ACCESSION: MSBNK-Keio_Univ-KO002206
RECORD_TITLE: Anabasine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-00l6-9700000000-da18b65d767c78a091ff
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
  30.200 222772.5 4
  41.100 326733.0 6
  42.200 54455.5 1
  43.300 54455.5 1
  44.000 94059.5 2
  46.200 410891.5 7
  51.200 24752.5 1
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  56.300 1920794.0 33
  65.200 10539614.5 178
  66.200 207921.0 4
  67.100 2326735.0 39
  68.300 188119.0 3
  70.000 856436.5 14
  72.100 123762.5 2
  73.200 24752.5 1
  77.100 2059408.0 35
  78.000 2767329.5 47
  79.100 3960400.0 67
  80.200 50366387.0 853
  81.200 118812.0 2
  82.100 539604.5 9
  84.200 20079228.0 340
  87.200 9901.0 1
  89.100 391089.5 7
  90.000 2569309.5 43
  91.000 49574307.0 839
  91.900 47861434.0 810
  93.000 17178235.0 291
  94.100 12806943.5 217
  95.300 163366.5 3
  96.000 420792.5 7
  101.000 34653.5 1
  102.100 89109.0 2
  103.100 1603962.0 27
  104.200 722773.0 12
  105.000 1143565.5 19
  106.300 7425750.0 126
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  108.300 59406.0 1
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  121.000 29703.0 1
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  163.300 356436.0 6
//