| SpectraBase Spectrum ID |
GkJEfS5yAXV |
| Name |
DGDG O-15:0_28:2 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1028.773908144 u |
| Formula |
C58H108O14 |
| InChI |
InChI=1S/C58H108O14/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-50(60)70-47(44-67-42-40-38-36-34-32-30-16-14-12-10-8-6-4-2)45-68-57-56(66)54(64)52(62)49(72-57)46-69-58-55(65)53(63)51(61)48(43-59)71-58/h15,17,19-20,47-49,51-59,61-66H,3-14,16,18,21-46H2,1-2H3/b17-15-,20-19- |
| InChIKey |
PBBGDPFLHJGQGJ-YVCOGYDTNA-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 |
CCCCCCCCCCCCCCCOCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
