| SpectraBase Spectrum ID |
1GoycsvdgI7 |
| Name |
Cer 24:3;3O/42:2;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1009.940126060 u |
| Formula |
C66H123NO5 |
| InChI |
InChI=1S/C66H123NO5/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-58-60-64(70)66(72)67-62(61-68)65(71)63(69)59-57-55-53-51-49-47-45-43-22-20-18-16-14-12-10-8-6-4-2/h16,18,29-30,32-33,43,45,51,53,62-65,68-71H,3-15,17,19-28,31,34-42,44,46-50,52,54-61H2,1-2H3,(H,67,72)/b18-16+,30-29-,33-32-,45-43+,53-51+ |
| InChIKey |
ZNEBMCDHXDMPPG-HFCRHMRPNA-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 |
CCCCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCC\C=C\CC\C=C\CC\C=C\CCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
