| SpectraBase Spectrum ID |
55nyOfOUizz |
| Name |
MGDG O-19:1_21:1 |
| Classification |
Glycerolipids [GL] |
| Comments |
Ether-linked monogalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
824.674134533 u |
| Formula |
C49H92O9 |
| InChI |
InChI=1S/C49H92O9/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-45(51)57-43(42-56-49-48(54)47(53)46(52)44(40-50)58-49)41-55-39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h19-21,23,43-44,46-50,52-54H,3-18,22,24-42H2,1-2H3/b21-19-,23-20- |
| InChIKey |
RVHJSHINYFBRFF-XNMGEWHANA-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\C=C/CCCCCCCCCC(=O)OC(COCCCCCCCC\C=C/CCCCCCCCC)COC1OC(CO)C(O)C(O)C1O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
