| SpectraBase Spectrum ID |
2khrHQvH4D8 |
| Name |
DGDG O-22:5_2:0 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
756.429606727 u |
| Formula |
C39H64O14 |
| InChI |
InChI=1S/C39H64O14/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-48-25-29(51-28(2)41)26-49-38-37(47)35(45)33(43)31(53-38)27-50-39-36(46)34(44)32(42)30(24-40)52-39/h4-5,7-8,10-11,13-14,16-17,29-40,42-47H,3,6,9,12,15,18-27H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16- |
| InChIKey |
QTWJCHDJRWBSKL-JEBPEJKENA-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 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCOCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(C)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
