| SpectraBase Compound ID | DHLbqMhLD5u |
|---|---|
| InChI | InChI=1S/C19H40O10/c1-21-4-5-23-8-9-25-12-13-27-16-17-29-19-18-28-15-14-26-11-10-24-7-6-22-3-2-20/h20H,2-19H2,1H3 |
| InChIKey | VVHAVLIDQNWEKF-UHFFFAOYSA-N |
| Mol Weight | 428.5 g/mol |
| Molecular Formula | C19H40O10 |
| Exact Mass | 428.262147 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 5X7nQyhOMqf |
|---|---|
| Name | MethylPEG_PEG-9 |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.262147478 u |
| Formula | C19H40O10 |
| InChI | InChI=1S/C19H40O10/c1-21-4-5-23-8-9-25-12-13-27-16-17-29-19-18-28-15-14-26-11-10-24-7-6-22-3-2-20/h20H,2-19H2,1H3 |
| InChIKey | VVHAVLIDQNWEKF-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 | 446.296 |
| SMILES | COCCOCCOCCOCCOCCOCCOCCOCCOCCO |
| Sample Comments | PEG = polyethylene glycol |