| SpectraBase Spectrum ID |
AyL9ucZPiqH |
| Name |
MGDG O-18:5_17:0 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked monogalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
748.548934018 u |
| Formula |
C44H76O9 |
| InChI |
InChI=1S/C44H76O9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-50-36-38(37-51-44-43(49)42(48)41(47)39(35-45)53-44)52-40(46)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,38-39,41-45,47-49H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-37H2,1-2H3/b7-5-,13-11-,19-17-,24-22-,30-28- |
| InChIKey |
ONSOXAMKYBXZAF-GLWDABGQNA-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 |
CCCCCCCCCCCCCCCCC(=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 |
