| SpectraBase Spectrum ID |
AlKAkwNWch2 |
| Name |
HexCer 14:3;2O/4:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
471.283217276 u |
| Formula |
C24H41NO8 |
| InChI |
InChI=1S/C24H41NO8/c1-3-5-6-7-8-9-10-11-12-14-18(27)17(25-20(28)13-4-2)16-32-24-23(31)22(30)21(29)19(15-26)33-24/h3,5,8-9,12,14,17-19,21-24,26-27,29-31H,4,6-7,10-11,13,15-16H2,1-2H3,(H,25,28)/b5-3+,9-8+,14-12+ |
| InChIKey |
QNYDAIQGBRQVNT-YCYCPGKDNA-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-H]- |
| SMILES |
CCCC(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C\CC\C=C\CC\C=C\C |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
