| SpectraBase Spectrum ID |
43RXCN8YD5y |
| Name |
Cer 22:3;2O/6:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
449.386894503 u |
| Formula |
C28H51NO3 |
| InChI |
InChI=1S/C28H51NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23-27(31)26(25-30)29-28(32)24-21-6-4-2/h13-14,17-18,22-23,26-27,30-31H,3-12,15-16,19-21,24-25H2,1-2H3,(H,29,32)/b14-13+,18-17+,23-22+ |
| InChIKey |
SOEGLTCEIBLDLM-ZKEKRXJRNA-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 |
CCCCCCCCC\C=C\CC\C=C\CC\C=C\C(O)C(CO)NC(=O)CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
