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DG 38:10

View entire compound with spectra: 2 MS (LC)

DG 38:10
SpectraBase Compound ID 7SOqsP1LQCj
InChI InChI=1S/C41H60O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5-8,11-14,17-18,20-21,23-26,29-32,39,42H,3-4,9-10,15-16,19,22,27-28,33-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,18-17-,21-20-,25-23-,26-24-,31-29-,32-30-
InChIKey AWYKNXIHLDGFDB-RUQMHDRUNA-N
Mol Weight 632.9 g/mol
Molecular Formula C41H60O5
Exact Mass 632.444075 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID A9VJXw7O5wL
Name DG 38:10
Classification Glycerolipids [GL]
Comments Diacylglycerol
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 632.444075027 u
Formula C41H60O5
InChI InChI=1S/C41H60O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5-8,11-14,17-18,20-21,23-26,29-32,39,42H,3-4,9-10,15-16,19,22,27-28,33-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,18-17-,21-20-,25-23-,26-24-,31-29-,32-30-
InChIKey AWYKNXIHLDGFDB-RUQMHDRUNA-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+Na]+
SMILES CC\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OCC(CO)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES