Spectrum FiehnHILIC001623 for 2,8-Quinolinediol

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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
ZXZKYYHTWHJHFT-UHFFFAOYSA-N
C9H7NO2
161.047678464
OC=1N=C2C(O)=CC=CC2=CC1
InChI=1S/C9H7NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h1-5,11H,(H,10,12)

Mass Spectral Metadata

NameValue
M + 0
15 eV
positive
119
1.602633
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)
1.4521436342784861
0.3814742279308569
162.0549
[M+H]+
4.618582961683258 ppm
-7.484639999972842E-4 Da