| SpectraBase Spectrum ID |
4D4WeAUT0xi |
| Name |
Cer 20:0;2O/16:1;O(FA 15:0) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
805.752325287 u |
| Formula |
C51H99NO5 |
| InChI |
InChI=1S/C51H99NO5/c1-3-5-7-9-11-13-15-17-18-20-23-27-31-35-39-43-49(54)48(47-53)52-50(55)44-40-36-32-28-24-21-19-22-26-30-34-38-42-46-57-51(56)45-41-37-33-29-25-16-14-12-10-8-6-4-2/h21,24,48-49,53-54H,3-20,22-23,25-47H2,1-2H3,(H,52,55)/b24-21- |
| InChIKey |
KIHUNUUFZZCCSH-FLFQWRMENA-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 |
CCCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCC\C=C/CCCCCCCCOC(=O)CCCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
