| SpectraBase Spectrum ID |
F68EMoSwQyi |
| Name |
HexCer 23:3;3O/16:2;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
793.570397738 u |
| Formula |
C45H79NO10 |
| InChI |
InChI=1S/C45H79NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-37(48)40(50)36(35-55-45-43(53)42(52)41(51)39(34-47)56-45)46-44(54)38(49)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h13,15,19-20,22,24-26,29,31,36-43,45,47-53H,3-12,14,16-18,21,23,27-28,30,32-35H2,1-2H3,(H,46,54)/b15-13+,20-19+,25-22-,26-24+,31-29- |
| InChIKey |
LHRDKDSDDMFSCQ-RBPVLREINA-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 |
CCCCCCCC\C=C/C\C=C/CC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCC\C=C\CC\C=C\CC\C=C\CCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
