Spectral Accuracy and Sulfur Counting Capabilities of the LTQ-FT-ICR and the LTQ-Orbitrap XL for Small Molecule Analysis
In: Journal of the American Society for Mass Spectrometry, Jg. 22 (2011), Heft 12, S. 2269-2275
academicJournal
- print, 20 ref
Zugriff:
Color Index Disperse Yellow 42 (DY42), a high-volume disperse dye for polyester, was used to compare the capabilities of the LTQ-Orbitrap XL and the LTQ-FT-ICR with respect to mass measurement accuracy (MMA), spectral accuracy, and sulfur counting. The results of this research will be used in the construction of a dye database for forensic purposes; the additional spectral information will increase the confidence in the identification of unknown dyes found in fibers at crime scenes. Initial LTQ-Orbitrap XL data showed MMAs greater than 3 ppm and poor spectral accuracy. Modification of several Orbitrap installation parameters (e.g., deflector voltage) resulted in a significant improvement of the data. The LTQ-FT-ICR and LTQ-Orbitrap XL (after installation parameters were modified) exhibited MMA <3 ppm, good spectral accuracy (X2 values for the isotopic distribution ≤2), and were correctly able to ascertain the number of sulfur atoms in the compound at all resolving powers investigated for AGC targets of 5.00×105 and 1.00×106.
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Spectral Accuracy and Sulfur Counting Capabilities of the LTQ-FT-ICR and the LTQ-Orbitrap XL for Small Molecule Analysis
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Autor/in / Beteiligte Person: | BLAKE, Samantha L ; HUNTER WALKER, S ; MUDDIMAN, David C ; HINKS, David ; BECK, Keith R |
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Zeitschrift: | Journal of the American Society for Mass Spectrometry, Jg. 22 (2011), Heft 12, S. 2269-2275 |
Veröffentlichung: | Amsterdam: Elsevier, 2011 |
Medientyp: | academicJournal |
Umfang: | print, 20 ref |
ISSN: | 1044-0305 (print) |
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