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MGDG O-8:0_2:0
SpectraBase Compound ID HFqz0N8fs3T
InChI InChI=1S/C19H36O9/c1-3-4-5-6-7-8-9-25-11-14(27-13(2)21)12-26-19-18(24)17(23)16(22)15(10-20)28-19/h14-20,22-24H,3-12H2,1-2H3
InChIKey MTLFJJMJSMLCRO-UHFFFAOYNA-N
Mol Weight 408.5 g/mol
Molecular Formula C19H36O9
Exact Mass 408.235933 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 59MpG95jHgz
Name MGDG O-8:0_2:0
Classification Glycerolipids [GL]
Comments Ether-linked monogalactosyldiacylglycerol
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.235932730 u
Formula C19H36O9
InChI InChI=1S/C19H36O9/c1-3-4-5-6-7-8-9-25-11-14(27-13(2)21)12-26-19-18(24)17(23)16(22)15(10-20)28-19/h14-20,22-24H,3-12H2,1-2H3
InChIKey MTLFJJMJSMLCRO-UHFFFAOYNA-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+HCOO]-
SMILES CCCCCCCCOCC(COC1OC(CO)C(O)C(O)C1O)OC(C)=O
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES