| SpectraBase Spectrum ID |
B2N2JGKjlon |
| Name |
MGDG O-20:3_7:0 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked monogalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
640.455033632 u |
| Formula |
C36H64O9 |
| InChI |
InChI=1S/C36H64O9/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-42-28-30(44-32(38)25-23-8-6-4-2)29-43-36-35(41)34(40)33(39)31(27-37)45-36/h5,7,10-11,13-14,30-31,33-37,39-41H,3-4,6,8-9,12,15-29H2,1-2H3/b7-5-,11-10-,14-13- |
| InChIKey |
HYCWUJIXIMNZRJ-LNCSVHMCNA-N |
| Ion Polarity |
P |
| 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+Na]+ |
| SMILES |
CCCCCCC(=O)OC(COCCCCCCCCCC\C=C/C\C=C/C\C=C/CC)COC1OC(CO)C(O)C(O)C1O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
