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DGGA 25:0_24:2
SpectraBase Compound ID 5doVTliKr9m
InChI InChI=1S/C58H106O11/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-52(60)68-50(49-67-58-55(63)53(61)54(62)56(69-58)57(64)65)48-66-51(59)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h16,18,22,24,50,53-56,58,61-63H,3-15,17,19-21,23,25-49H2,1-2H3,(H,64,65)/b18-16-,24-22-
InChIKey DRAVGAWQYLJMFJ-MYSACRKYNA-N
Mol Weight 979.5 g/mol
Molecular Formula C58H106O11
Exact Mass 978.773514 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID HvL6iJ1J2at
Name DGGA 25:0_24:2
Classification Glycerolipids [GL]
Comments Diacylglyceryl glucuronide
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 978.773514222 u
Formula C58H106O11
InChI InChI=1S/C58H106O11/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-52(60)68-50(49-67-58-55(63)53(61)54(62)56(69-58)57(64)65)48-66-51(59)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h16,18,22,24,50,53-56,58,61-63H,3-15,17,19-21,23,25-49H2,1-2H3,(H,64,65)/b18-16-,24-22-
InChIKey DRAVGAWQYLJMFJ-MYSACRKYNA-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 CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC1OC(C(O)C(O)C1O)C(O)=O)COC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES