Spectrum CCMSLIB00000479580 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
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
DI-ESI
Commercial
Orbitrap
304.24
1
Arachidonic_acid_neg2.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
negative
1.3523182882453628
0.4678700186406763
303.232
[M-H]-
3.146976572301824 ppm
-9.542639999722269E-4 Da