Spectrum FiehnHILIC002009 for Indole-3-carbinol

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

Mass Spectral Metadata

NameValue
M + 0
1.136133
15 eV
82
positive
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)
1.5463076998863723
0.7037549624358476
148.0754
[M+H]+
6.644641851346856 ppm
-9.839079999949263E-4 Da