ACCESSION: MSBNK-Keio_Univ-KO002203
RECORD_TITLE: Anabasine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-03di-0900000000-3e2b987d9c72c41572d4
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  46.000 1405942.0 1
  53.800 34653.5 1
  55.100 287129.0 1
  59.100 485149.0 1
  70.600 29703.0 1
  71.100 34653.5 1
  71.900 108911.0 1
  73.000 1579209.5 1
  74.000 54455.5 1
  76.900 366337.0 1
  80.100 564357.0 1
  80.800 247525.0 1
  82.400 94059.5 1
  84.000 173267.5 1
  88.600 44554.5 1
  89.800 79208.0 1
  91.100 430693.5 1
  91.800 579208.5 1
  94.200 1009902.0 1
  99.100 836634.5 1
  100.200 39604.0 1
  103.000 34653.5 1
  104.100 34653.5 1
  104.400 44554.5 1
  106.300 49505.0 1
  107.100 99010.0 1
  108.300 54455.5 1
  109.200 29703.0 1
  113.100 188119.0 1
  114.400 529703.5 1
  116.900 509901.5 1
  118.000 4792084.0 4
  120.000 5391094.5 4
  122.100 59406.0 1
  127.300 54455.5 1
  128.000 594060.0 1
  128.500 99010.0 1
  130.100 450495.5 1
  131.000 881189.0 1
  133.900 1579209.5 1
  144.000 336634.0 1
  145.000 485149.0 1
  146.100 6297036.0 5
  163.300 1225956671.5 999
  164.400 64356.5 1
  181.000 113861.5 1
//