| SpectraBase Compound ID | 5IAWivauXbs |
|---|---|
| InChI | InChI=1S/C57H97NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-33-35-37-39-41-43-45-47-49-51-53-57(61)58-55(54-59)56(60)52-50-48-46-44-42-40-38-36-34-32-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,28-29,31,33,37,39,43,45,50,52,55-56,59-60H,3-4,6,8-10,12,14-16,18,20-22,24,26-27,30,32,34-36,38,40-42,44,46-49,51,53-54H2,1-2H3,(H,58,61)/b7-5-,13-11-,19-17-,25-23-,29-28-,33-31-,39-37-,45-43-,52-50+ |
| InChIKey | FVQNNODGBOXVKC-VJIZIXIJNA-N |
| Mol Weight | 844.4 g/mol |
| Molecular Formula | C57H97NO3 |
| Exact Mass | 843.746846 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 | Cvfwbs5qKVH |
|---|---|
| Name | Cer 27:1;2O/30:8 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide non-hydroxyfatty acid-sphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 843.746845984 u |
| Formula | C57H97NO3 |
| InChI | InChI=1S/C57H97NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-33-35-37-39-41-43-45-47-49-51-53-57(61)58-55(54-59)56(60)52-50-48-46-44-42-40-38-36-34-32-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,28-29,31,33,37,39,43,45,50,52,55-56,59-60H,3-4,6,8-10,12,14-16,18,20-22,24,26-27,30,32,34-36,38,40-42,44,46-49,51,53-54H2,1-2H3,(H,58,61)/b7-5-,13-11-,19-17-,25-23-,29-28-,33-31-,39-37-,45-43-,52-50+ |
| InChIKey | FVQNNODGBOXVKC-VJIZIXIJNA-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 | CCCCCCCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |