| SpectraBase Compound ID | 8M71ILuXea1 |
|---|---|
| InChI | InChI=1S/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3 |
| InChIKey | ZNYRFEPBTVGZDN-UHFFFAOYSA-N |
| Mol Weight | 208.25 g/mol |
| Molecular Formula | C9H20O5 |
| Exact Mass | 208.131074 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | D3u67Mg5wSW |
|---|---|
| Name | MethylPEG_PEG-4 |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.131073739 u |
| Formula | C9H20O5 |
| InChI | InChI=1S/C9H20O5/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h10H,2-9H2,1H3 |
| InChIKey | ZNYRFEPBTVGZDN-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 | 226.165 |
| SMILES | COCCOCCOCCOCCO |
| Sample Comments | PEG = polyethylene glycol |