Spectrum FiehnHILIC002762 for Indole-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
SEOVTRFCIGRIMH-UHFFFAOYSA-N
C10H9NO2
175.063328528
O=C(O)CC1=CNC=2C=CC=CC21
InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)

Mass Spectral Metadata

NameValue
15 eV
negative
M + 6
1.19765
86
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)
0.733519323886833
0.4557611811054361
174.0569
[M-H]-
4.868936537441437 ppm
8.474720000037905E-4 Da