| SpectraBase Spectrum ID |
GKDTN97aZZe |
| Name |
Cer 14:1;2O/31:0;O(FA 16:2) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
941.877525802 u |
| Formula |
C61H115NO5 |
| InChI |
InChI=1S/C61H115NO5/c1-3-5-7-9-11-13-14-31-35-39-43-47-51-55-61(66)67-56-52-48-44-40-36-33-30-28-26-24-22-20-18-16-15-17-19-21-23-25-27-29-32-34-38-42-46-50-54-60(65)62-58(57-63)59(64)53-49-45-41-37-12-10-8-6-4-2/h7,9,13-14,49,53,58-59,63-64H,3-6,8,10-12,15-48,50-52,54-57H2,1-2H3,(H,62,65)/b9-7-,14-13-,53-49+ |
| InChIKey |
UYFCBAJBJGHNEL-OUTWODNKNA-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)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
