| SpectraBase Spectrum ID |
3ylvqnmj6GX |
| Name |
HexCer 8:0;2O/16:4 |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide non-hydroxyfatty acid-dihydrosphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
553.361467598 u |
| Formula |
C30H51NO8 |
| InChI |
InChI=1S/C30H51NO8/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-26(34)31-23(24(33)19-17-6-4-2)22-38-30-29(37)28(36)27(35)25(21-32)39-30/h5,7,9-10,12-13,15-16,23-25,27-30,32-33,35-37H,3-4,6,8,11,14,17-22H2,1-2H3,(H,31,34)/b7-5-,10-9-,13-12-,16-15- |
| InChIKey |
DCYMKYMRLFZZGO-KUXGPOOQNA-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 |
CCCCCC(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CC\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 |
