| SpectraBase Compound ID | 33WqAF229cz |
|---|---|
| InChI | InChI=1S/C38H75NO4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-37(42)38(43)39-35(34-40)36(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,35-37,40-42H,3-16,19-34H2,1-2H3,(H,39,43)/b18-17- |
| InChIKey | GVQUVRXSHHYLDH-ZCXUNETKNA-N |
| Mol Weight | 610.0 g/mol |
| Molecular Formula | C38H75NO4 |
| Exact Mass | 609.56961 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | IofLq9lusQZ |
|---|---|
| Name | Cer 18:0;2O/20:1;(2OH) |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide alpha-hydroxy fatty acid-dihydrosphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 609.569609895 u |
| Formula | C38H75NO4 |
| InChI | InChI=1S/C38H75NO4/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-37(42)38(43)39-35(34-40)36(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h17-18,35-37,40-42H,3-16,19-34H2,1-2H3,(H,39,43)/b18-17- |
| InChIKey | GVQUVRXSHHYLDH-ZCXUNETKNA-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-H]- |
| SMILES | CCCCCCCCCCCCCCCC(O)C(CO)NC(=O)C(O)CCCCCCCC\C=C/CCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |