Spectrum VF-NPL-QEHF026426 for Norharman

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  • 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/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
C11H8N2
168.068748256
N=1C=CC2=C(C1)NC=3C=CC=CC32
AIFRHYZBTHREPW-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
10
45HCD
NP_UC_2344_p5_H04_4.raw
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.7341566865175158
0.6829033679469243
191.0579681396484
[M+Na]+
2.8793164552754376 ppm
-5.501163515759799E-4 Da