Spectrum FiehnHILIC002048 for Levamisole

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  • Originally submitted to the Fiehn Lab HILIC Library

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
HLFSDGLLUJUHTE-SNVBAGLBSA-N
C11H12N2S
204.072119384
N1=C2SCCN2CC1C=3C=CC=CC3
InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1

Mass Spectral Metadata

NameValue
M + 0
15 eV
positive
2.811433
242
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
2.7112711045700753
0.5440379448811061
205.0802
[M+H]+
0.5393792282269008 ppm
1.1061600000061844E-4 Da