Spectrum VF-NPL-QTOF006720 for arachidic acid

Rating: (*)★(*)★(*)★(*)★(*)☆
  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
VKOBVWXKNCXXDE-UHFFFAOYSA-N
C20H40O2
312.30283052
O=C(O)CCCCCCCCCCCCCCCCCCC
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)

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
negative
40 V
120_30
6.576 minutes
1.4633884915537576
0.49700078755513466
311.2956
[M-H]-
0.14609907747794934 ppm
4.547999998294472E-5 Da