| Main Title |
Computer interpretation of pollutant mass spectra / |
| Author |
McLafferty, Fred W.,
|
| CORP Author |
Cornell Univ., Ithaca, N.Y. Dept. of Chemistry.;Environmental Research Lab., Athens, Ga. |
| Publisher |
Environmental Research Laboratory, Office of Research and Development, Environmental Research Laboratory, For sale by the National Technical Information Service. |
| Year Published |
1976 |
| Report Number |
EPA-600/4-76-046; EPA-R-801106 |
| Stock Number |
PB-262 341 |
| OCLC Number |
02730438 |
| ISBN |
pbk. |
| Subjects |
Algorithms ;
Information storage and retrieval systems ;
Mass spectrometry ;
Computer programming ;
Information Systems ;
Spectrum Analysis, Mass ;
Programming (Electronic computers) ;
Information Retrieval Systems
|
| Additional Subjects |
Mass spectra ;
Water pollution ;
Water analysis ;
Soil analysis ;
Data retrieval ;
Chemical analysis ;
Gas chromatography ;
Mass spectrometers ;
Information retrieval ;
Systems analysis ;
Algorithms ;
STIRS(Self-training interpretive and retrieval system) ;
Self training interpretive and retrieval system
|
| Internet Access |
|
| Holdings |
| Library |
Call Number |
Additional Info |
Location |
Last
Modified |
Checkout
Status |
| EJBD |
EPA 600/4-76-046 |
c.1 |
Headquarters Library/Washington,DC |
03/25/2014 |
| EKBD |
EPA-600/4-76-046 |
|
Research Triangle Park Library/RTP, NC |
07/25/2003 |
| ELBD ARCHIVE |
EPA 600/4-76-046 |
Received from HQ |
AWBERC Library/Cincinnati,OH |
10/04/2023 |
| ELBD |
EPA 600-4-76-046 |
|
AWBERC Library/Cincinnati,OH |
04/25/1998 |
| ESAD |
EPA 600-4-76-046 |
|
Region 10 Library/Seattle,WA |
03/23/2010 |
| NTIS |
PB-262 341 |
Some EPA libraries have a fiche copy filed under the call number shown. |
|
07/26/2022 |
|
| Collation |
viii, 59 pages : illustrations, graphs ; 28 cm. |
| Abstract |
The objective of this research was to improve systems for computer examination of the mass spectra of unknown pollutants. For this we have developed a new probability based matching (PBM) system for the retrieval of mass spectra from a large data base, and have substantially improved the interpretation of unknown mass spectra using the self-training interpretive and retrieval system (STIRS). PBM was designed as a prefilter to STIRS; if an unknown mass spectrum can be identified with a sufficiently high confidence by PBM, interpretation of the spectrum using STIRS is not necessary. The PBM system provides more efficient retrieval than presently accepted systems; it incorporates a 'reverse search' algorithm, and through the use of weighted mass and abundance data provides a statistically valid prediction of the confidence of the matches found. STIRS has been improved to give a confidence-level prediction of the presence of approximately equal to 200 particular substructural features in the unknown molecule. Extensive studies have been made to improve the data selection for most data classes used by STIRS, resulting in a much higher level of overall system performance. Operation efficiencies of both PBM and STIRS have been improved dramatically so that both require less than 1 minute on a laboratory PDP-11/45 computer. STIRS has been made available for outside use by long-distance phone connections to this PDP-11/45, and recently both PBM and STIRS have been made operational on the Cornell IBM-370/168 so that these are available internationally over the TYMNET computer network system. |
| Notes |
"October 1976." Includes bibliographical references (pages 56-58). Prepared by Cornell University, Ithaca, New York, under grant no. Contract Number: R-801106. |
| Place Published |
Athens, Ga. Springfield, Va. |
| Corporate Au Added Ent |
United States. Environmental Protection Agency. Office of Research and Development.; Cornell University. |
| Corp Au Ser Add Ent |
United States. Environmental Protection Agency. Environmental monitoring series ; EPA-600/4-76-046. |
| PUB Date Free Form |
1976 |
| Series Title Untraced |
Environmental monitoring series ; EPA-600/4-76-046 |
| NTIS Prices |
PC A04/MF A01 |
| BIB Level |
m |
| Medium |
unmediated |
| Content |
text |
| Carrier |
volume |
| Cataloging Source |
OCLC/T |
| Merged OCLC records |
1225719876 |
| OCLC Time Stamp |
20151029132805 |
| Language |
eng |
| SUDOCS Number |
EP 1.23/5:600/4-76-046 |
| Origin |
OCLC |
| Type |
MERGE |
| OCLC Rec Leader |
02104cam 2200481Ii 45020 |
