ACCESSION: MSBNK-EPA-ENTACT_AGILENT002245
RECORD_TITLE: Nicotine sulfate; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-00lr-9700000000-66a7869c1f3282d92747
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  39.022927 2.597585 25
  41.038577 1.644602 16
  42.033826 18.185342 181
  44.049476 10.219003 102
  51.022927 6.083204 60
  53.038577 6.353252 63
  54.033826 1.454034 14
  65.038577 11.901683 118
  67.041651 1.903297 19
  77.038577 31.040513 310
  78.033826 16.958247 169
  79.041651 1.81925 18
  79.054227 5.03924 50
  80.049476 29.675116 296
  82.065126 4.468997 44
  84.080776 29.12547 290
  89.038577 14.00289 139
  90.046402 30.598108 305
  91.054227 4.738106 47
  92.049476 11.428564 114
  93.057301 5.286983 52
  103.054227 16.725405 167
  104.049476 1.156698 11
  106.065126 12.847586 128
  115.054227 4.010277 40
  116.049476 1.732769 17
  117.057301 99.999996 999
  118.065126 3.837048 38
  120.080776 2.16117 21
  128.049476 3.09544 30
  130.065126 51.787373 517
  131.072951 1.582884 15
//