| SpectraBase Spectrum ID |
D52OzjETOh3 |
| Name |
HexCer 8:0;3O/22:1;(2OH) |
| Classification |
Sphingolipids [SP] |
| Comments |
Hexosylceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
675.492147416 u |
| Formula |
C36H69NO10 |
| InChI |
InChI=1S/C36H69NO10/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29(40)35(45)37-27(31(41)28(39)23-6-4-2)26-46-36-34(44)33(43)32(42)30(25-38)47-36/h14-15,27-34,36,38-44H,3-13,16-26H2,1-2H3,(H,37,45)/b15-14- |
| InChIKey |
RCEHYLDCDBOLMB-PFONDFGANA-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 |
CCCCCCCCCC\C=C/CCCCCCCCC(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 |
