ACCESSION: MSBNK-Keio_Univ-KO003397
RECORD_TITLE: Mecamylamine; 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 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 10 V

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

PK$SPLASH: splash10-014i-0900000000-d1e9fe76d5bc86bef4e9
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  32.100 59406.0 1
  50.000 574258.0 6
  67.800 173267.5 2
  73.600 54455.5 1
  75.900 39604.0 1
  77.800 138614.0 1
  81.100 950496.0 9
  82.300 400990.5 4
  89.200 405941.0 4
  90.800 49505.0 1
  95.300 94059.5 1
  101.200 34653.5 1
  104.900 24752.5 1
  107.800 34653.5 1
  109.000 212871.5 2
  114.300 14851.5 1
  115.000 19802.0 1
  119.200 311881.5 3
  123.000 34653.5 1
  132.900 297030.0 3
  135.700 886139.5 9
  137.200 18361404.5 177
  150.200 787129.5 8
  151.400 9183177.5 88
  168.300 103722876.0 999
//