| SpectraBase Spectrum ID |
3zQB674tvgQ |
| Name |
HexCer 12:1;2O/7:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
489.330167469 u |
| Formula |
C25H47NO8 |
| InChI |
InChI=1S/C25H47NO8/c1-3-5-7-9-10-11-12-14-19(28)18(26-21(29)15-13-8-6-4-2)17-33-25-24(32)23(31)22(30)20(16-27)34-25/h12,14,18-20,22-25,27-28,30-32H,3-11,13,15-17H2,1-2H3,(H,26,29)/b14-12+ |
| InChIKey |
BPCBQGBBMZOEQF-WYMLVPIENA-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 |
CCCCCCC\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 |
