| SpectraBase Spectrum ID |
3BHbWR8GZlu |
| Name |
MGDG 7:0_16:2 |
| Classification |
Glycerolipids [GL] |
| Comments |
Monogalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
600.387347993 u |
| Formula |
C32H56O10 |
| InChI |
InChI=1S/C32H56O10/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-28(35)41-25(23-39-27(34)20-18-8-6-4-2)24-40-32-31(38)30(37)29(36)26(22-33)42-32/h7,9,11-12,25-26,29-33,36-38H,3-6,8,10,13-24H2,1-2H3/b9-7-,12-11- |
| InChIKey |
GLPAQCBEIGKXNI-BWGIOWMMNA-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 |
CCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
