| SpectraBase Spectrum ID |
Fb3BGNlwWyN |
| Name |
MGDG O-28:1_24:6 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked monogalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
982.783684984 u |
| Formula |
C61H106O9 |
| InChI |
InChI=1S/C61H106O9/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-31-33-35-37-39-41-43-45-47-49-51-67-53-55(54-68-61-60(66)59(65)58(64)56(52-62)70-61)69-57(63)50-48-46-44-42-40-38-36-34-32-30-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20-21,23-24,30,34,36,40,42,55-56,58-62,64-66H,3-5,7,9-11,13,15-17,19,22,25-29,31-33,35,37-39,41,43-54H2,1-2H3/b8-6-,14-12-,20-18-,23-21-,30-24-,36-34-,42-40- |
| InChIKey |
LVIZVNTXSSSQFS-DCIAFYMGNA-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 |
CCCCCCCCCC\C=C/CCCCCCCCCCCCCCCCOCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
