| SpectraBase Spectrum ID |
A6M9qf16Acf |
| Name |
Cer 18:2;3O/17:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
565.507009637 u |
| Formula |
C35H67NO4 |
| InChI |
InChI=1S/C35H67NO4/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34(39)36-32(31-37)35(40)33(38)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,21,23,32-33,35,37-38,40H,3-11,13,15-20,22,24-31H2,1-2H3,(H,36,39)/b14-12+,23-21+ |
| InChIKey |
DTOIMEBGXMFCJJ-QUXMXRBRNA-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+CH3COO]- |
| SMILES |
CCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCC\C=C\CC\C=C\CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
