| SpectraBase Compound ID | EVPDZfww5GX |
|---|---|
| InChI | InChI=1S/C70H141NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-58-60-62-64-68(74)70(76)71-66(65-72)69(75)67(73)63-61-59-57-55-53-51-49-47-45-43-26-24-22-20-18-16-14-12-10-8-6-4-2/h66-69,72-75H,3-65H2,1-2H3,(H,71,76) |
| InChIKey | SIZVDCPEHMSRAI-UHFFFAOYNA-N |
| Mol Weight | 1076.9 g/mol |
| Molecular Formula | C70H141NO5 |
| Exact Mass | 1076.080977 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 8iLyKwjmPwv |
|---|---|
| Name | Cer 28:0;3O/42:0;(2OH) |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1076.080976639 u |
| Formula | C70H141NO5 |
| InChI | InChI=1S/C70H141NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-58-60-62-64-68(74)70(76)71-66(65-72)69(75)67(73)63-61-59-57-55-53-51-49-47-45-43-26-24-22-20-18-16-14-12-10-8-6-4-2/h66-69,72-75H,3-65H2,1-2H3,(H,71,76) |
| InChIKey | SIZVDCPEHMSRAI-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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCCCCCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |