Spectrum MetaboBASE0929 for Lignoceric 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
InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)
QZZGJDVWLFXDLK-UHFFFAOYSA-N
C24H48O2
368.365430776
O=C(O)CCCCCCCCCCCCCCCCCCCCCCC

Mass Spectral Metadata

NameValue
negative
MS2
5
Nitrogen
30
0.017
2014-08-21 23:55:37+02:00
License CC-BY-NC-SA 4.0 International
Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LC-ESI-TOF
impact HD
ESI
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
2113.2
C:\Data\Confirmed standards 21_Aug_2014\Lignoceric acid vial 183_1-C,6_01_682.d
0.5192145125556318
0.7490682024215904
367.359
[M-H]-
2.3008120121960274 ppm
8.452239999883204E-4 Da