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TG 10:0_24:6_36:3
SpectraBase Compound ID 6UFhYri2JyV
InChI InChI=1S/C73H124O6/c1-4-7-10-13-16-18-20-22-24-26-28-30-31-32-33-34-35-36-37-38-39-40-41-43-44-46-48-50-52-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-15-12-9-6-3)79-73(76)67-64-61-58-55-53-51-49-47-45-42-29-27-25-23-21-19-17-14-11-8-5-2/h8,11,17,19-20,22-23,25-26,28-29,31-32,42,47,49,53,55,70H,4-7,9-10,12-16,18,21,24,27,30,33-41,43-46,48,50-52,54,56-69H2,1-3H3/b11-8-,19-17-,22-20-,25-23-,28-26-,32-31-,42-29-,49-47-,55-53-
InChIKey BSOIWLGNXXZPQQ-WZYVASNWNA-N
Mol Weight 1097.8 g/mol
Molecular Formula C73H124O6
Exact Mass 1096.939792 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID I49WYYkPbTT
Name TG 10:0_24:6_36:3
Classification Glycerolipids [GL]
Comments Triacylglyceride
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1096.939791707 u
Formula C73H124O6
InChI InChI=1S/C73H124O6/c1-4-7-10-13-16-18-20-22-24-26-28-30-31-32-33-34-35-36-37-38-39-40-41-43-44-46-48-50-52-54-57-60-63-66-72(75)78-69-70(68-77-71(74)65-62-59-56-15-12-9-6-3)79-73(76)67-64-61-58-55-53-51-49-47-45-42-29-27-25-23-21-19-17-14-11-8-5-2/h8,11,17,19-20,22-23,25-26,28-29,31-32,42,47,49,53,55,70H,4-7,9-10,12-16,18,21,24,27,30,33-41,43-46,48,50-52,54,56-69H2,1-3H3/b11-8-,19-17-,22-20-,25-23-,28-26-,32-31-,42-29-,49-47-,55-53-
InChIKey BSOIWLGNXXZPQQ-WZYVASNWNA-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 CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCC\C=C/C\C=C/C\C=C/CCCCCCC)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