| SpectraBase Compound ID | 3UbqL7Bf2Xq |
|---|---|
| InChI | InChI=1S/C59H119NO4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-58(63)60-56(55-61)59(64)57(62)53-51-49-47-45-43-41-39-37-35-22-20-18-16-14-12-10-8-6-4-2/h56-57,59,61-62,64H,3-55H2,1-2H3,(H,60,63) |
| InChIKey | SWKVXKGRESIOOT-UHFFFAOYNA-N |
| Mol Weight | 906.6 g/mol |
| Molecular Formula | C59H119NO4 |
| Exact Mass | 905.913911 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 4C6tfnNsWTW |
|---|---|
| Name | Cer 25:0;3O/34:0 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide non-hydroxyfatty acid-phytospingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 905.913911312 u |
| Formula | C59H119NO4 |
| InChI | InChI=1S/C59H119NO4/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-52-54-58(63)60-56(55-61)59(64)57(62)53-51-49-47-45-43-41-39-37-35-22-20-18-16-14-12-10-8-6-4-2/h56-57,59,61-62,64H,3-55H2,1-2H3,(H,60,63) |
| InChIKey | SWKVXKGRESIOOT-UHFFFAOYNA-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 | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |