| SpectraBase Spectrum ID |
3SJnXqQk8eJ |
| Name |
HexCer 15:2;2O/18:5 |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
673.455367985 u |
| Formula |
C39H63NO8 |
| InChI |
InChI=1S/C39H63NO8/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-35(43)40-32(31-47-39-38(46)37(45)36(44)34(30-41)48-39)33(42)28-26-24-22-20-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19-21,25-28,32-34,36-39,41-42,44-46H,3-4,6,8-10,12,15,18,22-24,29-31H2,1-2H3,(H,40,43)/b7-5-,13-11-,17-16-,20-14+,21-19-,27-25-,28-26+ |
| InChIKey |
SICMSXMUQOMGBJ-PMEQURMANA-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 |
CCCCCC\C=C\CC\C=C\C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
