| SpectraBase Compound ID | HELF334l59M |
|---|---|
| InChI | InChI=1S/C55H109NO5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-53(59)55(61)56-51(50-57)54(60)52(58)48-46-44-42-40-12-10-8-6-4-2/h25-26,51-54,57-60H,3-24,27-50H2,1-2H3,(H,56,61)/b26-25- |
| InChIKey | OGHMXFDGUBDSMT-QPLCGJKRNA-N |
| Mol Weight | 864.5 g/mol |
| Molecular Formula | C55H109NO5 |
| Exact Mass | 863.830576 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 5bz7JVKPbCP |
|---|---|
| Name | Cer 15:0;3O/40:1;(2OH) |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 863.830575609 u |
| Formula | C55H109NO5 |
| InChI | InChI=1S/C55H109NO5/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-53(59)55(61)56-51(50-57)54(60)52(58)48-46-44-42-40-12-10-8-6-4-2/h25-26,51-54,57-60H,3-24,27-50H2,1-2H3,(H,56,61)/b26-25- |
| InChIKey | OGHMXFDGUBDSMT-QPLCGJKRNA-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 | CCCCCCCCCCCCCCCCCC\C=C/CCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |