Sci & Eng Reference
McGuire, G.E. Auger electron spectroscopy manual: a book of standard spectra for
identification and interpretation of Auger electron spectroscopy data. New York:
Plenum Press, 1979.
Graph form.
X-ray spectral data:
http://srdata.nist.gov/xps/
NIST x-ray photoelectron spectroscopy database. National Institute of Standards and
Technology.
“This database gives easy access to the energies of many photoelectron and Augerelectron spectral lines. Resulting from a critical evaluation of the published literature, the
database contains over 19,000 line positions, chemical shifts, doublet splittings, and
energy separations of photoelectron and Auger-electron lines. A highly interactive
program allows the user to search by element, line type, line energy, and many other
variables. Users can easily identify unknown measured lines by matching to previous
measurements.”
QC 100 U573 V. 14, Sci & Eng Reference
Bearden, J.A. “X-ray wavelengths.” IN: Review of modern physics.
Tabulated data.. Atomic number, and increasing wavelength sequences.
QD 95 W495 1970, Sci & Eng Reference
White, E.W. and G.G. Johnson. X-ray emission and absorption wavelengths and twotheta tables. 2nd ed. Philadelphia: American Society for Testing and Materials, 1970.
Tabulated data. Atomic number, and increasing wavelength sequences.
QD 95 J45 1970, Woodward Library
Jenkins, Ron. Worked examples in X-ray spectrometry. New York: Springer, 1970.
TP 810.5 B45 1992, Main
Bennet, Harry and Graham J. Oliver. XRF analysis of ceramic, minerals and allied
materials. Chichester; New York: Wiley, 1992.
Ceramic materials.
Fluorescence spectral data:
QC 463 H9 B4 1971, Sci & Eng Reference
Berlman, I.B. Handbook of fluorescence spectra of aromatic molecules. 2nd ed. New
York: Academic Press, 1971.
Aromatic compounds; 200.
Graph form.
Gamma ray spectral data:
QC 793.5 G327 G55 1995, Main
Gilmore, Gordon and John D. Hemingway. Practical gamma ray spectrometry.
Chichester; New York: Wiley, 1995.
QD 794 S58 1962, Main
Slater, D.N. Gamma rays of radionuclides in order of increasing energy. Washington,
D.C.: Butterworths, 1972.
Tabulated data.
QD 606 L424 1974, Main
Leclerc, J.C. and A. Cornu. Neutron activation analysis tables London: Heyden, 1974.
Tabulated data. Increasing gamma energy sequence.
FURTHER INFORMATION:
http://www.chemfinder.com
Chemfinder. Cambridgesoft. Cambridge, Mass.
Points to spectral data on the web for specific substances. Search by chemical name,
molecular formula, molecular weight, or CAS Number, and then follow the Physical
properties link.
Chemical abstracts: Available in print form and on CD-ROM (from 1987 onwards) in
the Science and Engineering Reference area.
To use CD-ROM:
An example using benzaldehyde:
Click the Search button, and in the first search box, type benzaldehyde. In the following
box, type spectra. You can narrow it down further if you like. If you wanted infrared
spectra of benzaldehyde, type (infrared or IR) in the second box instead. Scroll through
the retrieved titles, and click to get the full citation.
To use print version:
Section 73 of the weekly and cumulative print issues covers topics in optical, electron,
and mass spectroscopy and related studies, when they are the principal topics of papers.
Or, you can use the chemical substances indexes to locate published spectral information
on particular compounds.
Example (from the 1992-96 Chemical Compound Index) using benzaldehyde again:
Look up benzaldehyde:
Benzaldehyde [100-52-7] – properties – IR of: 116 128034v
This directs you to volume 116 of Chemical Abstracts. When you look up
abstract number 128034v, you will find:
Infrared study of benzaldehyde and 4-substituted benzaldehydes in carbon
tetrachloride and/or chloroform solutions: the carbonyl group. Nyquist, Richard
A. et al. Applied spectroscopy 1991 45(10)1641-8.
QD 251 D49 1996, Sci & Eng Reference
Dictionary of organic compounds. 6th ed. London; New York: Chapman & Hall, 1996.
Literature references only.
QD 148 D53 1992, Sci & Eng Reference
Dictionary of inorganic compounds. London; New York: Chapman & Hall, 1992.
Literature references only.
QD 411 D53 1995, Sci & Eng Reference
Dictionary of organometallic compounds. 2nd ed. London; New York: Chapman & Hall,
1995.
Literature references only.