| SpectraBase Spectrum ID |
6ph4caWQWm2 |
| Name |
Cer 17:1;2O/24:2;O(FA 19:1) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
925.846225673 u |
| Formula |
C60H111NO5 |
| InChI |
InChI=1S/C60H111NO5/c1-3-5-7-9-11-13-15-17-18-27-30-34-38-42-46-50-54-60(65)66-55-51-47-43-39-35-31-28-25-23-21-19-20-22-24-26-29-33-37-41-45-49-53-59(64)61-57(56-62)58(63)52-48-44-40-36-32-16-14-12-10-8-6-4-2/h18,27,31,35,43,47-48,52,57-58,62-63H,3-17,19-26,28-30,32-34,36-42,44-46,49-51,53-56H2,1-2H3,(H,61,64)/b27-18-,35-31-,47-43-,52-48+ |
| InChIKey |
QIYNEUNDWQOQQI-BDKNMHETNA-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 |
CCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCC\C=C/C\C=C/CCOC(=O)CCCCCCC\C=C/CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
