Spectrum MetaboBASE1093 for 9Z,12Z-Linoleic 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/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
OYHQOLUKZRVURQ-HZJYTTRNSA-N
C18H32O2
280.240230264
O=C(O)CCCCCCCC=CCC=CCCCCC

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
10
0.016
2014-11-25 23:09:26+01:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
1791.6
C:\Data\Confirmed standards 25_Nov_2014\9Z,12Z-Linoleic acid v399 MSMS_1-A,2_01_1328.d
0.43019204776012043
0.3915776768541875
279.233
[M-H]-
0.16379152895297566 ppm
4.5736000004126254E-5 Da