On the inter-instrument and inter-laboratory transferability of a tandem mass spectral reference library: 1. Results of an austrian multicenter study

Journal of Mass Spectrometry

Volumn 44, Issue 4, 2009, Pages 485-493

  Oberacher, Herbert ^a   Pavlic, Marlon ^a   Libiseller, Kathrin ^a   Schubert, Birthe ^a   Sulyok, Michael ^b   Schuhmacher, Rainer ^b   Csaszar, Edina ^c   Köfeler, Harald C ^d  

^a INNSBRUCK MEDICAL UNIVERSITY   (Austria)

^b UNIVERSITY OF NATURAL RESOURCES AND LIFE SCIENCES   (Austria)

^c Vienna Biocenter   (Austria)

^d MEDICAL UNIVERSITY OF GRAZ   (Austria)

Author keywords

Library; Tandem mass spectrometry; Transferability

Indexed keywords

COLLISION-ENERGY; FOURIER TRANSFORM ION CYCLOTRON RESONANCE MASS SPECTROMETERS; INSTRUMENTAL PARAMETERS; LINEAR ION TRAP; MASS SPECTRAL; MASS SPECTRAL LIBRARIES; MATCHING ALGORITHM; MULTICENTER STUDY; PLATFORM INDEPENDENT; QUADRUPOLE; REFERENCE COMPOUNDS; TANDEM MASS SPECTRA; TANDEM MASS SPECTROMETRY; TIME OF FLIGHT; TIME-OF-FLIGHT INSTRUMENTS; TRANSFERABILITY; WORK-FLOWS;

ELECTRON TRAPS; INSTRUMENTS; LABORATORIES; MASS SPECTROMETERS; NEGATIVE IONS; SPECTRUM ANALYSIS;

MASS SPECTROMETRY;

AMILORIDE; BUPHENINE; CINCHOCAINE; CYCLIZINE; DESIPRAMINE; DIHYDROERGOTAMINE; DIXYRAZINE; DOSULEPIN; ERGOTAMINE; ETHAMBUTOL; ETILEFRINE; ETOFYLLINE; MEFRUSIDE; METHYSERGIDE; METOCLOPRAMIDE; PHENAZONE; PHENTERMINE; PHENYTOIN; SULFAMETHOXAZOLE; SULFAMOXOLE; SULTIAME; TETRACYCLINE;

ALGORITHM; ARTICLE; CONTROLLED STUDY; ENERGY; FRAGMENTATION REACTION; ION CYCLOTRON RESONANCE MASS SPECTROMETRY; ION TRAP MASS SPECTROMETRY; LABORATORY; MASS SPECTROMETER; PRIORITY JOURNAL; TANDEM MASS SPECTROMETRY; TIME OF FLIGHT MASS SPECTROMETRY;

ALGORITHMS; DATABASES, FACTUAL; REFERENCE STANDARDS; TANDEM MASS SPECTROMETRY;

EID: 65649117746     PISSN: 10765174     EISSN: 10969888     Source Type: Journal    
DOI: 10.1002/jms.1545     Document Type: Article

References (34)

