| SpectraBase Compound ID | DkmUB0em3sk |
|---|---|
| InChI | InChI=1S/C24H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)23(25)22-26/h20-21,23-24,26-27H,2-19,22,25H2,1H3/b21-20+ |
| InChIKey | KLRTVNNDDQXREP-QZQOTICONA-N |
| Mol Weight | 383.7 g/mol |
| Molecular Formula | C24H49NO2 |
| Exact Mass | 383.37633 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | LAfmnqzg2UQ |
|---|---|
| Name | SPB 24:1;2O |
| Classification | Sphingolipids [SP] |
| Comments | Sphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.376329820 u |
| Formula | C24H49NO2 |
| InChI | InChI=1S/C24H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)23(25)22-26/h20-21,23-24,26-27H,2-19,22,25H2,1H3/b21-20+ |
| InChIKey | KLRTVNNDDQXREP-QZQOTICONA-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 | CCCCCCCCCCCCCCCCCCC\C=C\C(O)C(N)CO |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |