| SpectraBase Spectrum ID |
Bz9aSYQGFih |
| Name |
DGDG O-28:2_20:0 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1098.852158466 u |
| Formula |
C63H118O14 |
| InChI |
InChI=1S/C63H118O14/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-45-47-72-49-52(75-55(65)46-44-42-40-38-36-34-32-30-20-18-16-14-12-10-8-6-4-2)50-73-62-61(71)59(69)57(67)54(77-62)51-74-63-60(70)58(68)56(66)53(48-64)76-63/h15,17,21-22,52-54,56-64,66-71H,3-14,16,18-20,23-51H2,1-2H3/b17-15-,22-21- |
| InChIKey |
WUHCTOXMRQYOBG-RDTMPOLENA-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 |
CCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCCCCCCCCC\C=C/C\C=C/CCCCCCC)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 |
