| SpectraBase Compound ID | whrolOSiqe |
|---|---|
| InChI | InChI=1S/C20H34O15/c1-3-12(23)33-9(5-30-8(2)22)6-31-19-18(29)16(27)14(25)11(35-19)7-32-20-17(28)15(26)13(24)10(4-21)34-20/h9-11,13-21,24-29H,3-7H2,1-2H3 |
| InChIKey | QKHGDKSFRSEBLD-UHFFFAOYNA-N |
| Mol Weight | 514.5 g/mol |
| Molecular Formula | C20H34O15 |
| Exact Mass | 514.18977 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | KfWYYk6bnXJ |
|---|---|
| Name | DGDG 2:0_3:0 |
| Classification | Glycerolipids [GL] |
| Comments | Digalactosyldiacylglycerol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 514.189770380 u |
| Formula | C20H34O15 |
| InChI | InChI=1S/C20H34O15/c1-3-12(23)33-9(5-30-8(2)22)6-31-19-18(29)16(27)14(25)11(35-19)7-32-20-17(28)15(26)13(24)10(4-21)34-20/h9-11,13-21,24-29H,3-7H2,1-2H3 |
| InChIKey | QKHGDKSFRSEBLD-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 | CCC(=O)OC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)COC(C)=O |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |