Spectrum CA000167 for 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
Natural Product; Lipid
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
CA000167
2016.01.19 (Created 2007.03.15, modified 2011.05.10)
Akimoto N, Graduate School of Pharmaceutical Sciences, Kyoto University and Maoka T, Research Institute for Production Development
CC BY-SA
280.24023
JMS-HX/HX 110A, JEOL
FAB-EBEB
MS2
5 mA
6 kV xenon
3 kV
Ar
adjust to attenuate the intensity of the precursor ion by 30 %
FAB
1-2 uL m-NBA
stainless-steel
negative
1.2630300535106764
0.364433438938715
279.23
[M-H]-
10.58003796147182 ppm
-0.0029542639999817766 Da