| SpectraBase Spectrum ID |
BCs20FFn0T |
| Name |
Cer 30:0;3O/22:2 |
| Classification |
Sphingolipids [SP] |
| Comments |
Ceramide non-hydroxyfatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
803.773060732 u |
| Formula |
C52H101NO4 |
| InChI |
InChI=1S/C52H101NO4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-29-30-32-34-36-38-40-42-44-46-50(55)52(57)49(48-54)53-51(56)47-45-43-41-39-37-35-33-31-28-22-20-18-16-14-12-10-8-6-4-2/h12,14,16,18,49-50,52,54-55,57H,3-11,13,15,17,19-48H2,1-2H3,(H,53,56)/b14-12-,18-16- |
| InChIKey |
HGLKSMFUAWAGSZ-LLNQCXAONA-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-H]- |
| SMILES |
CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)CCCCCCCCCCCC\C=C/C=C\CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
