| SpectraBase Compound ID | 52hTtIQxQQ |
|---|---|
| InChI | InChI=1S/C41H65NO3/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(45)42-39(38-43)40(44)36-34-32-30-28-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19-20,22-23,25-26,28-29,31,34,36,39-40,43-44H,3-4,6,8-10,12,15,18,21,24,27,30,32-33,35,37-38H2,1-2H3,(H,42,45)/b7-5-,13-11-,17-16-,20-19-,23-22-,26-25-,28-14+,31-29-,36-34+ |
| InChIKey | FCFKICBCTJGEMP-WSMKGCRXNA-N |
| Mol Weight | 620.0 g/mol |
| Molecular Formula | C41H65NO3 |
| Exact Mass | 619.496445 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 | Eqm4nw8Hp2p |
|---|---|
| Name | Cer 15:2;2O/26:7 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide non-hydroxyfatty acid-sphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 619.496444954 u |
| Formula | C41H65NO3 |
| InChI | InChI=1S/C41H65NO3/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(45)42-39(38-43)40(44)36-34-32-30-28-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19-20,22-23,25-26,28-29,31,34,36,39-40,43-44H,3-4,6,8-10,12,15,18,21,24,27,30,32-33,35,37-38H2,1-2H3,(H,42,45)/b7-5-,13-11-,17-16-,20-19-,23-22-,26-25-,28-14+,31-29-,36-34+ |
| InChIKey | FCFKICBCTJGEMP-WSMKGCRXNA-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+HCOO]- |
| SMILES | CCCCCC\C=C\CC\C=C\C(O)C(CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |