| SpectraBase Spectrum ID |
AQTNpMKcAzp |
| Name |
MGDG 2:0_16:3 |
| Classification |
Glycerolipids [GL] |
| Comments |
Monogalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
528.293447607 u |
| Formula |
C27H44O10 |
| InChI |
InChI=1S/C27H44O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(30)36-21(18-34-20(2)29)19-35-27-26(33)25(32)24(31)22(17-28)37-27/h4-5,7-8,10-11,21-22,24-28,31-33H,3,6,9,12-19H2,1-2H3/b5-4-,8-7-,11-10- |
| InChIKey |
NAFFFYDYYMJLIJ-YSTUJMKBNA-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 |
CC\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC1OC(CO)C(O)C(O)C1O)COC(C)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
