Journal
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
Volume 22, Issue 12, Pages 2269-2275Publisher
SPRINGER
DOI: 10.1007/s13361-011-0244-3
Keywords
Electrospray ionization; FT-ICR-MS; Orbitrap-MS; Forensic analysis; Textiles; Trace evidence
Funding
- National Science Foundation [IIS0941421]
- NIH/NCSU [5T32GM00-8776-08]
- W. M. Keck Foundation
- North Carolina State University
- Direct For Computer & Info Scie & Enginr
- Div Of Information & Intelligent Systems [0941421] Funding Source: National Science Foundation
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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 <= 3ppm, good spectral accuracy (X-2 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 5.00x10(5) and 1.00x10(6).
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