For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

FA 36:10

View entire compound with spectra: 1 MS (LC)

FA 36:10
SpectraBase Compound ID L2itr9zJ53O
InChI InChI=1S/C36H52O2/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/h3-4,6-7,9-10,12-13,15-16,18-19,21-22,24-25,27-28,30-31H,2,5,8,11,14,17,20,23,26,29,32-35H2,1H3,(H,37,38)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-,22-21-,25-24-,28-27-,31-30-
InChIKey OHEBREBOXLEJBH-QEXHNFCLSA-N
Mol Weight 516.8 g/mol
Molecular Formula C36H52O2
Exact Mass 516.396731 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2Pls8t0XzRS
Name FA 36:10
Classification Fatty acyls [FA]
Comments Free fatty acid
Copyright Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.396730912 u
Formula C36H52O2
InChI InChI=1S/C36H52O2/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/h3-4,6-7,9-10,12-13,15-16,18-19,21-22,24-25,27-28,30-31H,2,5,8,11,14,17,20,23,26,29,32-35H2,1H3,(H,37,38)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-,22-21-,25-24-,28-27-,31-30-
InChIKey OHEBREBOXLEJBH-QEXHNFCLSA-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/C\C=C/CCCCC(O)=O
Sample Comments theoretical MS2 created from the information of SCIEX 5600 and 6600 with 45CE +-15CES