| SpectraBase Spectrum ID |
J2FUNMA17ML |
| Name |
Cer 22:0;2O/16:0;O(FA 22:0) |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide Esterified omega-hydroxy fatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
933.908825931 u |
| Formula |
C60H119NO5 |
| InChI |
InChI=1S/C60H119NO5/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-30-34-38-42-46-50-54-60(65)66-55-51-47-43-39-35-31-27-29-33-37-41-45-49-53-59(64)61-57(56-62)58(63)52-48-44-40-36-32-28-25-23-20-18-16-14-12-10-8-6-4-2/h57-58,62-63H,3-56H2,1-2H3,(H,61,64) |
| InChIKey |
XIVGXAJHZIPICL-UHFFFAOYNA-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 |
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
