| SpectraBase Spectrum ID |
3zmceVw51Qq |
| Name |
Cer 8:1;2O/20:4 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.355594374 u |
| Formula |
C28H47NO3 |
| InChI |
InChI=1S/C28H47NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-28(32)29-26(25-30)27(31)23-21-6-4-2/h5,7,9-10,12-13,15-16,21,23,26-27,30-31H,3-4,6,8,11,14,17-20,22,24-25H2,1-2H3,(H,29,32)/b7-5-,10-9-,13-12-,16-15-,23-21+ |
| InChIKey |
ZAHGPZWUPQNKGK-PUSPUNAENA-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 |
CCC\C=C\C(O)C(CO)NC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
