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 |