| SpectraBase Compound ID | JqOsGsm5vov |
|---|---|
| InChI | InChI=1S/C38H75NO10/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-31(42)37(47)39-29(33(43)30(41)25-23-6-4-2)28-48-38-36(46)35(45)34(44)32(27-40)49-38/h29-36,38,40-46H,3-28H2,1-2H3,(H,39,47) |
| InChIKey | RSGKFTVDZBVUOJ-UHFFFAOYNA-N |
| Mol Weight | 706.0 g/mol |
| Molecular Formula | C38H75NO10 |
| Exact Mass | 705.539098 g/mol |
Mass Spectrum (LC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CjP8ecA8bnO |
|---|---|
| Name | HexCer 9:0;3O/23:0;(2OH) |
| Classification | Sphingolipids [SP] |
| Comments | Hexosylceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 705.539097609 u |
| Formula | C38H75NO10 |
| InChI | InChI=1S/C38H75NO10/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-31(42)37(47)39-29(33(43)30(41)25-23-6-4-2)28-48-38-36(46)35(45)34(44)32(27-40)49-38/h29-36,38,40-46H,3-28H2,1-2H3,(H,39,47) |
| InChIKey | RSGKFTVDZBVUOJ-UHFFFAOYNA-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 | CCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)CCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |