| SpectraBase Compound ID | L1BeXpCcBpB |
|---|---|
| InChI | InChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h34-35,38-39H,3-33H2,1-2H3,(H,37,40) |
| InChIKey | LCYDQXUBXVTKNJ-UHFFFAOYNA-N |
| Mol Weight | 568.0 g/mol |
| Molecular Formula | C36H73NO3 |
| Exact Mass | 567.559045 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 | AtGTVMj8UrX |
|---|---|
| Name | Cer 17:0;2O/19:0 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide non-hydroxyfatty acid-dihydrosphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 567.559045212 u |
| Formula | C36H73NO3 |
| InChI | InChI=1S/C36H73NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-36(40)37-34(33-38)35(39)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h34-35,38-39H,3-33H2,1-2H3,(H,37,40) |
| InChIKey | LCYDQXUBXVTKNJ-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+HCOO]- |
| SMILES | CCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |