| SpectraBase Spectrum ID |
3Wq782qbMc0 |
| Name |
HexCer 8:0;3O/19:1;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
633.445197223 u |
| Formula |
C33H63NO10 |
| InChI |
InChI=1S/C33H63NO10/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(37)32(42)34-24(28(38)25(36)20-6-4-2)23-43-33-31(41)30(40)29(39)27(22-35)44-33/h13-14,24-31,33,35-41H,3-12,15-23H2,1-2H3,(H,34,42)/b14-13- |
| InChIKey |
YYQUNVHHZFSPAZ-YPKPFQOONA-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 |
CCCCCCCCC\C=C/CCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
