| SpectraBase Spectrum ID |
158SZETxf2Z |
| Name |
DGDG O-28:7_21:2 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked digalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1098.758258079 u |
| Formula |
C64H106O14 |
| InChI |
InChI=1S/C64H106O14/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-46-48-73-50-53(76-56(66)47-45-43-41-39-37-35-33-31-22-20-18-16-14-12-10-8-6-4-2)51-74-63-62(72)60(70)58(68)55(78-63)52-75-64-61(71)59(69)57(67)54(49-65)77-64/h5,7,11,13-14,16-17,19-20,22-24,26-27,29-30,34,36,53-55,57-65,67-72H,3-4,6,8-10,12,15,18,21,25,28,31-33,35,37-52H2,1-2H3/b7-5-,13-11-,16-14-,19-17-,22-20-,24-23-,27-26-,30-29-,36-34- |
| InChIKey |
HMNMQSDFBXHQTL-LHFCKIMKNA-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\C=C/C\C=C/CCCCCCCCCC(=O)OC(COCCCCCC\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 |
