Spectrum CCMSLIB00000479579 for Arachidic 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
506-30-9
10467
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
VKOBVWXKNCXXDE-UHFFFAOYSA-N
C20H40O2
312.30283052
O=C(O)CCCCCCCCCCCCCCCCCCC

Mass Spectral Metadata

NameValue
MS2
DI-ESI
Commercial
Orbitrap
312.303
1
Arachidic_acid_neg_2.mzXML
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
negative
0.7934883125882958
0.3006711160397476
311.313
[M-H]-
56.038392229017525 ppm
0.01744547999999213 Da