Spectrum CCMSLIB00000078721 for NCGC00016435-05!HARMINE

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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
C13H12N2O
212.094963004
N=1C=CC=2C=3C=CC(OC)=CC3NC2C1C
InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
BXNJHAXVSOCGBA-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Prestwick Phytochem Lib
qTOF
212.095
1
p1-G02_GG2_01_17946.mzXML
MS2
GNPS-PRESTWICKPHYTOCHEM
213.103
vphelan, Dorrestein, VVP/LMS
positive
5.06360841519345
0.6832601938593312
[M+H]+
0.3143831856672661 ppm
6.699600001525141E-5 Da