| SpectraBase Compound ID | 8IODnLQkuxl |
|---|---|
| InChI | InChI=1S/C24H42O15/c1-3-5-6-7-16(27)37-12(9-34-15(26)4-2)10-35-23-22(33)20(31)18(29)14(39-23)11-36-24-21(32)19(30)17(28)13(8-25)38-24/h12-14,17-25,28-33H,3-11H2,1-2H3 |
| InChIKey | YRYBBPIRUVEYLF-UHFFFAOYNA-N |
| Mol Weight | 570.6 g/mol |
| Molecular Formula | C24H42O15 |
| Exact Mass | 570.252371 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | FiDDc3Kgo6T |
|---|---|
| Name | DGDG 3:0_6:0 |
| Classification | Glycerolipids [GL] |
| Comments | Digalactosyldiacylglycerol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 570.252370637 u |
| Formula | C24H42O15 |
| InChI | InChI=1S/C24H42O15/c1-3-5-6-7-16(27)37-12(9-34-15(26)4-2)10-35-23-22(33)20(31)18(29)14(39-23)11-36-24-21(32)19(30)17(28)13(8-25)38-24/h12-14,17-25,28-33H,3-11H2,1-2H3 |
| InChIKey | YRYBBPIRUVEYLF-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 | CCCCCC(=O)OC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)COC(=O)CC |
| Sample Comments | theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |