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TG 19:1_19:1_24:6
SpectraBase Compound ID D7HG86FjMf7
InChI InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-37-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28-30,32-33,35-38,43,46,62H,4-6,8-9,11-15,17-18,20-24,26-27,31,34,39-42,44-45,47-61H2,1-3H3/b10-7-,19-16-,28-25-,33-32-,36-29-,37-30-,38-35-,46-43-
InChIKey UWTBGQSFWFFBNE-HVHBNGQVNA-N
Mol Weight 987.6 g/mol
Molecular Formula C65H110O6
Exact Mass 986.830241 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID C4KtDhOqw8t
Name TG 19:1_19:1_24:6
Classification Glycerolipids [GL]
Comments Triacylglyceride
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 986.830241256 u
Formula C65H110O6
InChI InChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-35-38-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-37-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,28-30,32-33,35-38,43,46,62H,4-6,8-9,11-15,17-18,20-24,26-27,31,34,39-42,44-45,47-61H2,1-3H3/b10-7-,19-16-,28-25-,33-32-,36-29-,37-30-,38-35-,46-43-
InChIKey UWTBGQSFWFFBNE-HVHBNGQVNA-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 CCCCCCCCC\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCCCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES