| SpectraBase Spectrum ID |
3YLBr0IBfk9 |
| Name |
DGDG O-26:7_6:0 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
864.523507113 u |
| Formula |
C47H76O14 |
| InChI |
InChI=1S/C47H76O14/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-56-33-36(59-39(49)30-28-6-4-2)34-57-46-45(55)43(53)41(51)38(61-46)35-58-47-44(54)42(52)40(50)37(32-48)60-47/h5,7,9-10,12-13,15-16,18-19,21-22,24-25,36-38,40-48,50-55H,3-4,6,8,11,14,17,20,23,26-35H2,1-2H3/b7-5-,10-9-,13-12-,16-15-,19-18-,22-21-,25-24- |
| InChIKey |
UWKPRDKRKYFLGS-XYHAFBFLNA-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+HCOO]- |
| SMILES |
CCCCCC(=O)OC(COCCCC\C=C/C\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 |
