Spectrum CCMSLIB00000077192 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
506-32-1
C20H32O2
304.240230264
O=C(O)CCCC=CCC=CCC=CCC=CCCCCC
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-CGRWFSSPSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial standard
Q-TOF
304.24
1
Arachidonic_acid.mzXML
MS2
GNPS-LIBRARY
Amina, abouslimani, Dorrestein
positive
5.5443615672234285
0.843957264266649
305.249
[M+H]+
2.6199463389990973 ppm
7.997360000331355E-4 Da