| SpectraBase Spectrum ID |
DNlRzGz6XBF |
| Name |
MGDG O-24:5_9:0 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked monogalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
720.517633889 u |
| Formula |
C42H72O9 |
| InChI |
InChI=1S/C42H72O9/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-48-34-36(50-38(44)31-29-27-10-8-6-4-2)35-49-42-41(47)40(46)39(45)37(33-43)51-42/h5,7,11-12,14-15,17-18,20-21,36-37,39-43,45-47H,3-4,6,8-10,13,16,19,22-35H2,1-2H3/b7-5-,12-11-,15-14-,18-17-,21-20- |
| InChIKey |
RUMJMTHULHKRJW-TYBQXOFFNA-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 |
CCCCCCCCC(=O)OC(COCCCCCCCC\C=C/C\C=C/C\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 |
