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FAHFA 15:1/24:4
SpectraBase Compound ID DAq01FzVQQm
InChI InChI=1S/C39H66O4/c1-3-5-7-9-11-13-15-17-18-20-22-25-29-33-37(34-30-26-24-27-31-35-38(40)41)43-39(42)36-32-28-23-21-19-16-14-12-10-8-6-4-2/h5,7,11-14,17-18,22,25,37H,3-4,6,8-10,15-16,19-21,23-24,26-36H2,1-2H3,(H,40,41)/b7-5-,13-11-,14-12-,18-17-,25-22-
InChIKey POPLIXMMQNVUBZ-SBLFQWPSNA-N
Mol Weight 599.0 g/mol
Molecular Formula C39H66O4
Exact Mass 598.496111 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5t3l2TF6wrt
Name FAHFA 15:1/24:4
Classification Fatty acyls [FA]
Comments Fatty acid ester of hydroxyl fatty acid
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 598.496110601 u
Formula C39H66O4
InChI InChI=1S/C39H66O4/c1-3-5-7-9-11-13-15-17-18-20-22-25-29-33-37(34-30-26-24-27-31-35-38(40)41)43-39(42)36-32-28-23-21-19-16-14-12-10-8-6-4-2/h5,7,11-14,17-18,22,25,37H,3-4,6,8-10,15-16,19-21,23-24,26-36H2,1-2H3,(H,40,41)/b7-5-,13-11-,14-12-,18-17-,25-22-
InChIKey POPLIXMMQNVUBZ-SBLFQWPSNA-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 CCCCC\C=C/CCCCCCCC(=O)OC(CCCCCCCC(O)=O)CC\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