Spectrum PM002315 for 5-Hydroxyindole-3-acetic 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
191.06
InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
DUUGKQCEGZLZNO-UHFFFAOYSA-N
C10H9NO3
191.05824314799997
O=C(O)CC1=CNC=2C=CC(O)=CC21

Mass Spectral Metadata

NameValue
PM002315
Bourcier S, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
CH3CN/H2O/CH3COOH
QqQ
API 3000
10->40V
ESI
positive
authentic sample
[M+H]+
MS2
0.6931471805599453
1.0
192
[M+H]+
344.86014583319974 ppm
-0.06621314799997435 Da