| SpectraBase Spectrum ID |
2jXzvcSkzXi |
| Name |
Cer 19:0;2O/34:1;O(FA 19:1) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1098.065326575 u |
| Formula |
C72H139NO5 |
| InChI |
InChI=1S/C72H139NO5/c1-3-5-7-9-11-13-15-17-19-38-42-46-50-54-58-62-66-72(77)78-67-63-59-55-51-47-43-39-36-34-32-30-28-26-24-22-20-21-23-25-27-29-31-33-35-37-41-45-49-53-57-61-65-71(76)73-69(68-74)70(75)64-60-56-52-48-44-40-18-16-14-12-10-8-6-4-2/h19,22,24,38,69-70,74-75H,3-18,20-21,23,25-37,39-68H2,1-2H3,(H,73,76)/b24-22-,38-19- |
| InChIKey |
UPWZSDVESKFQJK-KYHMCXJENA-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 |
CCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCC\C=C/CCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
