| SpectraBase Compound ID | CqEuoZGosq1 |
|---|---|
| InChI | InChI=1S/C37H73NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-36(41)37(42)38-34(33-39)35(40)31-29-27-25-23-12-10-8-6-4-2/h18-19,34-36,39-41H,3-17,20-33H2,1-2H3,(H,38,42)/b19-18- |
| InChIKey | AMWUWHRPQBNDEV-HNENSFHCNA-N |
| Mol Weight | 596.0 g/mol |
| Molecular Formula | C37H73NO4 |
| Exact Mass | 595.55396 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | DjbA87JTEfW |
|---|---|
| Name | Cer 14:0;2O/23:1;(2OH) |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide alpha-hydroxy fatty acid-dihydrosphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 595.553959831 u |
| Formula | C37H73NO4 |
| InChI | InChI=1S/C37H73NO4/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-36(41)37(42)38-34(33-39)35(40)31-29-27-25-23-12-10-8-6-4-2/h18-19,34-36,39-41H,3-17,20-33H2,1-2H3,(H,38,42)/b19-18- |
| InChIKey | AMWUWHRPQBNDEV-HNENSFHCNA-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+CH3COO]- |
| SMILES | CCCCCCCCCCC\C=C/CCCCCCCCC(O)C(=O)NC(CO)C(O)CCCCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |