| SpectraBase Spectrum ID |
IqKgF7iJ1KL |
| Name |
HexCer 16:1;2O/8:0 |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide non-hydroxyfatty acid-sphingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
559.408417791 u |
| Formula |
C30H57NO8 |
| InChI |
InChI=1S/C30H57NO8/c1-3-5-7-9-10-11-12-13-14-16-17-19-24(33)23(31-26(34)20-18-15-8-6-4-2)22-38-30-29(37)28(36)27(35)25(21-32)39-30/h17,19,23-25,27-30,32-33,35-37H,3-16,18,20-22H2,1-2H3,(H,31,34)/b19-17+ |
| InChIKey |
YYIFZNTYGBANRI-HTXNQAPBNA-N |
| Ion Polarity |
P |
| 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 |
CCCCCCCCCCC\C=C\C(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)CCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
