| SpectraBase Compound ID | auNLphyHC6 |
|---|---|
| InChI | InChI=1S/C46H88O4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-35-39-43-46(49)50-44(41-37-33-31-34-38-42-45(47)48)40-36-32-29-27-12-10-8-6-4-2/h17-18,44H,3-16,19-43H2,1-2H3,(H,47,48)/b18-17- |
| InChIKey | ZYNKACOKCCCNGF-ZCXUNETKNA-N |
| Mol Weight | 705.2 g/mol |
| Molecular Formula | C46H88O4 |
| Exact Mass | 704.668261 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 | 9KXeCrReo5z |
|---|---|
| Name | FAHFA 26:1/20:0 |
| Classification | Fatty acyls [FA] |
| Comments | Fatty acid ester of hydroxyl fatty acid |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 704.668261310 u |
| Formula | C46H88O4 |
| InChI | InChI=1S/C46H88O4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-35-39-43-46(49)50-44(41-37-33-31-34-38-42-45(47)48)40-36-32-29-27-12-10-8-6-4-2/h17-18,44H,3-16,19-43H2,1-2H3,(H,47,48)/b18-17- |
| InChIKey | ZYNKACOKCCCNGF-ZCXUNETKNA-N |
| Ion Polarity | N |
| 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-H]- |
| SMILES | CCCCCCCCCCCC(CCCCCCCC(O)=O)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |