Spectrum CCMSLIB00004684219 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
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-DOFZRALJSA-N

Mass Spectral Metadata

NameValue
0.0
LC-ESI
Commercial
qTof
1
f.lfnothias/TEMP/201809_TEMP_REFERENCE_N_ACYL_AMIDES/arachidonic_acid_M+H.mzML;
MS2
GNPS-LIBRARY
Dorrestein, lfnothias
positive
3.800538548740475
0.5227475912374598
305.24
[M+H]+
26.864971825387943 ppm
-0.008200263999981416 Da