| SpectraBase Spectrum ID |
C8CS3a4bHOi |
| Name |
MGDG O-22:2_18:5 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked monogalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
814.595884211 u |
| Formula |
C49H82O9 |
| InChI |
InChI=1S/C49H82O9/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-55-41-43(42-56-49-48(54)47(53)46(52)44(40-50)58-49)57-45(51)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,24,28,30,34,36,43-44,46-50,52-54H,3-5,7,9-10,15-16,20-23,25-27,29,31-33,35,37-42H2,1-2H3/b8-6-,13-11-,14-12-,19-17-,24-18-,30-28-,36-34- |
| InChIKey |
SNGQOIWBOUNKOJ-IZESUTOBNA-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+Na]+ |
| SMILES |
CCCCC\C=C/C\C=C/CCCCCCCCCCCCOCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)C\C=C/C\C=C/C\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 |
