Literature DB >> 24242696

Comparative evaluations of mass spectral data bases.

F W McLafferty1, D B Stauffer, S Y Loh.   

Abstract

Recent reports from the National Institute of Science and Technology (NIST) state that its large (53,994) collection of mass spectra is unique in "consisting almost entirely of complete spectra." Our study of the 1989 Registry of Mass Spectral Data of 139,859 different spectra shows that its 53,994 spectra containing the most peaks average 108 peaks per spectrum, 48% larger than the NIST data base. Further, in matching unknown spectra of compounds present in both files, by using criteria yielding 68% reliability, 14% of the possible correct answers were recalled with the NIST data base versus 36% with the Registry.

Year:  1991        PMID: 24242696     DOI: 10.1016/1044-0305(91)85011-T

Source DB:  PubMed          Journal:  J Am Soc Mass Spectrom        ISSN: 1044-0305            Impact factor:   3.109


  2 in total

1.  An enlarged data base of electron-ionization mass spectra.

Authors:  F W McLafferty; D B Stauffer; A B Twiss-Brooks; S Y Loh
Journal:  J Am Soc Mass Spectrom       Date:  1991-09       Impact factor: 3.109

2.  Numeric Databases for Chemical Analysis.

Authors:  Sharon G Lias
Journal:  J Res Natl Inst Stand Technol       Date:  1989 Jan-Feb
  2 in total
  10 in total

Review 1.  Unknown identification using reference mass spectra. Quality evaluation of databases.

Authors:  F W McLafferty; D A Stauffer; S Y Loh; C Wesdemiotis
Journal:  J Am Soc Mass Spectrom       Date:  1999-12       Impact factor: 3.109

2.  Comparative evaluations of mass spectral databases.

Authors:  S E Stein; P Ausloos; S G Lias
Journal:  J Am Soc Mass Spectrom       Date:  1991-09       Impact factor: 3.109

3.  Letters to the editor.

Authors:  J D Shoemaker; S E Stein
Journal:  J Am Soc Mass Spectrom       Date:  1992-05       Impact factor: 3.109

4.  Optimization and testing of mass spectral library search algorithms for compound identification.

Authors:  S E Stein; D R Scott
Journal:  J Am Soc Mass Spectrom       Date:  1994-09       Impact factor: 3.109

5.  Evaluating electron ionization mass spectral library search results.

Authors:  O D Sparkman
Journal:  J Am Soc Mass Spectrom       Date:  1996-04       Impact factor: 3.109

6.  Comparison of algorithms and databases for matching unknown mass spectra.

Authors:  F W McLafferty; M Y Zhang; D B Stauffer; S Y Loh
Journal:  J Am Soc Mass Spectrom       Date:  1998-01       Impact factor: 3.109

7.  Smith-Waterman peak alignment for comprehensive two-dimensional gas chromatography-mass spectrometry.

Authors:  Seongho Kim; Imhoi Koo; Aiqin Fang; Xiang Zhang
Journal:  BMC Bioinformatics       Date:  2011-06-15       Impact factor: 3.169

8.  The critical evaluation of a comprehensive mass spectral library.

Authors:  P Ausloos; C L Clifton; S G Lias; A I Mikaya; S E Stein; D V Tchekhovskoi; O D Sparkman; V Zaikin; D Zhu
Journal:  J Am Soc Mass Spectrom       Date:  1999-04       Impact factor: 3.262

9.  Optimization of essential oil extraction from orange peels using steam explosion.

Authors:  Mansour Golmohammadi; Alimohammad Borghei; Ali Zenouzi; Nariman Ashrafi; Mohammad J Taherzadeh
Journal:  Heliyon       Date:  2018-11-05

10.  Pulsatile Controlled Release and Stability Evaluation of Polymeric Particles Containing Piper nigrum Essential Oil and Preservatives.

Authors:  Sidney Gomes Azevedo; Ana Luisa Farias Rocha; Ronald Zico de Aguiar Nunes; Camila da Costa Pinto; Ştefan Ţălu; Henrique Duarte da Fonseca Filho; Jaqueline de Araújo Bezerra; Alessandra Ramos Lima; Francisco Eduardo Gontijo Guimarães; Pedro Henrique Campelo; Vanderlei Salvador Bagnato; Natalia Mayumi Inada; Edgar Aparecido Sanches
Journal:  Materials (Basel)       Date:  2022-08-05       Impact factor: 3.748

  10 in total

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