2005
DOI: 10.1016/j.trac.2005.03.013
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Identification of chemical compounds

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Cited by 74 publications
(38 citation statements)
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“…Furthermore, the chromatographic resolution shown for these water samples was poor, rendering library identification of specific compounds problematic (Budde, 2001). It has been suggested that matching spectra from a transferable reference database (EI spectra) is less reliable than matching the retention time of a known standard (Milman, 2005) and that matching factors ''are not to be used in a quantitative way'' (Stein, 1994).…”
Section: Discussionmentioning
confidence: 99%
“…Furthermore, the chromatographic resolution shown for these water samples was poor, rendering library identification of specific compounds problematic (Budde, 2001). It has been suggested that matching spectra from a transferable reference database (EI spectra) is less reliable than matching the retention time of a known standard (Milman, 2005) and that matching factors ''are not to be used in a quantitative way'' (Stein, 1994).…”
Section: Discussionmentioning
confidence: 99%
“…In case where too many structures are proposed for the potential empirical formulas, we successfully reduced the number by utilizing the large NIST-EI database with its constrains functionality, despite the well known dissimilarity between ESI/MS/MS and EI/MS spectra [23].…”
Section: Introductionmentioning
confidence: 99%
“…Since the outcome of a toxicological analysis can have pivotal judicial, social, personal and/or economic consequences, approaches in this area need to be scientifically sound and legally defensible [1]. Thus, identification of pharmacologically active, toxic, and/or illicit drugs in samples like seizures, counterfeits, and biological specimens should be based on the comparison of results from a number of tests with reference data on all substances that may come into consideration [2]. Gas chromatography hyphenated to mass spectrometry (GC/MS) is regarded as golden standard for most types of general unknown screening (GUS) analyses [3].…”
Section: Introductionmentioning
confidence: 99%