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MGDG 16:2_26:2
SpectraBase Compound ID 5dEpd7L1scU
InChI InChI=1S/C51H90O10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-47(54)60-44(43-59-51-50(57)49(56)48(55)45(41-52)61-51)42-58-46(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h8,10,14-17,19-20,44-45,48-52,55-57H,3-7,9,11-13,18,21-43H2,1-2H3/b10-8-,16-14-,17-15-,20-19-
InChIKey KUCPPHVCNFOINF-ZOKJTHACNA-N
Mol Weight 863.3 g/mol
Molecular Formula C51H90O10
Exact Mass 862.653399 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 50f73xUQFRa
Name MGDG 16:2_26:2
Classification Glycerolipids [GL]
Comments Monogalactosyldiacylglycerol
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 862.653399088 u
Formula C51H90O10
InChI InChI=1S/C51H90O10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-47(54)60-44(43-59-51-50(57)49(56)48(55)45(41-52)61-51)42-58-46(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h8,10,14-17,19-20,44-45,48-52,55-57H,3-7,9,11-13,18,21-43H2,1-2H3/b10-8-,16-14-,17-15-,20-19-
InChIKey KUCPPHVCNFOINF-ZOKJTHACNA-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 CCCCCCC\C=C/C\C=C/CCCCCCCCCCCCCC(=O)OC(COC1OC(CO)C(O)C(O)C1O)COC(=O)CCCCCCC\C=C/C\C=C/CCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES