| SpectraBase Spectrum ID |
2PYO1U0i0zx |
| Name |
Cer 12:1;3O/13:0;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.361073677 u |
| Formula |
C25H49NO5 |
| InChI |
InChI=1S/C25H49NO5/c1-3-5-7-9-11-12-13-15-17-19-23(29)25(31)26-21(20-27)24(30)22(28)18-16-14-10-8-6-4-2/h8,10,21-24,27-30H,3-7,9,11-20H2,1-2H3,(H,26,31)/b10-8+ |
| InChIKey |
OGTYCERJLKRDKI-CSKARUKUNA-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 |
CCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCC\C=C\CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
