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DGDG 18:0_17:2
SpectraBase Compound ID 2jY5ibcqSt6
InChI InChI=1S/C50H90O15/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-41(52)60-35-38(63-42(53)33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2)36-61-49-48(59)46(57)44(55)40(65-49)37-62-50-47(58)45(56)43(54)39(34-51)64-50/h10,12,16,18,38-40,43-51,54-59H,3-9,11,13-15,17,19-37H2,1-2H3/b12-10-,18-16-
InChIKey LEKAIQHAHMRARB-XOMYGGGSNA-N
Mol Weight 931.3 g/mol
Molecular Formula C50H90O15
Exact Mass 930.627972 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 4sMnv2pwsNu
Name DGDG 18:0_17:2
Classification Glycerolipids [GL]
Comments Digalactosyldiacylglycerol
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 930.627972183 u
Formula C50H90O15
InChI InChI=1S/C50H90O15/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-41(52)60-35-38(63-42(53)33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2)36-61-49-48(59)46(57)44(55)40(65-49)37-62-50-47(58)45(56)43(54)39(34-51)64-50/h10,12,16,18,38-40,43-51,54-59H,3-9,11,13-15,17,19-37H2,1-2H3/b12-10-,18-16-
InChIKey LEKAIQHAHMRARB-XOMYGGGSNA-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 CCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCCC\C=C/C\C=C/CCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES