| SpectraBase Spectrum ID |
AZAFemhc4z8 |
| Name |
MGDG O-10:0_28:7 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked monogalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
786.564584083 u |
| Formula |
C47H78O9 |
| InChI |
InChI=1S/C47H78O9/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-43(49)55-41(39-53-37-35-33-31-12-10-8-6-4-2)40-54-47-46(52)45(51)44(50)42(38-48)56-47/h5,7,11,13,15-16,18-19,21-22,24-25,27-28,41-42,44-48,50-52H,3-4,6,8-10,12,14,17,20,23,26,29-40H2,1-2H3/b7-5-,13-11-,16-15-,19-18-,22-21-,25-24-,28-27- |
| InChIKey |
AVCNJSYFMVGQSI-KPJPKQRSNA-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 |
CCCCCCCCCCOCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCC\C=C/C\C=C/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 |
