Spectrum MetaboBASE0911 for Heptadecanoic 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/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
KEMQGTRYUADPNZ-UHFFFAOYSA-N
C17H34O2
270.255880328
O=C(O)CCCCCCCCCCCCCCCC

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
0.011
2014-08-20 04:19:05+02:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
1935.6
C:\Data\Confirmed standards 19_Aug_2014\Heptadecanoic acid v164 MSMS_1-C,2_01_668.d
0.41440278866125296
0.2989284240660734
269.2496
[M-H]-
3.6979516403654267 ppm
9.95671999987735E-4 Da