| SpectraBase Compound ID | JOq3YBNm8qD |
|---|---|
| InChI | InChI=1S/C43H85NO3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-43(47)44-41(40-45)42(46)38-36-8-6-4-2/h15-16,41-42,45-46H,3-14,17-40H2,1-2H3,(H,44,47)/b16-15- |
| InChIKey | NQHUEUGTYSASPV-NXVVXOECNA-N |
| Mol Weight | 664.2 g/mol |
| Molecular Formula | C43H85NO3 |
| Exact Mass | 663.652946 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 | BDXZkDu6bpt |
|---|---|
| Name | Cer 9:0;2O/34:1 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide non-hydroxyfatty acid-dihydrosphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 663.652945598 u |
| Formula | C43H85NO3 |
| InChI | InChI=1S/C43H85NO3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-39-43(47)44-41(40-45)42(46)38-36-8-6-4-2/h15-16,41-42,45-46H,3-14,17-40H2,1-2H3,(H,44,47)/b16-15- |
| InChIKey | NQHUEUGTYSASPV-NXVVXOECNA-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 | CCCCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |