| SpectraBase Spectrum ID |
9RIFHC7DpCe |
| Name |
Cer 15:0;2O/13:0;(3OH)(FA 16:5) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified beta-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
699.580174578 u |
| Formula |
C44H77NO5 |
| InChI |
InChI=1S/C44H77NO5/c1-4-7-10-13-16-19-21-22-23-25-28-31-34-37-44(49)50-40(35-32-29-26-18-15-12-9-6-3)38-43(48)45-41(39-46)42(47)36-33-30-27-24-20-17-14-11-8-5-2/h7,10,13,16,19,21-23,25,28,40-42,46-47H,4-6,8-9,11-12,14-15,17-18,20,24,26-27,29-39H2,1-3H3,(H,45,48)/b10-7+,16-13+,21-19-,23-22-,28-25+ |
| InChIKey |
MZDOCDGYURMSOP-RSARNYCCNA-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 |
CCCCCCCCCCCCC(O)C(CO)NC(=O)CC(CCCCCCCCCC)OC(=O)CCC\C=C\C=C/C=C\C=C\C=C\CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
