ACCESSION: MSBNK-Keio_Univ-KO002205
RECORD_TITLE: Anabasine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-00l6-7900000000-e6bcf02e1205950963c4
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  30.100 198020.0 2
  41.100 168317.0 2
  42.100 19802.0 1
  43.100 24752.5 1
  43.800 69307.0 1
  46.100 866337.5 9
  54.000 54455.5 1
  55.200 108911.0 1
  56.200 574258.0 6
  58.100 34653.5 1
  65.200 1133664.5 12
  67.000 1277229.0 13
  68.400 173267.5 2
  69.800 1980200.0 20
  71.900 618812.5 6
  73.900 99010.0 1
  76.900 504951.0 5
  78.100 504951.0 5
  79.200 1202971.5 12
  80.000 65287194.0 665
  80.900 133663.5 1
  82.100 3000003.0 31
  84.200 24460420.5 249
  85.300 19802.0 1
  86.100 54455.5 1
  90.000 143564.5 1
  91.200 19029722.0 194
  92.100 98009999.0 999
  93.100 9693079.0 99
  94.100 54990154.0 561
  94.900 113861.5 1
  96.100 267327.0 3
  96.400 64356.5 1
  100.000 74257.5 1
  100.900 29703.0 1
  101.400 24752.5 1
  103.200 1292080.5 13
  104.100 267327.0 3
  104.900 1009902.0 10
  106.000 5202975.5 53
  107.000 1702972.0 17
  108.200 495050.0 5
  109.000 54455.5 1
  110.500 579208.5 6
  114.000 242574.5 2
  115.300 361386.5 4
  116.000 74257.5 1
  117.200 50618862.5 516
  118.200 97945642.5 998
  119.100 2643567.0 27
  120.200 46326779.0 472
  121.300 178218.0 2
  127.300 326733.0 3
  128.200 1727724.5 18
  129.000 3613865.0 37
  130.100 29346564.0 299
  131.000 25257451.0 257
  132.200 2356438.0 24
  133.100 594060.0 6
  134.100 16237640.0 166
  135.200 183168.5 2
  136.300 99010.0 1
  141.900 94059.5 1
  143.100 262376.5 3
  144.200 10188129.0 104
  145.200 569307.5 6
  146.100 29638643.5 302
  147.800 39604.0 1
  160.800 99010.0 1
  163.200 27173294.5 277
  170.500 24752.5 1
//