| SpectraBase Compound ID | 6V6wdxL4dsS |
|---|---|
| InChI | InChI=1S/C48H90O10/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-43(50)55-39-41(40-56-48-47(54)46(53)45(52)42(38-49)58-48)57-44(51)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h20,22,41-42,45-49,52-54H,3-19,21,23-40H2,1-2H3/b22-20- |
| InChIKey | HVOJICSQWMUKSX-XDOYNYLZNA-N |
| Mol Weight | 827.2 g/mol |
| Molecular Formula | C48H90O10 |
| Exact Mass | 826.653399 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 | GxLmOgEFX06 |
|---|---|
| Name | MGDG 20:0_19:1 |
| Classification | Glycerolipids [GL] |
| Comments | Monogalactosyldiacylglycerol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 826.653399088 u |
| Formula | C48H90O10 |
| InChI | InChI=1S/C48H90O10/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-43(50)55-39-41(40-56-48-47(54)46(53)45(52)42(38-49)58-48)57-44(51)37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h20,22,41-42,45-49,52-54H,3-19,21,23-40H2,1-2H3/b22-20- |
| InChIKey | HVOJICSQWMUKSX-XDOYNYLZNA-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 | CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCC\C=C/CCCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |