An 8-(Diazomethyl) Quinoline Derivatized Acyl-CoA In Silico Mass Spectral Library Reveals the Landscape of Acyl-CoA in the Aging Mouse Organs (Data Supplement)

Data supplement for publication "An 8-(Diazomethyl) Quinoline Derivatized Acyl-CoA In Silico Mass Spectral Library Reveals the Landscape of Acyl-CoA in the Aging Mouse Organs (Data Supplement)" (2024)

Jinhui Yu1†, Menghao Guo1,3†, Sha Li5, Jian Ni2, Yu-Qi Feng4,5*, Jun Ding1,2*

1. CAS Key Laboratory of Plant Germplasm Enhancement and Specialty Agriculture, Wuhan Botanical Garden, Chinese Academy of Sciences, Wuhan, 430074, PR China.

2. Renmin Hospital of Wuhan University, Wuhan University, 430072, Wuhan, P. R. China.

3. College of Life Sciences, Wuhan University, Wuhan 430072, China.

4. School of Bioengineering and Health, Wuhan Textile University, Wuhan 430200, China.

5. Frontier Science Center for Immunology and Metabolism, Wuhan University, Wuhan, 430071, China.

†The authors contribute equally to this work.

* Corresponding author Email: [e-mail], [e-mail]

----Content:1) Developement: XLS template sheet for development (can be used to adjust or create new library)2) MSP library: spectra in NIST MSP format (use with MS-Dial or NIST MS Search)3) NIST library: NIST23 compatible 8-DMQ-acyl-CoA library (use with NIST MS Search)4) Reference spectra msp: 8-DMQ-acyl-CoA authentic MS/MS spectrum in NIST MSP format (generated by Thermo QE HF-X MS (HCD), for searching NIST MS-Search)

Version 1.0April 22 2024