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FA 38:9

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FA 38:9
SpectraBase Compound ID HhlHAH03cHU
InChI InChI=1S/C38H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38(39)40/h3-4,6-7,9-10,12-13,15-16,18-19,21-22,24-25,27-28H,2,5,8,11,14,17,20,23,26,29-37H2,1H3,(H,39,40)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-,22-21-,25-24-,28-27-
InChIKey GJWQXSMORQKJQE-AADSIDNNSA-N
Mol Weight 546.9 g/mol
Molecular Formula C38H58O2
Exact Mass 546.443681 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Af6qliXGbkt
Name FA 38:9
Classification Fatty acyls [FA]
Comments Free fatty acid
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 546.443681106 u
Formula C38H58O2
InChI InChI=1S/C38H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38(39)40/h3-4,6-7,9-10,12-13,15-16,18-19,21-22,24-25,27-28H,2,5,8,11,14,17,20,23,26,29-37H2,1H3,(H,39,40)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-,22-21-,25-24-,28-27-
InChIKey GJWQXSMORQKJQE-AADSIDNNSA-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 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)=O
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES