| SpectraBase Spectrum ID |
5CN6I0jiaCo |
| Name |
Cer 14:1;2O/36:2;O(FA 21:2) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1078.002726317 u |
| Formula |
C71H131NO5 |
| InChI |
InChI=1S/C71H131NO5/c1-3-5-7-9-11-13-14-15-16-17-36-39-42-45-49-53-57-61-65-71(76)77-66-62-58-54-50-46-43-40-37-34-32-30-28-26-24-22-20-18-19-21-23-25-27-29-31-33-35-38-41-44-48-52-56-60-64-70(75)72-68(67-73)69(74)63-59-55-51-47-12-10-8-6-4-2/h13-14,16-17,22,24,28,30,59,63,68-69,73-74H,3-12,15,18-21,23,25-27,29,31-58,60-62,64-67H2,1-2H3,(H,72,75)/b14-13-,17-16-,24-22-,30-28-,63-59+ |
| InChIKey |
UNNRISMXINTGOL-QVDIOSFONA-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 |
CCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCCOC(=O)CCCCCCCCC\C=C/C\C=C/CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
