| SpectraBase Spectrum ID |
8fvQtHfiXDZ |
| Name |
HexCer 15:3;2O/16:2 |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
649.455367985 u |
| Formula |
C37H63NO8 |
| InChI |
InChI=1S/C37H63NO8/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-33(41)38-30(29-45-37-36(44)35(43)34(42)32(28-39)46-37)31(40)26-24-22-20-18-14-12-10-8-6-4-2/h6-9,13-15,18,24,26,30-32,34-37,39-40,42-44H,3-5,10-12,16-17,19-23,25,27-29H2,1-2H3,(H,38,41)/b8-6+,9-7-,15-13-,18-14+,26-24+ |
| InChIKey |
GWDWJFHEAACFFJ-SDFLERJZNA-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 |
CCC\C=C/C\C=C/CCCCCCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C\CC\C=C\CC\C=C\CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
