| SpectraBase Spectrum ID |
4woJ3i8J7au |
| Name |
Cer 20:0;3O/12:1;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
541.470624128 u |
| Formula |
C32H63NO5 |
| InChI |
InChI=1S/C32H63NO5/c1-3-5-7-9-11-13-14-15-16-17-18-20-21-23-25-29(35)31(37)28(27-34)33-32(38)30(36)26-24-22-19-12-10-8-6-4-2/h19,22,28-31,34-37H,3-18,20-21,23-27H2,1-2H3,(H,33,38)/b22-19- |
| InChIKey |
ATDPJANFIIAPTM-QOCHGBHMNA-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+HCOO]- |
| SMILES |
CCCCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)C(O)CC\C=C/CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
