Spectrum VF-NPL-QEHF000295 for arachidic acid

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

Mass Spectral Metadata

NameValue
35HCD
120_30_NEG_QEHF_114.raw
7
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
1.0063258910665234
0.2124754488291456
311.2955932617188
[M-H]-
0.12445315529483172 ppm
3.8741718810797465E-5 Da