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Titolo:
Tuning compounds for electrospray ionization/in-source collision-induced dissociation and mass spectra library searching
Autore:
Weinmann, W; Stoertzel, M; Vogt, S; Svoboda, M; Schreiber, A;
Indirizzi:
Univ Freiburg, Univ Hosp, Inst Med Legale, D-79104 Freiburg, Germany Univ Freiburg Freiburg Germany D-79104 Legale, D-79104 Freiburg, Germany Appl Biosys GmbH, D-63225 Langen, Germany Appl Biosys GmbH Langen Germany D-63225 ys GmbH, D-63225 Langen, Germany
Titolo Testata:
JOURNAL OF MASS SPECTROMETRY
fascicolo: 9, volume: 36, anno: 2001,
pagine: 1013 - 1023
SICI:
1076-5174(200109)36:9<1013:TCFEIC>2.0.ZU;2-G
Fonte:
ISI
Lingua:
ENG
Soggetto:
ATMOSPHERIC-PRESSURE; SPECTROMETRY; DRUGS; TOXICOLOGY;
Keywords:
tuning compound; electrospray ionization; in-source collision-induced dissociation; mass spectra library searching; general-unknown screening;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Life Sciences
Physical, Chemical & Earth Sciences
Citazioni:
28
Recensione:
Indirizzi per estratti:
Indirizzo: Weinmann, W Univ Freiburg, Univ Hosp, Inst Med Legale, Albertstr 9, D-79104 Freiburg, Germany Univ Freiburg Albertstr 9 Freiburg Germany D-79104 g, Germany
Citazione:
W. Weinmann et al., "Tuning compounds for electrospray ionization/in-source collision-induced dissociation and mass spectra library searching", J MASS SPEC, 36(9), 2001, pp. 1013-1023

Abstract

Tuning compounds for positive and negative electrospray ionization (ESI) were tested for the tuning of in-source collision-induced dissociation (ESI/CID) with three types of SCIEX API instruments (API 365, 2000 and 3000) in the single-quadrupole mode. The vacuum interfaces of these instruments differ slightly in geometry, but the principles of ionization and solvent evaporation by nebulizer and curtain gases, orifice and skimmer are identical. For comparison of in-source CID, breakdown curves of haloperidol, paracetamol, metronidazole and metamizole were acquired by increasing the orifice voltages. The API 2000 and 3000 required higher orifice voltages than did the API 365 to induce a similar degree of fragmentation of the protonated or deprotonated molecules to characteristic fragment ions. This increase of orifice voltage could be demonstrated with each of the four compounds tested bya shift of the maxima of the breakdown curves to higher orifice voltages. A procedure with three collision energy (CE) levels for drug identificationwith a mass spectra library set up with an API 365 therefore required an adjustment of the orifice voltages to higher values when being transferred to an API 2000 or API 3000. The corresponding orifice voltages for the threeinstruments were 20/50/80 V (API 365), 30/90/130 V (API 2000) and 40/80/120 V (API 3000). However, a change in orifice voltage of +/- 10 V (with the API 2000 and 3000) hardly influenced the fit values of a library search foreach single CE level. For adjusting orifice voltages with different instruments, a tuning procedure with haloperidol and paracetamol is presented. With this tuning procedure an ESI/CID mass spectra library set up for API 365and API 130 could also be used for drug identification with an API 2000 and an API 3000 with good library search results. Copyright (C) 2001 John Wiley & Sons, Ltd.

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Documento generato il 30/03/20 alle ore 19:40:56