Spectrum CCMSLIB00005720169 for Nicotine

Rating: (*)★(*)★(*)★(*)★(*)☆

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/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
C10H14N2
162.115698448
N=1C=CC=C(C1)C2N(C)CCC2
SNICXCGAKADSCV-JTQLQIEISA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qTof
162.116
1
f.pilepoga/Alkalo ANGERS/Nicotine.mgf;
MS2
GNPS-LIBRARY
pilepoga, Le Pogam
positive
1.730931104659722
0.6748402652178596
163.122
[M+H]+
10.228221821552838 ppm
-0.001668447999975342 Da