| SpectraBase Spectrum ID |
6TDOiTBw1l9 |
| Name |
MGDG O-13:1_17:2 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked monogalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
682.501983825 u |
| Formula |
C39H70O9 |
| InChI |
InChI=1S/C39H70O9/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-35(41)47-33(32-46-39-38(44)37(43)36(42)34(30-40)48-39)31-45-29-27-25-23-21-19-14-12-10-8-6-4-2/h8-11,15-16,33-34,36-40,42-44H,3-7,12-14,17-32H2,1-2H3/b10-8-,11-9-,16-15- |
| InChIKey |
LXKGPAAIOSFJEL-OHAOOUHYNA-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+NH4]+ |
| SMILES |
CCCC\C=C/C\C=C/CCCCCCCC(=O)OC(COCCCCCCCC\C=C/CCC)COC1OC(CO)C(O)C(O)C1O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
