SpectraBase Spectrum ID |
5GLPBZFzhsD |
Name |
Cer 12:2;2O/26:2 |
Classification |
Sphingolipids [SP] |
Comments |
Ceramide non-hydroxyfatty acid-sphingosine |
Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
587.527745083 u |
Formula |
C38H69NO3 |
InChI |
InChI=1S/C38H69NO3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-10-8-6-4-2/h8,10,13-14,16-17,31,33,36-37,40-41H,3-7,9,11-12,15,18-30,32,34-35H2,1-2H3,(H,39,42)/b10-8+,14-13-,17-16-,33-31+ |
InChIKey |
KNEFZLKSSFTXQA-MPXOTPMUNA-N |
Ion Polarity |
P |
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/C\C=C/CCCCCCCCCCCCCC(=O)NC(CO)C(O)\C=C\CC\C=C\CCC |
Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |