| SpectraBase Spectrum ID |
5furiZ6FA5k |
| Name |
MGDG O-16:3_18:0 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked monogalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
738.564584083 u |
| Formula |
C43H78O9 |
| InChI |
InChI=1S/C43H78O9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(45)51-37(36-50-43-42(48)41(47)40(46)38(34-44)52-43)35-49-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,37-38,40-44,46-48H,3-5,7,9-11,13,15-17,19-20,22-36H2,1-2H3/b8-6-,14-12-,21-18- |
| InChIKey |
KLWKUEGOUUARFZ-QYKSGGSCNA-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+CH3COO]- |
| SMILES |
CCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCC\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 |
