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TG 14:0_25:0_26:6
SpectraBase Compound ID Aq05K9ZAo44
InChI InChI=1S/C68H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-37-39-41-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-42-40-38-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30,32,36-37,41,43,65H,4-6,8-9,11-15,17-18,20-23,25,27-29,31,33-35,38-40,42,44-64H2,1-3H3/b10-7-,19-16-,26-24-,32-30-,37-36-,43-41-
InChIKey VXKJEXRERGLVFZ-WCJLXYOINA-N
Mol Weight 1033.7 g/mol
Molecular Formula C68H120O6
Exact Mass 1032.908492 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9h13fJwxc3R
Name TG 14:0_25:0_26:6
Classification Glycerolipids [GL]
Comments Triacylglyceride
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1032.908491578 u
Formula C68H120O6
InChI InChI=1S/C68H120O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-37-39-41-43-46-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-48-45-21-18-15-12-9-6-3)74-68(71)62-59-56-53-50-47-44-42-40-38-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7,10,16,19,24,26,30,32,36-37,41,43,65H,4-6,8-9,11-15,17-18,20-23,25,27-29,31,33-35,38-40,42,44-64H2,1-3H3/b10-7-,19-16-,26-24-,32-30-,37-36-,43-41-
InChIKey VXKJEXRERGLVFZ-WCJLXYOINA-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 CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCC\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