ACCESSION: MSBNK-Keio_Univ-KO003459
RECORD_TITLE: N-Methyl-N-propagylbenzylamine; 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 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 30 V

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

PK$SPLASH: splash10-0006-9000000000-bc675bae86e11cbc3f46
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  39.000 29703.0 1
  41.200 84158.5 1
  42.300 79208.0 1
  42.800 133663.5 1
  43.900 292079.5 1
  55.000 366337.0 1
  56.200 1173268.5 4
  59.200 128713.0 1
  65.100 1410892.5 5
  67.200 173267.5 1
  68.000 1747526.5 7
  69.200 188119.0 1
  70.000 19802.0 1
  71.000 173267.5 1
  73.100 59406.0 1
  74.300 19802.0 1
  76.300 34653.5 1
  76.900 19802.0 1
  79.000 94059.5 1
  80.900 89109.0 1
  82.100 34653.5 1
  83.000 297030.0 1
  85.200 128713.0 1
  90.200 237624.0 1
  91.000 265841850.0 999
  92.400 24752.5 1
  95.100 24752.5 1
  97.300 247525.0 1
  97.900 39604.0 1
  101.000 19802.0 1
  103.100 84158.5 1
  105.100 49505.0 1
  106.900 79208.0 1
  111.600 29703.0 1
  115.200 54455.5 1
  116.100 99010.0 1
  117.300 202970.5 1
  119.000 29703.0 1
  120.200 59406.0 1
  120.400 24752.5 1
  125.000 44554.5 1
  127.100 316832.0 1
  128.000 1405942.0 5
  129.000 500000.5 2
  129.800 148515.0 1
  130.400 44554.5 1
  140.200 34653.5 1
  141.400 29703.0 1
  142.300 29703.0 1
  143.000 99010.0 1
  144.100 391089.5 1
  145.300 168317.0 1
  154.800 19802.0 1
//