| SpectraBase Compound ID | 7oMzrT0wzKF |
|---|---|
| InChI | InChI=1S/C24H47NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-24(28)25-22(21-26)23(27)19-17-6-4-2/h10-11,22-23,26-27H,3-9,12-21H2,1-2H3,(H,25,28)/b11-10- |
| InChIKey | KRWNRBZFMWLAAW-KHPPLWFENA-N |
| Mol Weight | 397.6 g/mol |
| Molecular Formula | C24H47NO3 |
| Exact Mass | 397.355594 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 6vhfwlnzrVV |
|---|---|
| Name | Cer 8:0;2O/16:1 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide non-hydroxyfatty acid-dihydrosphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.355594374 u |
| Formula | C24H47NO3 |
| InChI | InChI=1S/C24H47NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-24(28)25-22(21-26)23(27)19-17-6-4-2/h10-11,22-23,26-27H,3-9,12-21H2,1-2H3,(H,25,28)/b11-10- |
| InChIKey | KRWNRBZFMWLAAW-KHPPLWFENA-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/CCCCCCCC(=O)NC(CO)C(O)CCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |