Spectrum CCMSLIB00004684335 for 4(3H)-quinazolinone

Rating: (*)★(*)★(*)★(*)★(*)☆

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
491-36-1
63112
QMNUDYFKZYBWQX-UHFFFAOYSA-N
C8H6N2O
146.048012812
O=C1N=CNC=2C=CC=CC12
InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)

Mass Spectral Metadata

NameValue
MS2
LC-ESI
Crude
Orbitrap
146.048
1
f.machushynets/MBT27extractMM.mzXML;
GNPS-LIBRARY
Nataliia Machushynets, Gilles van Wezel, machushynets
positive
0.7847405740353511
0.25027651782888294
147.055
[M+H]+
6.68329536560816 ppm
-9.82811999989508E-4 Da