| SpectraBase Compound ID | FXO8AbMEHFK |
|---|---|
| InChI | InChI=1S/C23H48O12/c1-25-4-5-27-8-9-29-12-13-31-16-17-33-20-21-35-23-22-34-19-18-32-15-14-30-11-10-28-7-6-26-3-2-24/h24H,2-23H2,1H3 |
| InChIKey | VWDQSWKLHABGKL-UHFFFAOYSA-N |
| Mol Weight | 516.6 g/mol |
| Molecular Formula | C23H48O12 |
| Exact Mass | 516.314577 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | K4s0nc6gIaP |
|---|---|
| Name | MethylPEG_PEG-11 |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 516.314576974 u |
| Formula | C23H48O12 |
| InChI | InChI=1S/C23H48O12/c1-25-4-5-27-8-9-29-12-13-31-16-17-33-20-21-35-23-22-34-19-18-32-15-14-30-11-10-28-7-6-26-3-2-24/h24H,2-23H2,1H3 |
| InChIKey | VWDQSWKLHABGKL-UHFFFAOYSA-N |
| Ion Polarity | P |
| Literature Reference | Koelmel, J. P.; Stelben, P.; Oranzi, N.; Kummer, M.; Godri, D.; Qi, J.; Rennie, E. E.; Lin, E.; Weil, D.; Godri, K. J. PolyMatch: Novel Libraries, Algorithms, and Visualizations for Discovering Polymers and Chemical Series. Journal of the American Society for Mass Spectrometry 2024, 35 (3), 413–420. |
| Literature Reference DOI | 10.1021/jasms.3c00313 |
| Precursor Ion | [M+NH4]+ |
| Precursor m/z | 534.348 |
| SMILES | COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
| Sample Comments | PEG = polyethylene glycol |