Spectrum MetaboBASE0877 for Myristic 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/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
TUNFSRHWOTWDNC-UHFFFAOYSA-N
C14H28O2
228.208930136
O=C(O)CCCCCCCCCCCCC

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
0.02
2014-08-18 20:21:08+02:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
1681.8
C:\Data\Confirmed standards 18_Aug_2014\Myristic acid vial 190 MSMS_1-C,7_01_636.d
0.6013600816356
0.5473815356322402
227.2018
[M-H]-
0.6420019559247109 ppm
1.4586399998961497E-4 Da