| SpectraBase Spectrum ID |
GHGmj2lp3xi |
| Name |
Cer 17:1;3O/16:2 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
535.460059444 u |
| Formula |
C33H61NO4 |
| InChI |
InChI=1S/C33H61NO4/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-32(37)34-30(29-35)33(38)31(36)27-25-23-21-19-17-14-12-10-8-6-4-2/h16,18-19,21-22,24,30-31,33,35-36,38H,3-15,17,20,23,25-29H2,1-2H3,(H,34,37)/b18-16-,21-19+,24-22- |
| InChIKey |
FFXFTAIUFNDKDM-PLPLBQQGNA-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 |
CCCCCCCC\C=C\CCCC(O)C(O)C(CO)NC(=O)CC\C=C/C\C=C/CCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
