| SpectraBase Compound ID | E9i0AmUrSt6 |
|---|---|
| InChI | InChI=1S/C23H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(26)23(27)21(24)20-25/h21-23,25-27H,2-20,24H2,1H3 |
| InChIKey | CVHASLZROHKHCI-UHFFFAOYNA-N |
| Mol Weight | 387.6 g/mol |
| Molecular Formula | C23H49NO3 |
| Exact Mass | 387.371244 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 | Fi2g8jvodKL |
|---|---|
| Name | SPB 23:0;3O |
| Classification | Sphingolipids [SP] |
| Comments | Phytosphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.371244439 u |
| Formula | C23H49NO3 |
| InChI | InChI=1S/C23H49NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(26)23(27)21(24)20-25/h21-23,25-27H,2-20,24H2,1H3 |
| InChIKey | CVHASLZROHKHCI-UHFFFAOYNA-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 | CCCCCCCCCCCCCCCCCCCC(C(C(CO)N)O)O |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |