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FAHFA 14:1/20:1
SpectraBase Compound ID GetTgdWahlc
InChI InChI=1S/C34H62O4/c1-3-5-7-9-11-13-14-15-17-23-27-31-34(37)38-32(28-24-20-16-12-10-8-6-4-2)29-25-21-18-19-22-26-30-33(35)36/h9,11,24,28,32H,3-8,10,12-23,25-27,29-31H2,1-2H3,(H,35,36)/b11-9-,28-24-
InChIKey GBRXUCCYJAQDDO-NFDSREBVNA-N
Mol Weight 534.9 g/mol
Molecular Formula C34H62O4
Exact Mass 534.46481 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID R4VGnDajET
Name FAHFA 14:1/20:1
Classification Fatty acyls [FA]
Comments Fatty acid ester of hydroxyl fatty acid
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 534.464810472 u
Formula C34H62O4
InChI InChI=1S/C34H62O4/c1-3-5-7-9-11-13-14-15-17-23-27-31-34(37)38-32(28-24-20-16-12-10-8-6-4-2)29-25-21-18-19-22-26-30-33(35)36/h9,11,24,28,32H,3-8,10,12-23,25-27,29-31H2,1-2H3,(H,35,36)/b11-9-,28-24-
InChIKey GBRXUCCYJAQDDO-NFDSREBVNA-N
Ion Polarity N
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-H]-
SMILES CCCCCCCC\C=C/C(CCCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCC
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES