| SpectraBase Compound ID | KwuUo0X0Hbt |
|---|---|
| InChI | InChI=1S/C47H93NO3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-47(51)48-45(44-49)46(50)42-40-38-36-34-32-30-18-16-14-12-10-8-6-4-2/h20-21,45-46,49-50H,3-19,22-44H2,1-2H3,(H,48,51)/b21-20- |
| InChIKey | DCSILEZKOGWNID-MRCUWXFGNA-N |
| Mol Weight | 720.3 g/mol |
| Molecular Formula | C47H93NO3 |
| Exact Mass | 719.715546 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | K3tPZFGibvA |
|---|---|
| Name | Cer 19:0;2O/28:1 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide non-hydroxyfatty acid-dihydrosphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 719.715545856 u |
| Formula | C47H93NO3 |
| InChI | InChI=1S/C47H93NO3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-47(51)48-45(44-49)46(50)42-40-38-36-34-32-30-18-16-14-12-10-8-6-4-2/h20-21,45-46,49-50H,3-19,22-44H2,1-2H3,(H,48,51)/b21-20- |
| InChIKey | DCSILEZKOGWNID-MRCUWXFGNA-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 | CCCCCCCCCCCCCCCCC(O)C(CO)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |