| SpectraBase Spectrum ID |
8PAUFTLQEfA |
| Name |
Cer 16:3;2O/20:0;(3OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide beta-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
577.507009637 u |
| Formula |
C36H67NO4 |
| InChI |
InChI=1S/C36H67NO4/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-33(39)31-36(41)37-34(32-38)35(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h8,10,19,22,28,30,33-35,38-40H,3-7,9,11-18,20-21,23-27,29,31-32H2,1-2H3,(H,37,41)/b10-8+,22-19+,30-28+ |
| InChIKey |
HEALWBKAUCHQPG-PZVIAVICNA-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 |
CCCCCCCCCCCCCCCCCC(O)CC(=O)NC(CO)C(O)\C=C\CC\C=C\CC\C=C\CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
