| SpectraBase Spectrum ID |
3ziMpPTI1hh |
| Name |
Cer 13:1;3O/16:0;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
499.423673934 u |
| Formula |
C29H57NO5 |
| InChI |
InChI=1S/C29H57NO5/c1-3-5-7-9-11-12-13-14-15-17-19-21-23-27(33)29(35)30-25(24-31)28(34)26(32)22-20-18-16-10-8-6-4-2/h10,16,25-28,31-34H,3-9,11-15,17-24H2,1-2H3,(H,30,35)/b16-10+ |
| InChIKey |
WKJZLAIEDANMAF-MHWRWJLKNA-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 |
CCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCC\C=C\CCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
