Mass Spectrometry Data center
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An experimental Carnitine Library, extracted from runs on NIST Urine Standard Reference Materials, is provided – with each of 5 collision energies represented as a single library (NCE=20, 25, 30, 40 and 50). This is based on work presented at the ASMS 2017 Conference by Xinjian Yan “Differentiation of Acylcarnitine Isomers Based on LC-MS/MS Mass Spectra and Development of an Accurate Mass Spectral Library”.
Its use requires a copy of the NIST MS search program (available on the site). Searching the main NIST 17 library with the ‘MS/MS Hybrid Search’ will assist in structure elucidation.
The urine (pooled) reference materials used were:
|3667||Normal human urine|
|3671-1||Normal human urine|
|3671-2||Nonsmokers, exposure to “secondhand” smoke|
|3671-3||Smokers at least one pack of cigarettes per day|
|3672||Similar to 3671-3|
|3673||Normal human urine|