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MGDG O-15:1_2:0
SpectraBase Compound ID CjexehxijIL
InChI InChI=1S/C26H48O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-32-18-21(34-20(2)28)19-33-26-25(31)24(30)23(29)22(17-27)35-26/h7-8,21-27,29-31H,3-6,9-19H2,1-2H3/b8-7-
InChIKey XSBGNLHSEZPHDK-FPLPWBNLNA-N
Mol Weight 504.7 g/mol
Molecular Formula C26H48O9
Exact Mass 504.329833 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7yQFwN1PVSj
Name MGDG O-15:1_2:0
Classification Glycerolipids [GL]
Comments Ether-linked monogalactosyldiacylglycerol
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.329833117 u
Formula C26H48O9
InChI InChI=1S/C26H48O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-32-18-21(34-20(2)28)19-33-26-25(31)24(30)23(29)22(17-27)35-26/h7-8,21-27,29-31H,3-6,9-19H2,1-2H3/b8-7-
InChIKey XSBGNLHSEZPHDK-FPLPWBNLNA-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 CCCCC\C=C/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