| SpectraBase Compound ID | KX4YXO7yiAf |
|---|---|
| InChI | InChI=1S/C25H46O14/c1-3-4-5-6-7-8-9-34-11-15(37-14(2)27)12-35-24-23(33)21(31)19(29)17(39-24)13-36-25-22(32)20(30)18(28)16(10-26)38-25/h15-26,28-33H,3-13H2,1-2H3 |
| InChIKey | OFDGESWHVDZEDG-UHFFFAOYNA-N |
| Mol Weight | 570.6 g/mol |
| Molecular Formula | C25H46O14 |
| Exact Mass | 570.288756 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | Fuj7XmzXlk0 |
|---|---|
| Name | DGDG O-8:0_2:0 |
| Classification | Glycerolipids [GL] |
| Comments | Ether-linked digalactosyldiacylglycerol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 570.288756147 u |
| Formula | C25H46O14 |
| InChI | InChI=1S/C25H46O14/c1-3-4-5-6-7-8-9-34-11-15(37-14(2)27)12-35-24-23(33)21(31)19(29)17(39-24)13-36-25-22(32)20(30)18(28)16(10-26)38-25/h15-26,28-33H,3-13H2,1-2H3 |
| InChIKey | OFDGESWHVDZEDG-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 | CCCCCCCCOCC(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 |