ACCESSION: MSBNK-Keio_Univ-KO002204
RECORD_TITLE: Anabasine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A068

CH$NAME: Anabasine
CH$NAME: (-)-Anabasine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄N₂
CH$EXACT_MASS: 162.11570
CH$SMILES: C(C2)CNC(C2)c(c1)cncc1
CH$IUPAC: InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2/t10-/m0/s1
CH$LINK: CAS 494-52-0
CH$LINK: KEGG C11357
CH$LINK: NIKKAJI J3.284K
CH$LINK: PUBCHEM SID:13532
CH$LINK: INCHIKEY MTXSIJUGVMTTMU-JTQLQIEISA-N
CH$LINK: COMPTOX DTXSID9041607

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 163
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-1900000000-6127c0c983559750b847
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  40.600 118812.0 1
  46.000 1079209.0 2
  55.300 217822.0 1
  56.300 74257.5 1
  57.300 29703.0 1
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  72.200 1108912.0 2
  73.800 168317.0 1
  74.300 24752.5 1
  79.200 158416.0 1
  80.000 35054490.5 72
  81.200 143564.5 1
  82.200 4737628.5 10
  84.200 9564366.0 20
  85.300 19802.0 1
  85.900 19802.0 1
  87.200 19802.0 1
  88.900 29703.0 1
  90.900 990100.0 2
  91.900 33099043.0 68
  94.100 41772319.0 86
  95.200 29703.0 1
  96.100 247525.0 1
  99.900 232673.5 1
  102.100 39604.0 1
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  105.100 143564.5 1
  105.900 1074258.5 2
  107.000 153465.5 1
  108.200 1128714.0 2
  109.900 133663.5 1
  113.300 59406.0 1
  114.400 400990.5 1
  117.200 8945553.5 18
  118.000 34673302.0 71
  119.300 509901.5 1
  120.200 73420865.5 150
  121.100 128713.0 1
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  130.000 3554459.0 7
  131.200 8163374.5 17
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  145.200 202970.5 1
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  161.600 99010.0 1
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  163.200 488025240.5 999
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  180.900 29703.0 1
//