Spectrum VF-NPL-QEHF000094 for 2,8-quinolinediol

Rating: (*)★(*)★(*)★(*)★(*)☆
  • Originally submitted to the Vaniya/Fiehn Natural Products 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
InChI=1S/C11H9NO3/c1-7(13)15-9-4-2-3-8-5-6-10(14)12-11(8)9/h2-6H,1H3,(H,12,14)
C11H9NO3
203.058243148
O=C(OC1=CC=CC2=CC=C(O)N=C12)C
UTMRKCQYCLEKDL-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
25HCD
120_111_POS_QEHF_218.raw
9
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.6629314897646204
0.639606927093158
204.0655212402344
[M+H]+
3.390615726724412 ppm
-6.919077655993533E-4 Da