1. S. A. McLuckey. Principles of collisional activation in analytical mass spectrometry. Journal of the American Society for Mass Spectrometry 1992, 3, 599.
2. A. K. Shukla, J. H. Futrell. Tandern mass spectrometry: dissociation of ions by collisional activation. Journal of Mass Spectrometry 2000, 35, 1069.
3. V. Gabelica, E. De Pauw. Internal energy and fragmentation of ions produced in electrospray sources. Mass Spectrometry Reviews 2005, 24, 566.
4. J. R. Yates, J. K. Eng, A. L. McCormack 3rd. Mining genomes: correlating tandem mass spectra of modified and unmodified peptides to sequences in nucleotide databases. Analytical'Chemistry 1995, 67, 3202.
5. P. Hernandez, M. Muller, R. D. Appel. Automated protein identification by tandem mass spectrometry: issues and strategies. Mass Spectrometry Reviews 2006, 25, 235.
6. J. L. Stephenson, S. A. McLuckey Jr. Simplification of product ion spectra derived from multiply charged parent ions via ion/ion chemistry. Analytical Chemistry 1998, 70, 3533.
7. J. Laskin, J. H. Futrell. Activation of large ions in FT-ICR mass spectrometry. Mass Spectrometry Reviews 2005, 24, 135.
8. n. Analytical Chemistry 2005, 77, 6250. (Pubitemid 41436960)
9. J. Rozenski, J. A. McCloskey. SOS: a simple interactive program for ab initio oligonucleotide sequencing by mass spectrometry. Journal of the American Society for Mass Spectrometry 2002, 13, 200. (Pubitemid 34552599)
10. H. Oberacher, B. Wellenzohn, C. G. Huber. Comparative sequencing of nucleic acids by liquid chromatography-tandem mass spectrometry. Analytical Chemistry 2002, 74, 211. (Pubitemid 34044446)
11. H. Oberacher, W. Parson, P. J. Oefner, B. M. Mayr, C. G. Huber. Applicability of tandem mass spectrometry to the automated comparative sequencing of long-chain oligonucleotides. Journal of the American Society for Mass Spectrometry 2004, 15, 510. (Pubitemid 38407136)
12. J. R. Yates, J. K. Eng, A. L. McCormack, D. Schieltz 3rd. Method to correlate tandem mass spectra of modified peptides to amino acid sequences in the protein database. Analytical Chemistry 1995, 67, 1426.
13. A. Premstaller, C. G. Huber. Factors determining the performance of triple quadrupole, quadrupole ion trap and sector field mass spectrometers in electrospray ionization tandem mass spectrometry of oligonucleotides. 2. Suitability for de novo sequencing. Rapid Communications in Mass Spectrometry 2001, 15, 1053. (Pubitemid 32606951)
14. J. A. Taylor, R. S. Johnson. Implementation and uses of automated de novo peptide sequencing by tandem mass spectrometry. Analytical Chemistry 2001, 73, 2594. (Pubitemid 32880663)
15. B. Ma, K. Zhang, C. Hendrie, C. Liang, M. Li, A. Doherty-Kirby, G. Lajoie. PEAKS: powerful software for peptide de novo sequencing by tandem mass spectrometry. Rapid Communications in Mass Spectrometry 2003, 17, 2337. (Pubitemid 37243319)
16. H. Oberacher, B. M. Mayr, C. G. Huber. Automated de novo sequencing of nucleic acids by liquid chromatography-tandem mass spectrometry. Journal of the American Society for Mass Spectrometry 2004, 15, 32. (Pubitemid 38091665)
17. B. L. Milman. Identification of chemical compounds. Trends in Analytical Chemistry 2005, 24, 493. (Pubitemid 40798117)
18. J. L. Josephs, M. Sanders. Creation and comparison of MS/MS spectral libraries using quadrupole ion trap and triple-quadrupole mass spectrometers. Rapid Communications in Mass Spectrometry 2004, 18, 743. (Pubitemid 38451019)
19. R. I. Martinez. Instrument-independent tandem mass spectrometry database for XQQ instruments: The dynamical prerequisites. Rapid Communications in Mass Spectrometry 1988, 2, 8.
20. J. V. Johnson, R. A. Yost, P. E. Kelley, D. C. Bradford. Tandem-in-space and tandem-in-time mass spectrometry: triple quadrupoles and quadrupole ion traps. Analytical Chemistry 1990, 62, 2162.
21. C. Hopley, T. Bristow, A. Lubben, A. Simpson, E. Bull, K. Klagkou, J. Herniman, J. Langley. Towards a universal product ion mass spectral library-reproducibility of product ion spectra across eleven different mass spectrometers. Rapid Communications in Mass Spectrometry 2008, 22, 1779.
22. J. L. Josephs. Characterization of over-the-counter cough/cold medications by liquid chromatography/electrospray mass spectrometry. Rapid Communications in Mass Spectrometry 1995, 9, 1270.
23. A. W. Bristow, W. F. Nichols, K. S. Webb, B. Conway. Evaluation of protocols for reproducible electrospray in-source collisionally induced dissociation on various liquid chromatography/mass spectrometry instruments and the development of spectral libraries. Rapid Communications in Mass Spectrometry 2002, 16, 2374. (Pubitemid 36014718)
24. W. Weinmann, M. Stoertzel, S. Vogt, M. Svoboda, A. Schreiber. Tuning compounds for electrospray ionization/in-source collision-induced dissociation and mass spectra library searching. Journal of Mass Spectrometry 2001, 36, 1013. (Pubitemid 32936821)
25. A. W. Bristow, K. S. Webb, A. T. Lubben, J. Halket. Reproducible product-ion tandem mass spectra on various liquid chromatography/mass spectrometry instruments for the development of spectral libraries. Rapid Communications in Mass Spectrometry 2004, 18, 1447. (Pubitemid 38868744)
26. M. J. Bogusz, R. D. Maier, K. D. Kruger, K. S. Webb, J. Romeril, M. L. Miller. Poor reproducibility of in-source collisional atmospheric pressure ionization mass spectra of toxicologically relevant drugs. Journal of Chromatography A 1999, 844, 409. (Pubitemid 29257948)
27. M. Gergov, W. Weinmann, J. Meriluoto, J. Uusitalo, I. Ojanperä. Comparison of product ion spectra obtained by liquid chromatography/triple- quadrupole mass spectrometry for library search. Rapid Communications in Mass Spectrometry 2004, 18, 1039. (Pubitemid 38691366)
28. R. Jansen, G. Lachatre, P. Marquet. LC-MS/MS systematic toxicological analysis: comparison of MS/MS spectra obtained with different instruments and settings. Clinical Biochemistry 2005, 38, 362. (Pubitemid 40342866)
29. H. H. Maurer. Hyphenated mass spectrometric techniques-indispensable tools in clinical and forensic toxicology and in doping control. Journal of Mass Spectrometry 2006, 41, 1399.
30. B. L. Milman. Towards a full reference library of MS (n) spectra. Testing of a library containing 3126 MS2 spectra of 1743 compounds. Rapid Communications in Mass Spectrometry 2005, 19, 2833.
31. M. Pavlic, K. Libiseller, H. Oberacher. Combined use of ESI-QqTOF-MS and ESI-QqTOF-MS/MS with mass-spectral library search for qualitative analysis of drugs. Analytical and Bioanalytical Chemistry 2006, 386, 69. (Pubitemid 44268051)
32. M. Sulyok, F. Berthiller, R. Krska, R. Schuhmacher. Development and validation of a liquid chromatography/tandem mass spectrometric method forthe determination of 39 mycotoxins in wheat and maize. Rapid Communications in Mass Spectrometry 2006, 20, 2649. (Pubitemid 44497392)
33. J. M. Hough, C. A. Haney, R. D. Voyksner, R. D. Bereman. Evaluation of electrospray transport CID for the generation of searchable libraries. Analytical Chemistry 2000, 72, 2265. (Pubitemid 30322290)
34. F. L. Sauvage, F. Saint-Marcoux, B. Duretz, D. Deporte, G. Lachatre, P. Marquet. Screening of drugs and toxic compounds with liquid chromatography- linear ion traptandem mass spectrometry. Clinical Chemistry 2006, 52, %1735. (Pubitemid 44330708)