USGS Digital Spectral Library splib06a

Data Series ◽  
10.3133/ds231 ◽  
2007 ◽  
Author(s):  
Roger N. Clark ◽  
Gregg A. Swayze ◽  
Richard A. Wise ◽  
K. Eric Livo ◽  
Todd M. Hoefen ◽  
...  
Keyword(s):  
2016 ◽  
Vol 5 (1) ◽  
pp. 1787-1794
Author(s):  
Ramdas D. Gore ◽  
◽  
Reena H. Chaudhari ◽  
Bharti W. Gawali ◽  
Keyword(s):  

2017 ◽  
Vol 68 (11) ◽  
pp. 2704-2707
Author(s):  
Delia Nica Badea ◽  
Codrina Levai

The paper evaluates the presence of methyl xanthine compounds: caffeine, theophylline, theobromine used as ingredients in carbonated soft drinks or as color and flavor ingredients in alcoholic beverages. The active components extracted from the selected products (coffee, tea, drinks) was separated and identified chromatographically using plates with silica nano -Sil NH2 / UV-254, mobile phase ethanol - water (50: 1, 50: 3, 50: 5; 50: 7; v / v) and 60 F254 plates, mobile phase acetone-toluene-chloroform (40:30:30 v / v). Separated caffeine and identified by TLC was analyzed using a HelWet Packard 5890 Gas Chromatograph equipped with MS 5972 mass detector and spectral library to confirm identification. This simple and rapid TLC, GC / MS instrumental method is useful in controlling traces of methyl xanthine compounds in food as a food safety measure.is useful in controlling traces compound of food products containing methylxanthines as a food safety measure.


PROTEOMICS ◽  
2007 ◽  
Vol 7 (5) ◽  
pp. 655-667 ◽  
Author(s):  
Henry Lam ◽  
Eric W. Deutsch ◽  
James S. Eddes ◽  
Jimmy K. Eng ◽  
Nichole King ◽  
...  

Author(s):  
Kelly H. Telu ◽  
Ramesh Marupaka ◽  
Nirina R. Andriamaharavo ◽  
Yamil Simón‐Manso ◽  
Yuxue Liang ◽  
...  
Keyword(s):  

Author(s):  
Darren R Allen ◽  
Christopher Warnholtz ◽  
Brett C McWhinney

Abstract An interference resulting in the false-positive detection of the synthetic cathinone 4-MePPP in urine was suspected following the recent addition of 4-MePPP spectral data to an LC-QTOF-MS drug library. Although positive detection criteria were achieved, it was noted that all urine samples suspected of containing 4-MePPP also concurrently contained high levels of tramadol and its associated metabolites. Using QTOF-MS software elucidation tools, candidate compounds for the suspected interference were proposed. To provide further confidence in the identity of the interference, in silico fragmentation tools were used to match product ions generated in the analysis with product ions predicted from the theoretical fragmentation of candidate compounds. The ability of the suspected interference to subsequently produce the required product ions for spectral library identification of 4-MePPP was also tested. This information was used to provide a high preliminary confidence in the compound identity prior to purchase and subsequent confirmation with certified reference material. A co-eluting isobaric interference was identified and confirmed as an in-source fragment of the tramadol metabolite, N,N-bisdesmethyltramadol. Proposed resolutions for this interference are also described and subsequently validated by retrospective interrogation of previous cases of suspected interference.


2020 ◽  
Vol 7 (1) ◽  
Author(s):  
Harshi Weerakoon ◽  
Jeremy Potriquet ◽  
Alok K. Shah ◽  
Sarah Reed ◽  
Buddhika Jayakody ◽  
...  

AbstractData independent analysis (DIA) exemplified by sequential window acquisition of all theoretical mass spectra (SWATH-MS) provides robust quantitative proteomics data, but the lack of a public primary human T-cell spectral library is a current resource gap. Here, we report the generation of a high-quality spectral library containing data for 4,833 distinct proteins from human T-cells across genetically unrelated donors, covering ~24% proteins of the UniProt/SwissProt reviewed human proteome. SWATH-MS analysis of 18 primary T-cell samples using the new human T-cell spectral library reliably identified and quantified 2,850 proteins at 1% false discovery rate (FDR). In comparison, the larger Pan-human spectral library identified and quantified 2,794 T-cell proteins in the same dataset. As the libraries identified an overlapping set of proteins, combining the two libraries resulted in quantification of 4,078 human T-cell proteins. Collectively, this large data archive will be a useful public resource for human T-cell proteomic studies. The human T-cell library is available at SWATHAtlas and the data are available via ProteomeXchange (PXD019446 and PXD019542) and PeptideAtlas (PASS01587).


Geoderma ◽  
2012 ◽  
Vol 183-184 ◽  
pp. 41-48 ◽  
Author(s):  
A.H. Cambule ◽  
D.G. Rossiter ◽  
J.J. Stoorvogel ◽  
E.M.A. Smaling

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