| SpectraBase Compound ID | HQYv6S6PJ31 |
|---|---|
| InChI | InChI=1S/C20H39NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19(23)18(17-22)21-20(24)4-2/h15-16,18-19,22-23H,3-14,17H2,1-2H3,(H,21,24)/b16-15+ |
| InChIKey | NIYSOSWFUCZXMS-FOCLMDBBNA-N |
| Mol Weight | 341.5 g/mol |
| Molecular Formula | C20H39NO3 |
| Exact Mass | 341.292994 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 | LXykxh2XTDe |
|---|---|
| Name | Cer 17:1;2O/3:0 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide non-hydroxyfatty acid-sphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.292994117 u |
| Formula | C20H39NO3 |
| InChI | InChI=1S/C20H39NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19(23)18(17-22)21-20(24)4-2/h15-16,18-19,22-23H,3-14,17H2,1-2H3,(H,21,24)/b16-15+ |
| InChIKey | NIYSOSWFUCZXMS-FOCLMDBBNA-N |
| Ion Polarity | P |
| 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 | CCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |