| SpectraBase Compound ID | Ehuh0f4cvgz |
|---|---|
| InChI | InChI=1S/C29H52O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-29(32)34-27(25-30)26-33-28(31)23-21-19-8-6-4-2/h10-11,13-14,27,30H,3-9,12,15-26H2,1-2H3/b11-10-,14-13- |
| InChIKey | BGDIOBIONVKNIY-XVTLYKPTNA-N |
| Mol Weight | 480.7 g/mol |
| Molecular Formula | C29H52O5 |
| Exact Mass | 480.381475 g/mol |
Mass Spectrum (LC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KXoLhyJTx5v |
|---|---|
| Name | DG 26:2 |
| Classification | Glycerolipids [GL] |
| Comments | Diacylglycerol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 480.381474769 u |
| Formula | C29H52O5 |
| InChI | InChI=1S/C29H52O5/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-24-29(32)34-27(25-30)26-33-28(31)23-21-19-8-6-4-2/h10-11,13-14,27,30H,3-9,12,15-26H2,1-2H3/b11-10-,14-13- |
| InChIKey | BGDIOBIONVKNIY-XVTLYKPTNA-N |
| Ion Polarity | P |
| Literature Reference | Tsugawa, H.; Ikeda, K.; Takahashi, M.; Satoh, A.; Mori, Y.; Uchino, H.; Okahashi, N.; Yamada, Y.; Tada, I.; Bonini, P.; Higashi, Y.; Okazaki, Y.; Zhou, Z.; Zhu, Z.-J.; Koelmel, J.; Cajka, T.; Fiehn, O.; Saito, K.; Arita, M.; Arita, M. A Lipidome Atlas in MS-DIAL 4. Nature Biotechnology 2020, 38 (10), 1159–1163. |
| Literature Reference DOI | https://doi.org/10.1038/s41587-020-0531-2 |
| Precursor Ion | [M+Na]+ |
| SMILES | CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |