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Created on: 09-Sep-2012
Last updated on: 09-Sep-2012
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Total resources - 32
A list of resources for spectral analysis
Akhilesh Bajpai and Sravanthi Davuluri (Correspondence: Acharya KK, kshitish@ibab.ac.in)
S.No
Resources
Sort by
Resource name (alphabetically)
Rank by usage frequency
Short description*
Rank by usage frequency
More Details
Method Description
Click to Edit / Add comments
1
Spectral Database
http://www.epa.gov/ttn/emc/ftir/welcome.html
Spectra and spectroscopic data of species of interest
1
2
METLIN
http://metlin.scripps.edu
Repository of metabolite information & tandem mass spectrometry data
5
3
BioMagResBank - BMRB
http://www.bmrb.wisc.edu
Spectral and quantitative data derived from NMR of biological macromolecules and metabolites
32
4
CDMS - Cologne Database for Molecular Spectroscopy
http://www.astro.uni-koeln.de/cdms
53
5
CHIANTI
http://www.chiantidatabase.org
Database for Spectroscopic Diagnostics of Astrophysical Plasmas
64
6
Fluorescent spectra
http://www.mcb.arizona.edu/ipc/fret/default.htm
67
URL not working as on 10 Feb 2015 (confirmed on 15 Nov 2016)
7
SDBS - Spectral Database for Organic Compounds
http://riodb01.ibase.aist.go.jp/sdbs/cgi-bin/cre_index.cgi
67
8
Mass spectral databases
http://www.physik.uni-oldenburg.de/documents/UOL-THEO3-95-2/eg_foilsebs/simple.html
Simple search of mass spectral databases
93
9
Spectra Online
http://www.spectraonline.com
93
URL not working as on 10 Feb 2015 (confirmed on 15 Nov 2016)
10
USGS Digital Spectral Library
http://speclab.cr.usgs.gov/spectral-lib.html
94
11
Raman Spectroscopic Library
http://www.chem.ucl.ac.uk/resources/raman/index.html
Raman Spectroscopic Library of Natural and Synthetic Pigments
95
12
RASMIN - Raman Spectra Database of Minerals and Inorganic Materials
http://riodb.ibase.aist.go.jp/rasmin/E_index.htm
98
URL not working as on 10 Feb 2015 (confirmed on 15 Nov 2016)
13
ASTER spectral library
http://speclib.jpl.nasa.gov
Spectra of natural and man-made materials
100
14
ComSpec3D - Computed Spectral Data 3D-Visualization
http://www2.chemie.uni-erlangen.de/services/vrmlvib
Visualization of Infrared and Raman spectra
100
15
Cosmic Ice Laboratory
http://science.gsfc.nasa.gov/691/cosmicice
Spectra, chemistry, physical properties of ice relevant to comets, icy satellites and planets
100
16
FTIRsearch.com
http://www.ftirsearch.com
100
17
GEISA spectroscopic database
http://ether.ipsl.jussieu.fr/etherTypo/?id=950
Data archives and facility tools
100
18
Ice analogs database
http://www.strw.leidenuniv.nl/lab/databases/ice-analogues-schutte/database.html
Infrared spectra of laboratory analogs of interstellar ices
100
19
Infrared Spectra of paints and coatings
http://tera.chem.ut.ee/IR_spectra
Spectra of various conservation- and painting-related materials
100
20
IRSLDB
http://irsldb.pu-toyama.ac.jp
Raman spectroscopy literature database
100
21
Minerals Raman Spectra Database
http://www.dst.unisi.it/geofluids-lab/Raman%20intro.htm
100
URL not working as on 10 Feb 2015 (confirmed on 15 Nov 2016)
22
MOGADOC - MOlecular GAsphase DOCumentation
http://www.uni-ulm.de/strudo/mogadoc/index.html
Information about gas phase investigations
100
23
mslib - Mass Spectrometry Database Committee
http://www.ualberta.ca/~gjones/mslib.htm
Mass Spectral Drug Libraries
100
24
NIST Physical Reference Data
http://www.nist.gov/pml/data/index.cfm
Access and search data on atomic energy levels, wavelengths, and transition probabilities
100
25
Nmrshiftdb2
http://nmrshiftdb.nmr.uni-koeln.de
Organic structures and their nuclear magnetic resonance spectra
100
26
Northwest-Infrared
https://secure2.pnl.gov/nsd/nsd.nsf/Welcome
Vapor phase infrared spectral library
100
27
Photochemistry Database
http://www.science-softcon.de/uv-vis.htm
Spectral information and related data
100
28
pH-spectra Database
http://www.theoprax-research.com/pool.html
100
29
PSLC Spectral database - Polymer Science Learning Center Spectral Database
http://pslc.uwsp.edu
100
30
S.T. Japan-Europe
http://www.stjapan.de/Home/tabid/56/language/en-US/Default.aspx
Spectral libraries
100
31
SpecInfo on the Internet
http://specinfo.wiley.com/specsurf/welcome.html
100
32
Spectroscopic Databases
http://www.acdlabs.com/products/adh/nmr
Tools for analytical data interpretation
100
Please use the following to cite:
"Akhilesh Bajpai and Sravanthi Davuluri (Correspondence: Acharya KK, kshitish@ibab.ac.in), A list of resources for spectral analysis; In: Startbioinfo; 09 Sep 2012, /cgi-bin/prelimresources.pl?tn=Spectral analysis"
Disclaimer
copyright © Dr. Kshitish Acharya K; all rights reserved
Some of the sentences in this column may be quoted from the original website of the corresponding tool or database
