| SpectraBase Spectrum ID |
C5YanJ9t3sZ |
| Name |
DGDG O-24:3_18:2 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1008.711307886 u |
| Formula |
C57H100O14 |
| InChI |
InChI=1S/C57H100O14/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-66-43-46(69-49(59)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2)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/h12,14-15,17-18,20-21,23-24,26,46-48,50-58,60-65H,3-11,13,16,19,22,25,27-45H2,1-2H3/b14-12-,17-15-,21-20-,24-23-,26-18- |
| InChIKey |
QABHSINIJQDROZ-GWBNIQHTNA-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\C=C/C\C=C/C\C=C/CCCCCCCCCOCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
