SpectraBase Compound ID | rXAQXpk5py |
---|---|
InChI | InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2 |
InChIKey | YZUUTMGDONTGTN-UHFFFAOYSA-N |
Mol Weight | 414.5 g/mol |
Molecular Formula | C18H38O10 |
Exact Mass | 414.246497 g/mol |
SpectraBase Spectrum ID | GXnRuwmzZAv |
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Name | PEG_PEG-9 |
Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 414.246497414 u |
Formula | C18H38O10 |
InChI | InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2 |
InChIKey | YZUUTMGDONTGTN-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 | 432.28 |
SMILES | OCCOCCOCCOCCOCCOCCOCCOCCOCCO |
Sample Comments | PEG = polyethylene glycol |