Spectrum MetaboBASE0875 for Pentadecanoic 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
WQEPLUUGTLDZJY-UHFFFAOYSA-N
C15H30O2
InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
242.2245802
O=C(O)CCCCCCCCCCCCCC

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
10
0.012
2014-08-18 21:42:48+02:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
1791
C:\Data\Confirmed standards 18_Aug_2014\n-Pentadecanoic acidV200 MSMS _1-D,1_01_638.d
0.3738404941300755
0.2322801589560434
241.2174
[M-H]-
0.39715211256265354 ppm
9.579999999687061E-5 Da