| SpectraBase Spectrum ID |
FBgX1l2aTAB |
| Name |
Cer 29:0;2O/22:0;O(FA 21:0) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1102.096626704 u |
| Formula |
C72H143NO5 |
| InChI |
InChI=1S/C72H143NO5/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-29-32-36-40-44-48-52-56-60-64-70(75)69(68-74)73-71(76)65-61-57-53-49-45-41-37-33-30-28-31-35-39-43-47-51-55-59-63-67-78-72(77)66-62-58-54-50-46-42-38-34-22-20-18-16-14-12-10-8-6-4-2/h69-70,74-75H,3-68H2,1-2H3,(H,73,76) |
| InChIKey |
DFMWUBVFQPBAGY-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 |
CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
