SpectraBase Spectrum ID |
5vmrK1HUwCJ |
Name |
Cer 26:1;2O/17:1 |
Classification |
Sphingolipids [SP] |
Comments |
Ceramide non-hydroxyfatty acid-sphingosine |
Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
661.637295534 u |
Formula |
C43H83NO3 |
InChI |
InChI=1S/C43H83NO3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(46)41(40-45)44-43(47)39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h16,18,36,38,41-42,45-46H,3-15,17,19-35,37,39-40H2,1-2H3,(H,44,47)/b18-16-,38-36+ |
InChIKey |
KSISZILPZIOHOA-WGPVQELKNA-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 |
CCCCCCCCCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCC\C=C/CCCCCCC |
Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |