| SpectraBase Spectrum ID |
DVTdtqcESLG |
| Name |
Cer 19:1;2O/40:2;O(FA 21:1) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1206.159226961 u |
| Formula |
C80H151NO5 |
| InChI |
InChI=1S/C80H151NO5/c1-3-5-7-9-11-13-15-17-19-20-43-46-50-54-58-62-66-70-74-80(85)86-75-71-67-63-59-55-51-47-44-41-39-37-35-33-31-29-27-25-23-21-22-24-26-28-30-32-34-36-38-40-42-45-49-53-57-61-65-69-73-79(84)81-77(76-82)78(83)72-68-64-60-56-52-48-18-16-14-12-10-8-6-4-2/h19-21,23,27,29,68,72,77-78,82-83H,3-18,22,24-26,28,30-67,69-71,73-76H2,1-2H3,(H,81,84)/b20-19-,23-21-,29-27-,72-68+ |
| InChIKey |
CATGBFFXMGJOTD-OPOQIFAYNA-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 |
CCCCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCCCCCCCCCCOC(=O)CCCCCCCCC\C=C/CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
