| SpectraBase Spectrum ID |
AzBts1xEI3z |
| Name |
Cer 37:3;3O/28:2;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
995.924475995 u |
| Formula |
C65H121NO5 |
| InChI |
InChI=1S/C65H121NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-31-32-33-34-35-37-38-40-42-44-46-48-50-52-54-56-58-62(68)64(70)61(60-67)66-65(71)63(69)59-57-55-53-51-49-47-45-43-41-39-36-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h24,26,35-37,39,42,44,50,52,61-64,67-70H,3-23,25,27-34,38,40-41,43,45-49,51,53-60H2,1-2H3,(H,66,71)/b26-24-,37-35+,39-36-,44-42+,52-50+ |
| InChIKey |
UOYXWKJVDSTNCR-HFVQKKEDNA-N |
| Ion Polarity |
P |
| 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 |
CCCCCCCCCCCCCCCCCCCC\C=C\CC\C=C\CC\C=C\CCCC(O)C(O)C(CO)NC(=O)C(O)CCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
