Spectrum FiehnHILIC002548 for 5-Hydroxyindole-3-acetic acid

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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
DUUGKQCEGZLZNO-UHFFFAOYSA-N
C10H9NO3
191.05824314799997
O=C(O)CC1=CNC=2C=CC(O)=CC21
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)

Mass Spectral Metadata

NameValue
M + 0
15 eV
negative
1.668233
153
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)
0.7092745270894416
0.44069704187391784
190.0521
[M-H]-
5.960744448559147 ppm
0.001132852000012008 Da