| SpectraBase Spectrum ID |
KkoSdZEneD8 |
| Name |
Cer 17:0;2O/20:2;(3OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide beta-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
593.538309766 u |
| Formula |
C37H71NO4 |
| InChI |
InChI=1S/C37H71NO4/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-34(40)32-37(42)38-35(33-39)36(41)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,34-36,39-41H,3-10,12,14-16,19-33H2,1-2H3,(H,38,42)/b13-11-,18-17- |
| InChIKey |
UUMUIRURMBSOEN-BCTRXSSUNA-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 |
CCCCCCCCCCCCCCC(O)C(CO)NC(=O)CC(O)CCCCCCC\C=C/C\C=C/CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
