| SpectraBase Spectrum ID |
84jjUFJ2sZj |
| Name |
Cer 14:1;2O/34:0;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 |
983.924475995 u |
| Formula |
C64H121NO5 |
| InChI |
InChI=1S/C64H121NO5/c1-3-5-7-9-11-13-14-34-38-42-46-50-54-58-64(69)70-59-55-51-47-43-39-36-33-31-29-27-25-23-21-19-17-15-16-18-20-22-24-26-28-30-32-35-37-41-45-49-53-57-63(68)65-61(60-66)62(67)56-52-48-44-40-12-10-8-6-4-2/h7,9,13-14,52,56,61-62,66-67H,3-6,8,10-12,15-51,53-55,57-60H2,1-2H3,(H,65,68)/b9-7-,14-13-,56-52+ |
| InChIKey |
FKQIZOAYRHTYGE-JKAHAJMUNA-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+CH3COO]- |
| SMILES |
CCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
