Spectrum FiehnHILIC000871 for (2-oxo-2,3-dihydro-1H-indol-3-yl)acetic acid

Rating: (*)★(*)★(*)★(*)★(*)★
  • 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
ILGMGHZPXRDCCS-UHFFFAOYSA-N
C10H9NO3
191.05824314799997
O=C(O)CC1C(O)=NC=2C=CC=CC21
InChI=1S/C10H9NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4,7H,5H2,(H,11,14)(H,12,13)

Mass Spectral Metadata

NameValue
M + 0
negative
HCD (NCE 20-30-40%)
266
2.01735
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.2250281815908832
0.43238119859941493
190.05
[M-H]-
5.088913443685555 ppm
-9.671479999724397E-4 Da