| SpectraBase Spectrum ID |
LHpaEukMjLJ |
| Name |
(+-)-Acetylcarnitine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
870-77-9 |
| Comments |
100 mM (+-)-Acetylcarnitine chloride - vendor: TOCRIS 0355; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C9H17NO4 |
| IUPAC Name |
3-acetyloxy-4-trimethylammonio-butanoate; 3-acetoxy-4-trimethylammonio-butanoate |
| InChI |
InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3 |
| InChIKey |
RDHQFKQIGNGIED-UHFFFAOYSA-N |
| PubChem Compound ID |
1 |
| SMILES |
CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C |
| Source File Reference |
bmse000142 |
