| SpectraBase Spectrum ID |
8iaIY4k9Gdf |
| Name |
Cer 16:0;2O/35:1;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 |
1070.034026446 u |
| Formula |
C70H135NO5 |
| InChI |
InChI=1S/C70H135NO5/c1-3-5-7-9-11-13-15-16-17-37-40-44-48-52-56-60-64-70(75)76-65-61-57-53-49-45-41-38-35-33-31-29-27-25-23-21-19-18-20-22-24-26-28-30-32-34-36-39-43-47-51-55-59-63-69(74)71-67(66-72)68(73)62-58-54-50-46-42-14-12-10-8-6-4-2/h17,21,23,37,67-68,72-73H,3-16,18-20,22,24-36,38-66H2,1-2H3,(H,71,74)/b23-21-,37-17- |
| InChIKey |
OCAKWSGRGPDZCI-RJYRWODBNA-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+CH3COO]- |
| SMILES |
CCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCC\C=C/CCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
