| SpectraBase Spectrum ID |
58g6nVYxFXZ |
| Name |
Cer 22:2;2O/33:1;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
843.804360861 u |
| Formula |
C55H105NO4 |
| InChI |
InChI=1S/C55H105NO4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-54(59)55(60)56-52(51-57)53(58)49-47-45-43-41-39-37-35-33-20-18-16-14-12-10-8-6-4-2/h25-26,39,41,47,49,52-54,57-59H,3-24,27-38,40,42-46,48,50-51H2,1-2H3,(H,56,60)/b26-25-,41-39+,49-47+ |
| InChIKey |
ZVTYWNBJWZVETQ-HQFAMIITNA-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+HCOO]- |
| SMILES |
CCCCCCCCCCCCCC\C=C/CCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)\C=C\CC\C=C\CCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
