Spectrum MoNA023895 for INDOLE-3-ETHANOL

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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/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2
MBBOMCVGYCRMEA-UHFFFAOYSA-N
C10H11NO
161.084063972
OCCC1=CNC=2C=CC=CC21

Mass Spectral Metadata

NameValue
Thermo Scientific Orbitrap ID-X
LC-ESI-Orbitrap
Flow Injection
ESI
MS2
HCD (NCE 40%)
C10H11NO
161.0
161.08406000000002
IROA_DB_for_mona_filtered_exported_addedInfo.msp
positive
1.9670668720094768
0.49783486216225903
162.09136
[M+H]+
4.157976094389538 ppm
-6.739719999870886E-4 Da