| SpectraBase Compound ID | AVfpSqZChR5 |
|---|---|
| InChI | InChI=1S/C23H45NO3/c1-3-5-7-8-9-10-11-12-13-14-15-17-18-22(26)21(20-25)24-23(27)19-16-6-4-2/h17-18,21-22,25-26H,3-16,19-20H2,1-2H3,(H,24,27)/b18-17+ |
| InChIKey | KDRQUXQQNFOTAO-ISLYRVAYNA-N |
| Mol Weight | 383.6 g/mol |
| Molecular Formula | C23H45NO3 |
| Exact Mass | 383.339944 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 8yrxNT9SuRl |
|---|---|
| Name | Cer 17:1;2O/6:0 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide non-hydroxyfatty acid-sphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.339944310 u |
| Formula | C23H45NO3 |
| InChI | InChI=1S/C23H45NO3/c1-3-5-7-8-9-10-11-12-13-14-15-17-18-22(26)21(20-25)24-23(27)19-16-6-4-2/h17-18,21-22,25-26H,3-16,19-20H2,1-2H3,(H,24,27)/b18-17+ |
| InChIKey | KDRQUXQQNFOTAO-ISLYRVAYNA-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+HCOO]- |
| SMILES | CCCCCCCCCCCC\C=C\C(O)C(CO)NC(=O)CCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |