ACCESSION: MSBNK-Keio_Univ-KO003458
RECORD_TITLE: N-Methyl-N-propagylbenzylamine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0006-9000000000-3b1f68acf7d86b277194
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  41.900 54455.5 1
  43.100 59406.0 1
  43.800 415842.0 1
  49.800 49505.0 1
  55.000 54455.5 1
  56.000 1935645.5 6
  60.300 19802.0 1
  67.200 108911.0 1
  67.900 4915846.5 16
  69.300 232673.5 1
  71.100 227723.0 1
  73.200 94059.5 1
  76.200 79208.0 1
  78.100 19802.0 1
  79.100 59406.0 1
  80.100 34653.5 1
  80.900 103960.5 1
  81.900 297030.0 1
  83.300 400990.5 1
  84.900 351485.5 1
  89.400 34653.5 1
  91.000 313049818.0 999
  93.100 29703.0 1
  97.100 955446.5 3
  98.100 103960.5 1
  99.900 89109.0 1
  101.300 24752.5 1
  102.500 24752.5 1
  103.300 69307.0 1
  104.700 79208.0 1
  105.300 148515.0 1
  106.900 405941.0 1
  114.000 34653.5 1
  115.300 74257.5 1
  117.100 361386.5 1
  118.000 242574.5 1
  119.000 54455.5 1
  120.000 326733.0 1
  124.000 49505.0 1
  125.200 668317.5 2
  127.100 183168.5 1
  127.900 1084159.5 3
  129.200 5960402.0 19
  130.200 128713.0 1
  131.000 1321783.5 4
  131.800 133663.5 1
  140.200 49505.0 1
  142.000 123762.5 1
  143.200 811882.0 3
  144.100 321782.5 1
  145.200 668317.5 2
  157.800 74257.5 1
  160.300 11945556.5 38
  167.000 19802.0 1
//