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FAHFA 26:1/15:0
SpectraBase Compound ID D4fLyg4H6sS
InChI InChI=1S/C41H78O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-34-38-41(44)45-39(35-31-27-8-6-4-2)36-32-29-30-33-37-40(42)43/h15-16,39H,3-14,17-38H2,1-2H3,(H,42,43)/b16-15-
InChIKey YPVDQMUILRKKRL-NXVVXOECNA-N
Mol Weight 635.1 g/mol
Molecular Formula C41H78O4
Exact Mass 634.590011 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5x21kb9zYcT
Name FAHFA 26:1/15:0
Classification Fatty acyls [FA]
Comments Fatty acid ester of hydroxyl fatty acid
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 634.590010988 u
Formula C41H78O4
InChI InChI=1S/C41H78O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-34-38-41(44)45-39(35-31-27-8-6-4-2)36-32-29-30-33-37-40(42)43/h15-16,39H,3-14,17-38H2,1-2H3,(H,42,43)/b16-15-
InChIKey YPVDQMUILRKKRL-NXVVXOECNA-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 CCCCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)OC(CCCCCCC)CCCCCCC(O)=O
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES