| SpectraBase Compound ID | 1IOW9qGvn16 |
|---|---|
| InChI | InChI=1S/C60H121NO3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-60(64)61-58(57-62)59(63)55-53-51-49-47-45-43-18-16-14-12-10-8-6-4-2/h58-59,62-63H,3-57H2,1-2H3,(H,61,64) |
| InChIKey | JOIVQVCIXRUKFT-UHFFFAOYNA-N |
| Mol Weight | 904.6 g/mol |
| Molecular Formula | C60H121NO3 |
| Exact Mass | 903.934647 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | AazKVpdKFPw |
|---|---|
| Name | Cer 19:0;2O/41:0 |
| Classification | Sphingolipids [SP] |
| Comments | Ceramide non-hydroxyfatty acid-dihydrosphingosine |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 903.934646757 u |
| Formula | C60H121NO3 |
| InChI | InChI=1S/C60H121NO3/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-44-46-48-50-52-54-56-60(64)61-58(57-62)59(63)55-53-51-49-47-45-43-18-16-14-12-10-8-6-4-2/h58-59,62-63H,3-57H2,1-2H3,(H,61,64) |
| InChIKey | JOIVQVCIXRUKFT-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+CH3COO]- |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)CCCCCCCCCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |