| SpectraBase Compound ID | Ae55UAebyQh |
|---|---|
| InChI | InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3 |
| InChIKey | OTKJDMGTUTTYMP-UHFFFAOYNA-N |
| Mol Weight | 301.5 g/mol |
| Molecular Formula | C18H39NO2 |
| Exact Mass | 301.298079 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 30zHO7I3BHI |
|---|---|
| Name | SPB 18:0;2O |
| Classification | Sphingolipids [SP] |
| Comments | Sphinganine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.298079498 u |
| Formula | C18H39NO2 |
| InChI | InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3 |
| InChIKey | OTKJDMGTUTTYMP-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 | CCCCCCCCCCCCCCCC(O)C(N)CO |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |