| SpectraBase Spectrum ID |
2ZJU8x9O5nT |
| Name |
Cer 14:1;2O/56:5;2O |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1063.987076253 u |
| Formula |
C70H129NO5 |
| InChI |
InChI=1S/C70H129NO5/c1-3-5-7-9-11-13-14-40-44-48-52-56-60-64-70(75)76-65-61-57-53-49-45-42-39-37-35-33-31-29-27-25-23-21-19-17-15-16-18-20-22-24-26-28-30-32-34-36-38-41-43-47-51-55-59-63-69(74)71-67(66-72)68(73)62-58-54-50-46-12-10-8-6-4-2/h7,9,13-15,17,21,23,58,62,67-68,72-73H,3-6,8,10-12,16,18-20,22,24-57,59-61,63-66H2,1-2H3,(H,71,74)/b9-7-,14-13-,17-15-,23-21-,62-58+ |
| InChIKey |
DPGZFBKYFAHDSV-FQZRRFSQNA-N |
| Ion Polarity |
P |
| 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 |
CCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
