| SpectraBase Compound ID | IIiIB56mlVk |
|---|---|
| InChI | InChI=1S/C29H59NO4/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-28(33)27(25-31)30-29(34)24-26(32)22-20-18-16-10-8-6-4-2/h26-28,31-33H,3-25H2,1-2H3,(H,30,34) |
| InChIKey | ONDZFCNXGVUCLE-UHFFFAOYNA-N |
| Mol Weight | 485.8 g/mol |
| Molecular Formula | C29H59NO4 |
| Exact Mass | 485.444409 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | DGMj6oksBo7 |
|---|---|
| Name | Cer 17:0;2O/12:0;(3OH) |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide beta-hydroxy fatty acid-dihydrosphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 485.444409380 u |
| Formula | C29H59NO4 |
| InChI | InChI=1S/C29H59NO4/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-28(33)27(25-31)30-29(34)24-26(32)22-20-18-16-10-8-6-4-2/h26-28,31-33H,3-25H2,1-2H3,(H,30,34) |
| InChIKey | ONDZFCNXGVUCLE-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 | CCCCCCCCCCCCCCC(O)C(CO)NC(=O)CC(O)CCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |