| SpectraBase Compound ID | LdKAJZOzZAJ |
|---|---|
| InChI | InChI=1S/C21H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)20(22)19-23/h17-18,20-21,23-24H,2-16,19,22H2,1H3/b18-17+ |
| InChIKey | ZAQHRPVUJOMDFI-ISLYRVAYNA-N |
| Mol Weight | 341.6 g/mol |
| Molecular Formula | C21H43NO2 |
| Exact Mass | 341.32938 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 4hKJzmJldFc |
|---|---|
| Name | SPB 21:1;2O |
| Classification | Sphingolipids [SP] |
| Comments | Sphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.329379627 u |
| Formula | C21H43NO2 |
| InChI | InChI=1S/C21H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)20(22)19-23/h17-18,20-21,23-24H,2-16,19,22H2,1H3/b18-17+ |
| InChIKey | ZAQHRPVUJOMDFI-ISLYRVAYNA-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\C=C\C(O)C(N)CO |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |