| SpectraBase Spectrum ID |
35TDlK8mSYh |
| Name |
HexCer 15:3;2O/59:5;2O |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1278.071199799 u |
| Formula |
C80H143NO10 |
| InChI |
InChI=1S/C80H143NO10/c1-3-5-7-9-11-13-15-16-45-48-52-56-60-64-68-76(85)89-69-65-61-57-53-49-46-43-41-39-37-35-33-31-29-27-25-23-21-19-17-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-51-55-59-63-67-75(84)81-72(71-90-80-79(88)78(87)77(86)74(70-82)91-80)73(83)66-62-58-54-50-14-12-10-8-6-4-2/h6,8-9,11,14-18,21,23,50,62,66,72-74,77-80,82-83,86-88H,3-5,7,10,12-13,19-20,22,24-49,51-61,63-65,67-71H2,1-2H3,(H,81,84)/b8-6+,11-9-,16-15-,18-17-,23-21-,50-14+,66-62+ |
| InChIKey |
WYELVVANSAXHAD-VNILEFSONA-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 |
CCCC\C=C/C\C=C/CCCCCCCC(=O)OCCCCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C\CC\C=C\CC\C=C\CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
