| SpectraBase Spectrum ID |
F3Uw4ZJuSWE |
| Name |
DGDG O-16:2_7:0 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
748.460906856 u |
| Formula |
C38H68O14 |
| InChI |
InChI=1S/C38H68O14/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-47-24-27(50-30(40)21-19-8-6-4-2)25-48-37-36(46)34(44)32(42)29(52-37)26-49-38-35(45)33(43)31(41)28(23-39)51-38/h7,9,11-12,27-29,31-39,41-46H,3-6,8,10,13-26H2,1-2H3/b9-7-,12-11- |
| InChIKey |
UCDAVKGLIYWQDI-BWGIOWMMNA-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 |
CCCCCCC(=O)OC(COCCCCCCCC\C=C/C\C=C/CCC)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 |
