| SpectraBase Compound ID | DRXvU66f8W1 |
|---|---|
| InChI | InChI=1S/C37H75NO5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-35(41)37(43)38-33(32-39)36(42)34(40)30-6-4-2/h33-36,39-42H,3-32H2,1-2H3,(H,38,43) |
| InChIKey | CVUYNBCFXPKPQL-UHFFFAOYNA-N |
| Mol Weight | 614.0 g/mol |
| Molecular Formula | C37H75NO5 |
| Exact Mass | 613.564525 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | K4Dx6ZZXMxZ |
|---|---|
| Name | Cer 8:0;3O/29:0;(2OH) |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide alpha-hydroxy fatty acid-phytospingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 613.564524514 u |
| Formula | C37H75NO5 |
| InChI | InChI=1S/C37H75NO5/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-35(41)37(43)38-33(32-39)36(42)34(40)30-6-4-2/h33-36,39-42H,3-32H2,1-2H3,(H,38,43) |
| InChIKey | CVUYNBCFXPKPQL-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-H]- |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |