Spectrum EMBL-MCF_spec315210 for Arachidonic acid

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
304.24023026
444899
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-
YZXBAPSDXZZRGB-DOFZRALJSA-N
C20H32O2
304.240230264
O=C(O)CCCC=CCC=CCC=CCC=CCCCCC

Mass Spectral Metadata

NameValue
MS2
Lipid_114_115_pos6.mzML
114: Arachidonic acid
1.2616674
spec315210
710
20.0 eV
Kinetex C18 (100x 2.1mm; 2.6uM)
LIP_AI
10mM Ammonium formate+0.1 % formic acid in Isopropanol:ACN (90:10)(A), 10mM Ammonium formate+0.1 % formic acid in Water:ACN (60:40) (B)
20.0
Thermo Q-Exactive Plus
LC-ESI-QFT
Prasad Phapale
positive
2.8900285333355358
0.6172463763068428
327.232716116666
8.299453362125282 ppm
0.002715852665971852 Da