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TG 10:0_24:6_24:6
SpectraBase Compound ID KITohTHr5y6
InChI InChI=1S/C61H94O6/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-34-36-38-40-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-15-12-9-6-3)67-61(64)55-52-49-46-43-41-39-37-35-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h7-8,10-11,16-19,22-25,28-31,34-37,40-43,58H,4-6,9,12-15,20-21,26-27,32-33,38-39,44-57H2,1-3H3/b10-7-,11-8-,18-16-,19-17-,24-22-,25-23-,30-28-,31-29-,36-34-,37-35-,42-40-,43-41-
InChIKey BCVRFEZDUIMVDF-LFRSVOOXNA-N
Mol Weight 923.4 g/mol
Molecular Formula C61H94O6
Exact Mass 922.705041 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7lhxM9hHwOw
Name TG 10:0_24:6_24:6
Classification Glycerolipids [GL]
Comments Triacylglyceride
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 922.705040741 u
Formula C61H94O6
InChI InChI=1S/C61H94O6/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-34-36-38-40-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-15-12-9-6-3)67-61(64)55-52-49-46-43-41-39-37-35-33-31-29-27-25-23-21-19-17-14-11-8-5-2/h7-8,10-11,16-19,22-25,28-31,34-37,40-43,58H,4-6,9,12-15,20-21,26-27,32-33,38-39,44-57H2,1-3H3/b10-7-,11-8-,18-16-,19-17-,24-22-,25-23-,30-28-,31-29-,36-34-,37-35-,42-40-,43-41-
InChIKey BCVRFEZDUIMVDF-LFRSVOOXNA-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 CCCCCCCCCC(=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)CCCC\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