| SpectraBase Compound ID | B5bJhK7lQvM |
|---|---|
| InChI | InChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-36-40(45)42(47)39(38-44)43-41(46)37-35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h39-40,42,44-45,47H,3-38H2,1-2H3,(H,43,46) |
| InChIKey | BKLIPIPMLRTOMR-UHFFFAOYNA-N |
| Mol Weight | 668.1 g/mol |
| Molecular Formula | C42H85NO4 |
| Exact Mass | 667.64786 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | GHDtpEpML0R |
|---|---|
| Name | Cer 24:0;3O/18:0 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide non-hydroxyfatty acid-phytospingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 667.647860217 u |
| Formula | C42H85NO4 |
| InChI | InChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-36-40(45)42(47)39(38-44)43-41(46)37-35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h39-40,42,44-45,47H,3-38H2,1-2H3,(H,43,46) |
| InChIKey | BKLIPIPMLRTOMR-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-H]- |
| SMILES | CCCCCCCCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |