Spectrum EMBL-MCF_spec347009 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
Fatty_acid_mix_Elena_neg_amo_act.mzML
114: Arachidonic acid
4.158056
spec347009
2341
30.0 eV
Ascentis C18 (10cmx 2.1mm; 2.7uM)
LIP_NI
10mM Ammonium acetate in Isopropanol:ACN (90:10)(A), 10mM Ammonium acetate in Water:ACN (60:40) (B)
30.0
Thermo Q-Exactive Plus
LC-ESI-QFT
MS2
Prasad Phapale
negative
1.5671436988391776
0.35762988897391934
303.232041974554
3.0085522626082897 ppm
-9.122894459778763E-4 Da