| SpectraBase Spectrum ID |
1NfiLQOZ0jI |
| Name |
Cer 14:2;3O/19:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
537.475709509 u |
| Formula |
C33H63NO4 |
| InChI |
InChI=1S/C33H63NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-32(37)34-30(29-35)33(38)31(36)27-25-23-21-12-10-8-6-4-2/h4,6,12,21,30-31,33,35-36,38H,3,5,7-11,13-20,22-29H2,1-2H3,(H,34,37)/b6-4+,21-12+ |
| InChIKey |
OBYDXPWRNRUALR-DIULEBGUNA-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 |
CCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCC\C=C\CC\C=C\C |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
