| SpectraBase Spectrum ID |
FR2nlvB4jkd |
| Name |
Cer 17:2;3O/16:2;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
549.439323999 u |
| Formula |
C33H59NO5 |
| InChI |
InChI=1S/C33H59NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(37)33(39)34-29(28-35)32(38)30(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,17-20,23,25,29-32,35-38H,3-9,11,13-16,21-22,24,26-28H2,1-2H3,(H,34,39)/b12-10+,19-17-,20-18+,25-23- |
| InChIKey |
VBMQGEMGANULEJ-YYULSIHENA-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/C\C=C/CC(O)C(=O)NC(CO)C(O)C(O)CCC\C=C\CC\C=C\CCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
