SpectraBase Spectrum ID |
D9Hu7DuvLjc |
Name |
Cer 20:2;3O/14:1 |
Classification |
Sphingolipids [SP] |
Comments |
Ceramide non-hydroxyfatty acid-phytospingosine |
Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
549.475709509 u |
Formula |
C34H63NO4 |
InChI |
InChI=1S/C34H63NO4/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-28-32(37)34(39)31(30-36)35-33(38)29-27-25-23-21-18-14-12-10-8-6-4-2/h10,12,15-16,20,22,31-32,34,36-37,39H,3-9,11,13-14,17-19,21,23-30H2,1-2H3,(H,35,38)/b12-10-,16-15+,22-20+ |
InChIKey |
GEXLCWWJRKXCFL-AWWBKCDFNA-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\CCCC(O)C(O)C(CO)NC(=O)CCCCCCC\C=C/CCCC |
Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |