| SpectraBase Compound ID | 7qpbU4fk926 |
|---|---|
| InChI | InChI=1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2 |
| InChIKey | DTPCFIHYWYONMD-UHFFFAOYSA-N |
| Mol Weight | 458.5 g/mol |
| Molecular Formula | C20H42O11 |
| Exact Mass | 458.272712 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 3xyqf2P1Gwr |
|---|---|
| Name | PEG_PEG-10 |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.272712161 u |
| Formula | C20H42O11 |
| InChI | InChI=1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2 |
| InChIKey | DTPCFIHYWYONMD-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 | 476.306 |
| SMILES | OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
| Sample Comments | PEG = polyethylene glycol |