ACCESSION: MSBNK-Keio_Univ-KO003399
RECORD_TITLE: Mecamylamine; 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 M039

CH$NAME: Mecamylamine
CH$NAME: Versamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₁N
CH$EXACT_MASS: 167.16740
CH$SMILES: CNC(C)(C21)C(C)(C)C(CC2)C1
CH$IUPAC: InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3
CH$LINK: CAS 60-40-2
CH$LINK: KEGG C07511
CH$LINK: NIKKAJI J4.802J
CH$LINK: PUBCHEM SID:9714
CH$LINK: INCHIKEY IMYZQPCYWPFTAG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0023240

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$FOCUSED_ION: PRECURSOR_M/Z 168
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-9000000000-e4663d1da4e4bc059200
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  32.200 237624.0 4
  41.200 44554.5 1
  43.100 222772.5 4
  44.900 673268.0 12
  55.300 64356.5 1
  57.200 509901.5 9
  62.700 14851.5 1
  64.900 39604.0 1
  67.100 2405943.0 44
  69.100 881189.0 16
  71.200 376238.0 7
  73.200 34653.5 1
  79.100 2118814.0 39
  81.200 54306985.0 999
  82.200 113861.5 2
  86.000 44554.5 1
  88.700 99010.0 2
  89.000 252475.5 5
  90.900 148515.0 3
  93.000 202970.5 4
  95.200 8425751.0 155
  105.400 103960.5 2
  107.100 49505.0 1
  108.900 663367.0 12
  123.200 79208.0 1
  131.900 34653.5 1
  135.500 49505.0 1
  136.300 282178.5 5
  137.200 3787132.5 70
//