ACCESSION: MSBNK-Waters-WA001096
RECORD_TITLE: (-)-Nicotine; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Nicotine
CH$NAME: (-)-Nicotine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄N₂
CH$EXACT_MASS: 162.11570
CH$SMILES: CN(C2)C(CC2)c(c1)cncc1
CH$IUPAC: InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
CH$LINK: CAS 54-11-5
CH$LINK: INCHIKEY SNICXCGAKADSCV-JTQLQIEISA-N
CH$LINK: COMPTOX DTXSID1020930

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 2.520 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0159-8900000000-570f8689b50593e48aab
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  77 325 325
  78 208 208
  79 110 110
  80 306 306
  81 20 20
  82 43 43
  84 67 67
  89 204 204
  90 533 533
  91 102 102
  92 82 82
  93 102 102
  94 20 20
  95 98 98
  96 51 51
  103 184 184
  104 24 24
  105 24 24
  106 176 176
  107 12 12
  115 51 51
  116 16 16
  117 999 999
  118 157 157
  119 12 12
  120 35 35
  128 24 24
  130 513 513
  131 59 59
  132 12 12
//