| SpectraBase Spectrum ID |
4QURNgwUat7 |
| Name |
MGDG 4:0_18:3 |
| Classification |
Glycerolipids [GL] |
| Comments |
Monogalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
584.356047864 u |
| Formula |
C31H52O10 |
| InChI |
InChI=1S/C31H52O10/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27(34)40-24(22-38-26(33)19-4-2)23-39-31-30(37)29(36)28(35)25(21-32)41-31/h5-6,8-9,11-12,24-25,28-32,35-37H,3-4,7,10,13-23H2,1-2H3/b6-5-,9-8-,12-11- |
| InChIKey |
JDCVFCNOYSGEAK-AGRJPVHONA-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(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
