Spectrum MetaboBASE1104 for Palmitic 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/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
IPCSVZSSVZVIGE-UHFFFAOYSA-N
C16H32O2
256.240230264
O=C(O)CCCCCCCCCCCCCCC

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
20
0.013
2014-08-26 17:16:25+02:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
1881.6
C:\Data\Confirmed standards 21_Aug_2014\Palmitic acid vial 206_1-A,2_01_703.d
0.4106952896158526
0.25517933089740663
255.2331
[M-H]-
0.5709917718644091 ppm
1.457360000074459E-4 Da