Spectrum CCMSLIB00000845922 for NCGC00380299-01!3-hydroxy-4-(3-hydroxyphenyl)-1H-quinolin-2-one

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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
n/a
n/a
InChI=1S/C15H11NO3/c17-10-5-3-4-9(8-10)13-11-6-1-2-7-12(11)16-15(19)14(13)18/h1-8,17-18H,(H,16,19)
C15H11NO3
253.07389321199997
OC1=CC=CC(=C1)C=2C(O)=C(O)N=C3C=CC=CC32
QIJIOTTYIGBOQA-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
253.074
1
positive
C5_GC5_01_2800.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.1168475011119776
0.5556401056847112
254.081
[M+H]+
3.3973890215502713 ppm
-8.632119999845145E-4 Da