Spectrum PB000517 for Indole-3-carbinol

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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
Natural Product; Indole
InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2
IVYPNXXAYMYVSP-UHFFFAOYSA-N
C9H9NO
147.068413908
OCC1=CNC=2C=CC=CC21

Mass Spectral Metadata

NameValue
PB000517
2016.01.19 (Created 2008.01.02, modified 2013.06.04)
Boettcher C, Institute of Plant Biochemistry, Halle, Germany
CC BY-SA
147.06841
API QSTAR Pulsar i
LC-ESI-QTOF
MS2
40 eV
ESI
positive
1.5236111994567312
0.5271332987856666
[M+H-H2O]+
130.061043908
0.0 ppm
0.0 Da