| SpectraBase Spectrum ID |
7g2MutP9Qak |
| Name |
HexCer 14:2;2O/3:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
459.283217276 u |
| Formula |
C23H41NO8 |
| InChI |
InChI=1S/C23H41NO8/c1-3-5-6-7-8-9-10-11-12-13-17(26)16(24-19(27)4-2)15-31-23-22(30)21(29)20(28)18(14-25)32-23/h8-9,12-13,16-18,20-23,25-26,28-30H,3-7,10-11,14-15H2,1-2H3,(H,24,27)/b9-8+,13-12+ |
| InChIKey |
CWATWCBHMRBAJK-AFAJWACHNA-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 |
CCCCC\C=C\CC\C=C\C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
