| SpectraBase Compound ID | 6Zq1pfLodBR |
|---|---|
| InChI | InChI=1S/C49H87NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-47(54)55-40-32-34-48(3)39(36-40)27-28-41-43-30-29-42(49(43,4)35-33-44(41)48)38(2)26-31-45(51)50-37-46(52)53/h38-44H,5-37H2,1-4H3,(H,50,51)(H,52,53) |
| InChIKey | MMVQZFAYPBBUJA-UHFFFAOYNA-N |
| Mol Weight | 770.2 g/mol |
| Molecular Formula | C49H87NO5 |
| Exact Mass | 769.658425 g/mol |
Mass Spectrum (LC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DScrnVlH0eY |
|---|---|
| Name | ST 24:1;O3;G/23:0 |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 769.658424900 u |
| Formula | C49H87NO5 |
| InChI | InChI=1S/C49H87NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-47(54)55-40-32-34-48(3)39(36-40)27-28-41-43-30-29-42(49(43,4)35-33-44(41)48)38(2)26-31-45(51)50-37-46(52)53/h38-44H,5-37H2,1-4H3,(H,50,51)(H,52,53) |
| InChIKey | MMVQZFAYPBBUJA-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 | CCCCCCCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3C4CCC(C(C)CCC(=O)NCC(O)=O)C4(C)CCC23)C1 |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |