A library of atmospheric pressure ionization daughter ion mass spectra based on wideband excitation in an ion trap mass spectrometer

Baumann, Christian; Cintora, Maria A.; Eichler, Matthias; Lifante, Elisabeth; Cooke, Michael; Przyborowska, A.; Halket, John M.

doi:10.1002/(sici)1097-0231(20000315)14:5<349::aid-rcm873>3.3.co;2-g

Cited by 30 publications

(65 citation statements)

References 6 publications

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“…It is therefore not surprising that spectra obtained in an LC-MS-MS system do not match corresponding library spectra of a different system and especially not of a GC-MS library [2,[12][13][14]. An example is shown in Fig.…”

Section: Unequivocal Identification With Data-dependent Ms-msmentioning

confidence: 99%

Quantification of benzodiazepines in whole blood and serum

Dussy¹,

Hamberg²,

Briellmann³

2005

Int J Legal Med

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A high-performance liquid chromatography method for the determination of benzodiazepines and their metabolites in whole blood and serum using mass spectrometry (MS) and photodiode array (PDA) detection is presented. The combination of both detection types can complement each other and provides extensive case relevant data. The limits of quantification (LOQ) with the MS detection lie between 2 and 3 microg/l for the following benzodiazepines or metabolites: 7-amino-flunitrazepam, alprazolam, desalkyl-flurazepam, desmethyl-flunitrazepam, diazepam, flunitrazepam, flurazepam, alpha-hydroxy-midazolam, lorazepam, midazolam, nitrazepam, nordazepam and oxazepam, respectively 5 microg/l for lormetazepam and 6 microg/l for bromazepam. The LOQ of clobazam determined with the PDA detector is 10 microg/l. A convenient approach for determining the measurement uncertainty of the presented method--applicable also for other methods in an accreditation process--is presented. At low concentrations (<10 microg/l), measurement uncertainty was estimated to be about 50%, and at concentrations >180 microg/l, it was estimated to be about 15%. One hundred and twenty-eight case data acquired over 1 year are summarised.

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Section: Unequivocal Identification With Data-dependent Ms-msmentioning

confidence: 99%

Quantification of benzodiazepines in whole blood and serum

Dussy¹,

Hamberg²,

Briellmann³

2005

Int J Legal Med

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“…During the past few years soft ionization methods were intensively used for investigation of morphine and its metabolites (Baumann et al, 2000;Schanzle et al, 1999;Slawson et al, 1999;Weinmann and Svoboda, 1998). Recently, based on investigations with an ion trap mass spectrometer and a triple quadrupole system the fragmentation pathways of the [M + H] þ ions of morphinans could be elucidated in our group (Raith et al, 2003).…”

Section: Elucidation Of Fragment Ionsmentioning

confidence: 99%

Evaluation of the mass spectrometric fragmentation of codeine and morphine after 13C-isotope biosynthetic labeling

Poeaknapo¹,

Fisinger²,

Zenk³

et al. 2004

Phytochemistry

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“…These compounds are basic and the ion observed was the protonated molecule [M+H] + , except for hexythiazox, the mass spectrum of which gave also the fragment m/z 228 corresponding to the characteristic fragment [M+H- A further property of ion traps is that the effective imparted energy decreases as the mass of the precursor increases. A linear relationship has been found between the mass and the energy transferred so that a mass-dependent correction can be automatically applied to the collision energy to give the so-called "normalized collision energy" [117]. A searchable library based on these developments has been reported.…”

Section: Pesticides and Transformation Products (Tps)mentioning

confidence: 99%

Liquid Chromatography-Ion Trap-Mass Spectrometry and its Application to Determine Organic Contaminants in the Environment and Food

Andreu¹,

Picó

2005

CAC

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Recent experiences with liquid chromatography-quadrupole ion trap-mass spectrometry (LC-QIT-MS), as an analytical tool for determining trace amounts of organic contaminants in food and environmental samples, are addressed in this review. A brief introduction to the fundamental theory for quadrupole ion trap devices illustrates possibilities and limitations of this technique. Special attention is paid to the impact of sample preparation and chromatography on the ionization efficiency of analytes isolated from complex food and environmental matrices. The capacity to provide useful data for quantifying organic contaminants, and the possibility of obtaining structural information for identifying target and non-target compounds, are discussed. The flexibility, high sensitivity and multi-stage tandem mass spectrometric capability of the QIT are all illustrated. Contemporary applications of this technique to study organic contaminants in food and environment are presented.

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A library of atmospheric pressure ionization daughter ion mass spectra based on wideband excitation in an ion trap mass spectrometer

Cited by 30 publications

References 6 publications

Quantification of benzodiazepines in whole blood and serum

Quantification of benzodiazepines in whole blood and serum

Evaluation of the mass spectrometric fragmentation of codeine and morphine after 13C-isotope biosynthetic labeling

Liquid Chromatography-Ion Trap-Mass Spectrometry and its Application to Determine Organic Contaminants in the Environment and Food

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