| SpectraBase Spectrum ID |
HppOXAefhby |
| Name |
Cer 14:1;2O/32:2;O(FA 21:1) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1023.955776124 u |
| Formula |
C67H125NO5 |
| InChI |
InChI=1S/C67H125NO5/c1-3-5-7-9-11-13-14-15-16-17-32-35-38-41-45-49-53-57-61-67(72)73-62-58-54-50-46-42-39-36-33-30-28-26-24-22-20-18-19-21-23-25-27-29-31-34-37-40-44-48-52-56-60-66(71)68-64(63-69)65(70)59-55-51-47-43-12-10-8-6-4-2/h16-18,20,24,26,55,59,64-65,69-70H,3-15,19,21-23,25,27-54,56-58,60-63H2,1-2H3,(H,68,71)/b17-16-,20-18-,26-24-,59-55+ |
| InChIKey |
LFULUVOLHDVXKH-WNHRFSQLNA-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/CCCCCCCCCC(=O)OCCCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCCCCCCC(=O)NC(CO)C(O)\C=C\CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
