| SpectraBase Spectrum ID |
IBGSgH4Oh9d |
| Name |
MGDG 2:0_18:4 |
| Classification |
Glycerolipids [GL] |
| Comments |
Monogalactosyldiacylglycerol |
| Copyright |
Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
554.309097671 u |
| Formula |
C29H46O10 |
| InChI |
InChI=1S/C29H46O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(32)38-23(20-36-22(2)31)21-37-29-28(35)27(34)26(33)24(19-30)39-29/h4-5,7-8,10-11,13-14,23-24,26-30,33-35H,3,6,9,12,15-21H2,1-2H3/b5-4-,8-7-,11-10-,14-13- |
| InChIKey |
NJISPBQLQKTUGG-GJDCDIHCNA-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 |
CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC(COC1OC(CO)C(O)C(O)C1O)COC(C)=O |
| Sample Comments |
theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES |
