| SpectraBase Compound ID | HmYetcUnovM |
|---|---|
| InChI | InChI=1S/C43H85NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-41(47)43(49)44-39(38-45)42(48)40(46)36-34-32-30-28-14-12-10-8-6-4-2/h22-23,39-42,45-48H,3-21,24-38H2,1-2H3,(H,44,49)/b23-22- |
| InChIKey | IWAPQAXVFNGMKR-FCQUAONHNA-N |
| Mol Weight | 696.2 g/mol |
| Molecular Formula | C43H85NO5 |
| Exact Mass | 695.642775 g/mol |
Mass Spectrum (LC)
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EOm2kqsxbJs |
|---|---|
| Name | Cer 16:0;3O/27:1;(2OH) |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 695.642774836 u |
| Formula | C43H85NO5 |
| InChI | InChI=1S/C43H85NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-41(47)43(49)44-39(38-45)42(48)40(46)36-34-32-30-28-14-12-10-8-6-4-2/h22-23,39-42,45-48H,3-21,24-38H2,1-2H3,(H,44,49)/b23-22- |
| InChIKey | IWAPQAXVFNGMKR-FCQUAONHNA-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+CH3COO]- |
| SMILES | CCCCCCCCCCCCCC\C=C/CCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |