| SpectraBase Compound ID | kqdmrtWZM8 |
|---|---|
| InChI | InChI=1S/C46H93NO5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-44(50)46(52)47-42(41-48)45(51)43(49)39-6-4-2/h42-45,48-51H,3-41H2,1-2H3,(H,47,52) |
| InChIKey | CGSKZQIXJRXZKD-UHFFFAOYNA-N |
| Mol Weight | 740.3 g/mol |
| Molecular Formula | C46H93NO5 |
| Exact Mass | 739.705375 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 | BF9JXBiO8Tu |
|---|---|
| Name | Cer 8:0;3O/38:0;(2OH) |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 739.705375094 u |
| Formula | C46H93NO5 |
| InChI | InChI=1S/C46H93NO5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-44(50)46(52)47-42(41-48)45(51)43(49)39-6-4-2/h42-45,48-51H,3-41H2,1-2H3,(H,47,52) |
| InChIKey | CGSKZQIXJRXZKD-UHFFFAOYNA-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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |