| SpectraBase Spectrum ID |
47nKu5gS6kr |
| Name |
DGDG O-26:6_16:2 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1002.664357693 u |
| Formula |
C57H94O14 |
| InChI |
InChI=1S/C57H94O14/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-66-43-46(69-49(59)40-38-36-34-32-30-28-16-14-12-10-8-6-4-2)44-67-56-55(65)53(63)51(61)48(71-56)45-68-57-54(64)52(62)50(60)47(42-58)70-57/h5,7-8,10-11,13-14,16-18,20-21,23-24,26-27,46-48,50-58,60-65H,3-4,6,9,12,15,19,22,25,28-45H2,1-2H3/b7-5-,10-8-,13-11-,16-14-,18-17-,21-20-,24-23-,27-26- |
| InChIKey |
ZKVACVBJYIEMIB-DGMJNNLNNA-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+Na]+ |
| SMILES |
CCC\C=C/C\C=C/CCCCCCCC(=O)OC(COCCCCCCC\C=C/C\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 |
