Spectrum WA001097 for Nicotine

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

Mass Spectral Metadata

NameValue
WA001097
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
CC BY-NC
162.1157
ZQ, Waters
LC-ESI-Q
MS1
ESI
2.520 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
60 V
ignore rel.int. < 5
positive
2.530435851030982
0.7514741735777775