Preliminary Acyl Carnitine Library

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
Library Instrument NCE Download Link
Carnitine HCD 20 (361.46 KiB)
HCD 25 (590.97 KiB)
HCD 30 (698.25 KiB)
HCD 40 (662.24 KiB)
HCD 50 (611.81 KiB)
chemdata/nist17/carnitine.txt · Last modified: 2017/06/15 12:44 (external edit)

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