| SpectraBase Spectrum ID |
5QOyWSb0oLI |
| Name |
DGDG O-24:5_7:0 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
854.539157178 u |
| Formula |
C46H78O14 |
| InChI |
InChI=1S/C46H78O14/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-55-32-35(58-38(48)29-27-8-6-4-2)33-56-45-44(54)42(52)40(50)37(60-45)34-57-46-43(53)41(51)39(49)36(31-47)59-46/h5,7,10-11,13-14,16-17,19-20,35-37,39-47,49-54H,3-4,6,8-9,12,15,18,21-34H2,1-2H3/b7-5-,11-10-,14-13-,17-16-,20-19- |
| InChIKey |
LMJJBFSZKQBFRG-GJCLIZKUNA-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+CH3COO]- |
| SMILES |
CCCCCCC(=O)OC(COCCCCCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
