| SpectraBase Spectrum ID |
9iGE7JNDYVP |
| Name |
MGDG O-18:5_11:0 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked monogalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
664.455033632 u |
| Formula |
C38H64O9 |
| InChI |
InChI=1S/C38H64O9/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-44-30-32(46-34(40)27-25-23-21-12-10-8-6-4-2)31-45-38-37(43)36(42)35(41)33(29-39)47-38/h5,7,11,13,15-16,18-19,22,24,32-33,35-39,41-43H,3-4,6,8-10,12,14,17,20-21,23,25-31H2,1-2H3/b7-5-,13-11-,16-15-,19-18-,24-22- |
| InChIKey |
JJIMNWICWRGEGD-MCYDJIHJNA-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 |
CCCCCCCCCCC(=O)OC(COCC\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 |
