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TG 14:1_24:6_24:6
SpectraBase Compound ID 8jnZwfYALDR
InChI InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,36-39,43-44,46-47,62H,4-6,9,12-14,21-23,28-29,34-35,40-42,45,48-61H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,38-36-,39-37-,46-43-,47-44-
InChIKey GBSZQVQVQYDIKD-PPTBPFHKNA-N
Mol Weight 977.5 g/mol
Molecular Formula C65H100O6
Exact Mass 976.751991 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6XaTPkFdz1f
Name TG 14:1_24:6_24:6
Classification Glycerolipids [GL]
Comments Triacylglyceride
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 976.751990934 u
Formula C65H100O6
InChI InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-38-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-39-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-27,30-33,36-39,43-44,46-47,62H,4-6,9,12-14,21-23,28-29,34-35,40-42,45,48-61H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,38-36-,39-37-,46-43-,47-44-
InChIKey GBSZQVQVQYDIKD-PPTBPFHKNA-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 CCCC\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)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