| SpectraBase Spectrum ID |
IOOJUK67ug3 |
| Name |
Cer 24:3;2O/21:1;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
701.632210153 u |
| Formula |
C45H83NO4 |
| InChI |
InChI=1S/C45H83NO4/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-43(48)42(41-47)46-45(50)44(49)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h22,24,26,28-29,31,37,39,42-44,47-49H,3-21,23,25,27,30,32-36,38,40-41H2,1-2H3,(H,46,50)/b24-22+,28-26-,31-29+,39-37+ |
| InChIKey |
GTGSMDWZHJKVPA-HYGDORLTNA-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+CH3COO]- |
| SMILES |
CCCCCCCCCCC\C=C/CCCCCCC(O)C(=O)NC(CO)C(O)\C=C\CC\C=C\CC\C=C\CCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
