Spectrum PB000886 for Harman

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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
Natural Product; Harmine
InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
PSFDQSOCUJVVGF-UHFFFAOYSA-N
C12H10N2
182.08439832
N=1C=CC=2C=3C=CC=CC3NC2C1C

Mass Spectral Metadata

NameValue
PB000886
2016.01.19 (Created 2008.04.15, modified 2013.06.04)
Boettcher C, Institute of Plant Biochemistry, Halle, Germany
CC BY-SA
182.0844
API QSTAR Pulsar i
LC-ESI-QTOF
MS2
15 eV
ESI
positive
0.1538261208856964
0.14001856931000267
[M+H]+
183.09236832
0.0 ppm
0.0 Da