Spectrum CCMSLIB00005724335 for 6-methylisoquinoline

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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
42398-73-2
640959
InChI=1S/C10H9N/c1-8-2-3-10-7-11-5-4-9(10)6-8/h2-7H,1H3
C10H9N
143.073499288
N=1C=CC=2C=C(C=CC2C1)C
PPEJLOXOMBAXES-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Orbitrap
143.074
1
f.kellogglab/AHR/Standands mixture.mzXML;
MS2
GNPS-LIBRARY
Y Tian, Kellogg, kellogglab
positive
0.8603455516701161
0.33542399157602765
144.081
[M+H]+
3.2571123187998987 ppm
-4.6928800000500814E-4 Da