Spectrum KO002203 for Anabasine

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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/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2/t10-/m0/s1
MTXSIJUGVMTTMU-JTQLQIEISA-N
C10H14N2
162.115698448
N=1C=CC=C(C1)C2NCCCC2

Mass Spectral Metadata

NameValue
KO002203
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID A068
162.1157
API3000, Applied Biosystems
LC-ESI-QQ
MS2
10 V
positive
0.18502523408610808
0.04832660333657213
163
[M+H]+
758.7021349692603 ppm
-0.12366844799998944 Da