ACCESSION: MSBNK-EPA-ENTACT_AGILENT002244
RECORD_TITLE: Nicotine sulfate; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-03di-0900000000-a00710728e0e9f0cbbec
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  44.049476 1.303734 13
  80.049476 3.620181 36
  84.080776 8.386328 83
  106.065126 11.856595 118
  117.057301 4.550288 45
  120.080776 4.894471 48
  130.065126 15.409213 153
  132.080776 31.30261 312
  163.122975 100.000003 999
//