| SpectraBase Spectrum ID |
B7ZrdD0Tlfv |
| Name |
Cer 14:1;2O/25:0;O(FA 20:0) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
917.877525802 u |
| Formula |
C59H115NO5 |
| InChI |
InChI=1S/C59H115NO5/c1-3-5-7-9-11-13-14-15-16-23-27-30-33-37-41-45-49-53-59(64)65-54-50-46-42-38-34-31-28-25-22-20-18-17-19-21-24-26-29-32-36-40-44-48-52-58(63)60-56(55-61)57(62)51-47-43-39-35-12-10-8-6-4-2/h47,51,56-57,61-62H,3-46,48-50,52-55H2,1-2H3,(H,60,63)/b51-47+ |
| InChIKey |
SNYZOOMSDJBWRZ-SBTUKGQANA-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 |
CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)\C=C\CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
