ACCESSION: MSBNK-Keio_Univ-KO003457
RECORD_TITLE: N-Methyl-N-propagylbenzylamine; 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 M071

CH$NAME: N-Methyl-N-propagylbenzylamine
CH$NAME: Pargyline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₃N
CH$EXACT_MASS: 159.10480
CH$SMILES: C#CCN(C)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
CH$LINK: CAS 555-57-7
CH$LINK: KEGG C07414
CH$LINK: NIKKAJI J6.471H
CH$LINK: PUBCHEM SID:9618
CH$LINK: INCHIKEY DPWPWRLQFGFJFI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3023423

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$FOCUSED_ION: PRECURSOR_M/Z 160
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-1900000000-23c7df4b4c62d2dce32a
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  49.900 103960.5 1
  56.200 282178.5 1
  64.300 94059.5 1
  68.200 2069309.0 6
  69.300 29703.0 1
  71.200 54455.5 1
  72.900 39604.0 1
  75.700 69307.0 1
  78.100 2594062.0 7
  82.200 118812.0 1
  83.400 153465.5 1
  85.200 89109.0 1
  88.200 14851.5 1
  90.900 46133709.5 127
  97.300 123762.5 1
  98.300 158416.0 1
  100.000 178218.0 1
  100.400 54455.5 1
  102.200 103960.5 1
  106.000 44554.5 1
  106.900 148515.0 1
  108.300 24752.5 1
  110.200 89109.0 1
  111.300 89109.0 1
  114.300 34653.5 1
  117.300 168317.0 1
  117.800 84158.5 1
  118.600 34653.5 1
  119.900 257426.0 1
  124.000 163366.5 1
  125.200 1000001.0 3
  128.300 232673.5 1
  129.100 4519806.5 12
  129.900 44554.5 1
  131.000 1004951.5 3
  131.600 79208.0 1
  140.400 44554.5 1
  142.100 257426.0 1
  143.300 8396048.0 23
  144.000 39604.0 1
  145.100 346535.0 1
  158.300 94059.5 1
  160.200 364178582.0 999
//