| SpectraBase Spectrum ID |
HdCZc65RRAW |
| Name |
Cer 16:0;3O/18:1;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
569.501924256 u |
| Formula |
C34H67NO5 |
| InChI |
InChI=1S/C34H67NO5/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-32(38)34(40)35-30(29-36)33(39)31(37)27-25-23-21-19-14-12-10-8-6-4-2/h13,15,30-33,36-39H,3-12,14,16-29H2,1-2H3,(H,35,40)/b15-13- |
| InChIKey |
KADDHDREEQNODB-SQFISAMPNA-N |
| Ion Polarity |
P |
| 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 |
CCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)C(O)CCCCCCCC\C=C/CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
