| SpectraBase Spectrum ID |
Ht332ed5ySg |
| Name |
Cer 22:3;2O/29:0;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
787.741760603 u |
| Formula |
C51H97NO4 |
| InChI |
InChI=1S/C51H97NO4/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-44-46-50(55)51(56)52-48(47-53)49(54)45-43-41-39-37-35-33-31-29-20-18-16-14-12-10-8-6-4-2/h20,29,35,37,43,45,48-50,53-55H,3-19,21-28,30-34,36,38-42,44,46-47H2,1-2H3,(H,52,56)/b29-20+,37-35+,45-43+ |
| InChIKey |
YGSLRUYXYWWJRS-LJPXCLAANA-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 |
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)\C=C\CC\C=C\CC\C=C\CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
