| SpectraBase Compound ID | 3kk2GzL68Yc |
|---|---|
| InChI | InChI=1S/C71H143NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-37-38-40-42-44-46-48-50-52-54-56-58-60-62-64-66-70(74)69(68-73)72-71(75)67-65-63-61-59-57-55-53-51-49-47-45-43-41-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h69-70,73-74H,3-68H2,1-2H3,(H,72,75) |
| InChIKey | IOZTVOOTMXGLHC-UHFFFAOYNA-N |
| Mol Weight | 1058.9 g/mol |
| Molecular Formula | C71H143NO3 |
| Exact Mass | 1058.106797 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 1ILQaTEi5vb |
|---|---|
| Name | Cer 38:0;2O/33:0 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide non-hydroxyfatty acid-dihydrosphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1058.106797466 u |
| Formula | C71H143NO3 |
| InChI | InChI=1S/C71H143NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36-37-38-40-42-44-46-48-50-52-54-56-58-60-62-64-66-70(74)69(68-73)72-71(75)67-65-63-61-59-57-55-53-51-49-47-45-43-41-39-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h69-70,73-74H,3-68H2,1-2H3,(H,72,75) |
| InChIKey | IOZTVOOTMXGLHC-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-H]- |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |