Spectrum CCMSLIB00005464117 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
526-55-6
InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2
C10H11NO
161.084063972
OCCC1=CNC=2C=CC=CC21
MBBOMCVGYCRMEA-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
161.084
1
MSV000084479/peak/mzXML/GNPS00005_B4_p.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
positive
0.9330519400735753
0.25293641380257387
162.091
[M+H]+
6.37895996685609 ppm
-0.0010339719999876706 Da