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MGDG 3:0_22:5
SpectraBase Compound ID GaKlkL0l3Zb
InChI InChI=1S/C34H54O10/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30(37)43-27(25-41-29(36)4-2)26-42-34-33(40)32(39)31(38)28(24-35)44-34/h5-6,8-9,11-12,14-15,17-18,27-28,31-35,38-40H,3-4,7,10,13,16,19-26H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-
InChIKey IMHZUHUQVCECSU-AAQCHOMXNA-N
Mol Weight 622.8 g/mol
Molecular Formula C34H54O10
Exact Mass 622.371698 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID AAKevC3CHFx
Name MGDG 3:0_22:5
Classification Glycerolipids [GL]
Comments Monogalactosyldiacylglycerol
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 622.371697929 u
Formula C34H54O10
InChI InChI=1S/C34H54O10/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30(37)43-27(25-41-29(36)4-2)26-42-34-33(40)32(39)31(38)28(24-35)44-34/h5-6,8-9,11-12,14-15,17-18,27-28,31-35,38-40H,3-4,7,10,13,16,19-26H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-
InChIKey IMHZUHUQVCECSU-AAQCHOMXNA-N
Ion Polarity N
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+CH3COO]-
SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC(COC1OC(CO)C(O)C(O)C1O)COC(=O)CC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES