| SpectraBase Compound ID | 4IQFxLomshr |
|---|---|
| InChI | InChI=1S/C19H32O15/c1-7(21)29-4-9(32-8(2)22)5-30-18-17(28)15(26)13(24)11(34-18)6-31-19-16(27)14(25)12(23)10(3-20)33-19/h9-20,23-28H,3-6H2,1-2H3 |
| InChIKey | ZDJYIEFNPSASNU-UHFFFAOYNA-N |
| Mol Weight | 500.5 g/mol |
| Molecular Formula | C19H32O15 |
| Exact Mass | 500.17412 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 | EoQGWvOvt87 |
|---|---|
| Name | DGDG 2:0_2:0 |
| Classification | Glycerolipids [GL] |
| Comments | Digalactosyldiacylglycerol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 500.174120315 u |
| Formula | C19H32O15 |
| InChI | InChI=1S/C19H32O15/c1-7(21)29-4-9(32-8(2)22)5-30-18-17(28)15(26)13(24)11(34-18)6-31-19-16(27)14(25)12(23)10(3-20)33-19/h9-20,23-28H,3-6H2,1-2H3 |
| InChIKey | ZDJYIEFNPSASNU-UHFFFAOYNA-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 | CC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(C)=O |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |