ACCESSION: MSBNK-Keio_Univ-KO003460
RECORD_TITLE: N-Methyl-N-propagylbenzylamine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-0006-9000000000-6271407e28e1fc55d1a5
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  39.100 44554.5 1
  41.000 163366.5 1
  43.100 99010.0 1
  43.800 158416.0 1
  51.100 59406.0 1
  52.900 19802.0 1
  55.100 257426.0 2
  56.200 514852.0 3
  56.900 44554.5 1
  58.500 19802.0 1
  62.900 292079.5 2
  65.100 15024767.5 95
  67.300 94059.5 1
  68.100 391089.5 2
  68.700 44554.5 1
  71.200 59406.0 1
  71.400 14851.5 1
  76.100 19802.0 1
  76.900 148515.0 1
  79.200 59406.0 1
  80.100 14851.5 1
  83.300 64356.5 1
  90.200 163366.5 1
  91.100 157524910.0 999
  95.400 9901.0 1
  103.300 49505.0 1
  104.900 9901.0 1
  115.300 74257.5 1
  116.400 99010.0 1
  119.900 64356.5 1
  126.900 84158.5 1
  127.300 108911.0 1
  128.000 504951.0 3
  128.500 34653.5 1
  129.600 24752.5 1
  130.300 89109.0 1
  143.300 34653.5 1
  144.400 99010.0 1
  144.900 49505.0 1
  169.200 14851.5 1
//