Spectrum MoNA036342 for ETHYL 3-INDOLEACETIC 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
HUDBDWIQSIGUDI-UHFFFAOYSA-N
C12H13NO2
203.094628656
O=C(OCC)CC1=CNC=2C=CC=CC21
InChI=1S/C12H13NO2/c1-2-15-12(14)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,8,13H,2,7H2,1H3

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent qTOF 6545
C12H13NO2
positive
40 eV
Sonnenburg Lab MS2 Library HILIC positive method
Sonnenburg_Lab_qTOF_MS2_Spectra.msp
1.351341048362007
0.5438196434772696
204.1019047
[M+H]+
3.400046663024174 ppm
-6.93955999992113E-4 Da