| SpectraBase Spectrum ID |
DZXzlosw2eW |
| Name |
Cer 20:3;2O/20:5 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
607.496444954 u |
| Formula |
C40H65NO3 |
| InChI |
InChI=1S/C40H65NO3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-40(44)41-38(37-42)39(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,16-19,22,24-25,27-28,30,33,35,38-39,42-43H,3-4,6,8-10,12,14-15,20-21,23,26,29,31-32,34,36-37H2,1-2H3,(H,41,44)/b7-5-,13-11-,18-16+,19-17-,24-22-,27-25+,30-28-,35-33+ |
| InChIKey |
KAKLGHHVKOIXTC-XCWDQOQTNA-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 |
CCCCCCC\C=C\CC\C=C\CC\C=C\C(O)C(CO)NC(=O)CCC\C=C/C\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 |
