Spectrum MetaboBASE0914 for Tricosanoic 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/C23H46O2/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/h2-22H2,1H3,(H,24,25)
XEZVDURJDFGERA-UHFFFAOYSA-N
C23H46O2
354.349780712
O=C(O)CCCCCCCCCCCCCCCCCCCCCC

Mass Spectral Metadata

NameValue
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
negative
MS2
5
Nitrogen
30
0.019
2014-08-20 04:59:53+02:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
2086.2
C:\Data\Confirmed standards 19_Aug_2014\Tricosanoic acid v219 MSMS_1-D,4_01_669.d
0.6732301057215916
0.6128004507739254
353.3415
[M-H]-
2.843458806839116 ppm
-0.0010047119999967435 Da