| SpectraBase Compound ID | HOtjtSO2NJN |
|---|---|
| InChI | InChI=1S/C38H75NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-37(41)36(35-40)39-38(42)34-6-4-2/h32-33,36-37,40-41H,3-31,34-35H2,1-2H3,(H,39,42)/b33-32+ |
| InChIKey | PWMARTAVMZQTRU-ULIFNZDWNA-N |
| Mol Weight | 594.0 g/mol |
| Molecular Formula | C38H75NO3 |
| Exact Mass | 593.574695 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | EPHpABhzUhE |
|---|---|
| Name | Cer 33:1;2O/5:0 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide non-hydroxyfatty acid-sphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 593.574695276 u |
| Formula | C38H75NO3 |
| InChI | InChI=1S/C38H75NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-37(41)36(35-40)39-38(42)34-6-4-2/h32-33,36-37,40-41H,3-31,34-35H2,1-2H3,(H,39,42)/b33-32+ |
| InChIKey | PWMARTAVMZQTRU-ULIFNZDWNA-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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |