| SpectraBase Compound ID | IZntRnXO9td |
|---|---|
| InChI | InChI=1S/C28H55NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-28(32)29-26(25-30)27(31)23-21-6-4-2/h12-13,26-27,30-31H,3-11,14-25H2,1-2H3,(H,29,32)/b13-12- |
| InChIKey | BUJWQCFIWFPKRH-SEYXRHQNNA-N |
| Mol Weight | 453.8 g/mol |
| Molecular Formula | C28H55NO3 |
| Exact Mass | 453.418195 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 6MltWQUsjRG |
|---|---|
| Name | Cer 8:0;2O/20:1 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide non-hydroxyfatty acid-dihydrosphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 453.418194632 u |
| Formula | C28H55NO3 |
| InChI | InChI=1S/C28H55NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-28(32)29-26(25-30)27(31)23-21-6-4-2/h12-13,26-27,30-31H,3-11,14-25H2,1-2H3,(H,29,32)/b13-12- |
| InChIKey | BUJWQCFIWFPKRH-SEYXRHQNNA-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 | CCCCCCCC\C=C/CCCCCCCCCC(=O)NC(CO)C(O)CCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |