| SpectraBase Spectrum ID |
3y0TotdQki4 |
| Name |
Cer 25:2;2O/38:2;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
953.913911312 u |
| Formula |
C63H119NO4 |
| InChI |
InChI=1S/C63H119NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-58-62(67)63(68)64-60(59-65)61(66)57-55-53-51-49-47-45-43-41-39-24-22-20-18-16-14-12-10-8-6-4-2/h26-27,29-30,47,49,55,57,60-62,65-67H,3-25,28,31-46,48,50-54,56,58-59H2,1-2H3,(H,64,68)/b27-26-,30-29-,49-47+,57-55+ |
| InChIKey |
MTCZTNBZRJVQSE-RCOBUUQONA-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 |
CCCCCCCCCCCCCCCC\C=C\CC\C=C\C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
