| SpectraBase Spectrum ID |
IF0kzIfLVPN |
| Name |
Cer 8:1;2O/21:2 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
463.402544568 u |
| Formula |
C29H53NO3 |
| InChI |
InChI=1S/C29H53NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-29(33)30-27(26-31)28(32)24-22-6-4-2/h10-11,13-14,22,24,27-28,31-32H,3-9,12,15-21,23,25-26H2,1-2H3,(H,30,33)/b11-10-,14-13-,24-22+ |
| InChIKey |
MNJFYLQZXRIGEV-URGAYQPANA-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 |
CCCCCC\C=C/C\C=C/CCCCCCCCCC(=O)NC(CO)C(O)\C=C\CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
