| SpectraBase Spectrum ID |
7cPPVpj3uwZ |
| Name |
Cer 16:1;2O/12:1;(3OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide beta-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.397459187 u |
| Formula |
C28H53NO4 |
| InChI |
InChI=1S/C28H53NO4/c1-3-5-7-9-11-12-13-14-16-18-20-22-27(32)26(24-30)29-28(33)23-25(31)21-19-17-15-10-8-6-4-2/h17,19-20,22,25-27,30-32H,3-16,18,21,23-24H2,1-2H3,(H,29,33)/b19-17-,22-20+ |
| InChIKey |
SJIODLWXAURFMA-PNFLQUQDNA-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-H]- |
| SMILES |
CCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CC(O)C\C=C/CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
