| SpectraBase Compound ID | f9KjNQuywo |
|---|---|
| InChI | InChI=1S/C48H90O10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-30-32-34-36-43(50)55-39-41(40-56-48-47(54)46(53)45(52)42(38-49)58-48)57-44(51)37-35-33-31-28-14-12-10-8-6-4-2/h8,10,41-42,45-49,52-54H,3-7,9,11-40H2,1-2H3/b10-8- |
| InChIKey | MRXWJIQDOVECKQ-NTMALXAHNA-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 | 4zKccOvcqAb |
|---|---|
| Name | MGDG 26:0_13:1 |
| 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/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-30-32-34-36-43(50)55-39-41(40-56-48-47(54)46(53)45(52)42(38-49)58-48)57-44(51)37-35-33-31-28-14-12-10-8-6-4-2/h8,10,41-42,45-49,52-54H,3-7,9,11-40H2,1-2H3/b10-8- |
| InChIKey | MRXWJIQDOVECKQ-NTMALXAHNA-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+NH4]+ |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCC\C=C/CCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |