| SpectraBase Compound ID | EYIFAUlkyYM |
|---|---|
| InChI | InChI=1S/C41H76O15/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-33(44)54-29(26-51-32(43)23-21-19-10-8-6-4-2)27-52-40-39(50)37(48)35(46)31(56-40)28-53-41-38(49)36(47)34(45)30(25-42)55-41/h29-31,34-42,45-50H,3-28H2,1-2H3 |
| InChIKey | MVXYKIJKMISXJV-UHFFFAOYNA-N |
| Mol Weight | 809.0 g/mol |
| Molecular Formula | C41H76O15 |
| Exact Mass | 808.518422 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 | F33V6rFKZDc |
|---|---|
| Name | DGDG 9:0_17:0 |
| Classification | Glycerolipids [GL] |
| Comments | Digalactosyldiacylglycerol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 808.518421732 u |
| Formula | C41H76O15 |
| InChI | InChI=1S/C41H76O15/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-33(44)54-29(26-51-32(43)23-21-19-10-8-6-4-2)27-52-40-39(50)37(48)35(46)31(56-40)28-53-41-38(49)36(47)34(45)30(25-42)55-41/h29-31,34-42,45-50H,3-28H2,1-2H3 |
| InChIKey | MVXYKIJKMISXJV-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+HCOO]- |
| SMILES | CCCCCCCCCCCCCCCCC(=O)OC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)COC(=O)CCCCCCCC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |