ACCESSION: MSBNK-EPA-ENTACT_AGILENT002243
RECORD_TITLE: Nicotine sulfate; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Nicotine sulfate
CH$NAME: DTXSID8021725
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄N₂
CH$EXACT_MASS: 162.1156984614
CH$SMILES: CN1CCCC1C1=CN=CC=C1
CH$IUPAC: InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
CH$LINK: CAS 65-30-5
CH$LINK: INCHIKEY SNICXCGAKADSCV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2735101

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 163.1229749131
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-2900000000-7f86777544d24cd5f897
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  42.033826 1.680683 16
  44.049476 6.379923 63
  65.038577 1.060512 10
  77.038577 2.492735 24
  80.049476 24.103361 240
  82.065126 1.138082 11
  84.080776 33.655303 336
  92.049476 2.356076 23
  103.054227 1.191057 11
  105.069877 2.066917 20
  106.065126 37.789987 377
  115.054227 5.882423 58
  117.057301 64.564595 645
  118.065126 1.192826 11
  120.080776 18.680539 186
  130.065126 99.999996 999
  131.072951 1.87033 18
  132.080776 73.173904 731
  163.122975 16.413476 163
//