Spectrum FiehnHILIC002464 for 2,8-Quinolinediol

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
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
negative
138
35 eV
1.561817
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.269060769399809
0.42362289200638653
160.042
[M-H]-
9.981979730266747 ppm
0.0015975359999913508 Da