| SpectraBase Compound ID | 6mxHdAXUn0d |
|---|---|
| InChI | InChI=1S/C21H44O11/c1-23-4-5-25-8-9-27-12-13-29-16-17-31-20-21-32-19-18-30-15-14-28-11-10-26-7-6-24-3-2-22/h22H,2-21H2,1H3 |
| InChIKey | YMBLPWKGRIGDBP-UHFFFAOYSA-N |
| Mol Weight | 472.6 g/mol |
| Molecular Formula | C21H44O11 |
| Exact Mass | 472.288362 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 3zKeaqoSPcn |
|---|---|
| Name | MethylPEG_PEG-10 |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 472.288362226 u |
| Formula | C21H44O11 |
| InChI | InChI=1S/C21H44O11/c1-23-4-5-25-8-9-27-12-13-29-16-17-31-20-21-32-19-18-30-15-14-28-11-10-26-7-6-24-3-2-22/h22H,2-21H2,1H3 |
| InChIKey | YMBLPWKGRIGDBP-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 | 490.322 |
| SMILES | COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
| Sample Comments | PEG = polyethylene glycol |