ACCESSION: MSBNK-Keio_Univ-KO003461
RECORD_TITLE: N-Methyl-N-propagylbenzylamine; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-00kf-9000000000-845489f9fa893fc89498
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  39.200 138614.0 4
  41.000 490099.5 13
  43.000 79208.0 2
  51.100 188119.0 5
  54.400 34653.5 1
  55.200 64356.5 2
  55.900 108911.0 3
  58.400 19802.0 1
  63.100 1188120.0 31
  65.200 20891110.0 545
  67.900 74257.5 2
  89.200 99010.0 3
  90.400 183168.5 5
  91.100 38262414.5 999
  102.100 34653.5 1
  115.200 49505.0 1
  118.700 14851.5 1
  127.900 79208.0 2
//