Spectrum KO008997 for Harmaline

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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
InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,14H,5-6H2,1-2H3
QJOZJXNKVMFAET-UHFFFAOYSA-N
C13H14N2O
214.11061306800002
N1=C2C=C(OC)C=CC2=C3C1=C(NCC3)C

Mass Spectral Metadata

NameValue
KO008997
2011.12.05 (Created 2008.05.12)
Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
214.11061
LC/MSD Trap XCT, Agilent Technologies
LC-ESI-IT
MS3
0.60/0.60
LC/MSD Trap Control and Data Analysis
positive
215/174
[M+H]+
2.003842244144534
0.8356671231125234
174.0
[M+H]+
236313.69579310357 ppm
-41.11858306800002 Da