| SpectraBase Spectrum ID |
4INeHWlZmVI |
| Name |
Cer 13:2;2O/20:5 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
511.402544568 u |
| Formula |
C33H53NO3 |
| InChI |
InChI=1S/C33H53NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-33(37)34-31(30-35)32(36)28-26-24-22-12-10-8-6-4-2/h5,7,10-13,15-16,18-19,21,23,26,28,31-32,35-36H,3-4,6,8-9,14,17,20,22,24-25,27,29-30H2,1-2H3,(H,34,37)/b7-5-,12-10+,13-11-,16-15-,19-18-,23-21-,28-26+ |
| InChIKey |
VITIPBCCXOMIGT-WNCXRUBHNA-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 |
CCCC\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 |
