LipidBlast Templates As Flexible Tools for Creating New in-Silico Tandem Mass Spectral Libraries
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چکیده
منابع مشابه
LipidBlast Templates As Flexible Tools for Creating New in-Silico Tandem Mass Spectral Libraries
Tandem mass spectral libraries (MS/MS) are usually built by acquiring experimentally measured mass spectra from chemical reference compounds. We here show the versatility of in-silico or computer generated tandem mass spectra that are directly obtained from compound structures. We use the freely available LipidBlast development software to generate 15 000 MS/MS spectra of the glucuronosyldiacyl...
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ژورنال
عنوان ژورنال: Analytical Chemistry
سال: 2014
ISSN: 0003-2700,1520-6882
DOI: 10.1021/ac502511a