| SpectraBase Spectrum ID |
56ZEsKLEMQ5 |
| Name |
HexCer 11:1;2O/7:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
475.314517405 u |
| Formula |
C24H45NO8 |
| InChI |
InChI=1S/C24H45NO8/c1-3-5-7-9-10-11-13-18(27)17(25-20(28)14-12-8-6-4-2)16-32-24-23(31)22(30)21(29)19(15-26)33-24/h11,13,17-19,21-24,26-27,29-31H,3-10,12,14-16H2,1-2H3,(H,25,28)/b13-11+ |
| InChIKey |
DFGPMLHMZHZPFC-ACCUITESNA-N |
| Ion Polarity |
P |
| 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 |
CCCCCC\C=C\C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
