Mass Spectrometry Data center
Mass Spectrometry Data center
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 | ac_hcd20.zip |
HCD | 25 | ac_hcd25.zip | |
HCD | 30 | ac_hcd30.zip | |
HCD | 40 | ac_hcd40.zip | |
HCD | 50 | ac_hcd50.zip |