| SpectraBase Compound ID | 9T0CuDiIAFe |
|---|---|
| InChI | InChI=1S/C33H60O15/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(36)46-22(18-43-21(2)35)19-44-32-31(42)29(40)27(38)24(48-32)20-45-33-30(41)28(39)26(37)23(17-34)47-33/h22-24,26-34,37-42H,3-20H2,1-2H3 |
| InChIKey | RJZXGQPMNODEJK-UHFFFAOYNA-N |
| Mol Weight | 696.8 g/mol |
| Molecular Formula | C33H60O15 |
| Exact Mass | 696.393221 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 | 7TPMkxdZT2b |
|---|---|
| Name | DGDG 2:0_16:0 |
| Classification | Glycerolipids [GL] |
| Comments | Digalactosyldiacylglycerol |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 696.393221217 u |
| Formula | C33H60O15 |
| InChI | InChI=1S/C33H60O15/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(36)46-22(18-43-21(2)35)19-44-32-31(42)29(40)27(38)24(48-32)20-45-33-30(41)28(39)26(37)23(17-34)47-33/h22-24,26-34,37-42H,3-20H2,1-2H3 |
| InChIKey | RJZXGQPMNODEJK-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 | CCCCCCCCCCCCCCCC(=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 |