| SpectraBase Spectrum ID |
6FgIRqn1IZy |
| Name |
DGDG O-16:3_6:0 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
732.429606727 u |
| Formula |
C37H64O14 |
| InChI |
InChI=1S/C37H64O14/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21-46-23-26(49-29(39)20-18-6-4-2)24-47-36-35(45)33(43)31(41)28(51-36)25-48-37-34(44)32(42)30(40)27(22-38)50-37/h5,7,9-10,12-13,26-28,30-38,40-45H,3-4,6,8,11,14-25H2,1-2H3/b7-5-,10-9-,13-12- |
| InChIKey |
COOQBTHWXYUKML-XQOKXTRKNA-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 |
CCCCCC(=O)OC(COCCCCCC\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 |
