Spectrum MoNA002340 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
OYHQOLUKZRVURQ-HZJYTTRNSA-N
C18H32O2
280.240230264
O=C(O)CCCCCCCC=CCC=CCCCCC
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-

Mass Spectral Metadata

NameValue
12394
14.32833
2216.724
95
111489
111489
111489
111489
InertCap 5MS/NP (30 m x 0.25 mm i.d., df=0.25 µm)
80-330°C
70 eV
GCMS-TQ8040
GC-EI-QqQMS
310°C
85-500
280°C
Methoxyamine, MSTFA(1TMS)
export.msp
4.231516076411652
0.8538465986058456