| SpectraBase Spectrum ID |
AEbwseZkcXg |
| Name |
HexCer 20:2;2O/3:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
543.377117663 u |
| Formula |
C29H53NO8 |
| InChI |
InChI=1S/C29H53NO8/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(32)22(30-25(33)4-2)21-37-29-28(36)27(35)26(34)24(20-31)38-29/h14-15,18-19,22-24,26-29,31-32,34-36H,3-13,16-17,20-21H2,1-2H3,(H,30,33)/b15-14+,19-18+ |
| InChIKey |
PUAPVQIFRHOQDE-HOTZHUKSNA-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 |
CCCCCCCCCCC\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 |
