ACCESSION: MSBNK-Keio_Univ-KO002779
RECORD_TITLE: Diethyl-2-phenylacetamide; 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 D122

CH$NAME: Diethyl-2-phenylacetamide
CH$NAME: DEPA
CH$NAME: N,N-Diethylphenylacetamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₇NO
CH$EXACT_MASS: 191.13101
CH$SMILES: CCN(CC)C(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C12H17NO/c1-3-13(4-2)12(14)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
CH$LINK: CAS 2431-96-1
CH$LINK: KEGG C10938
CH$LINK: NIKKAJI J80.484C
CH$LINK: PUBCHEM SID:13121
CH$LINK: INCHIKEY UXDAWVUDZLBBAM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00179048

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$FOCUSED_ION: PRECURSOR_M/Z 192
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-9000000000-3f209cd77a0444eec8d1
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  43.100 44554.5 2
  44.100 405941.0 17
  45.900 183168.5 8
  55.300 64356.5 3
  57.300 34653.5 1
  64.700 64356.5 3
  68.700 54455.5 2
  72.100 4425747.0 183
  73.900 2698022.5 112
  76.600 94059.5 4
  80.900 29703.0 1
  83.300 113861.5 5
  84.100 24752.5 1
  85.900 94059.5 4
  88.100 39604.0 2
  91.000 24103984.5 999
  93.400 64356.5 3
  99.800 405941.0 17
  100.500 89109.0 4
  102.900 39604.0 2
  105.400 202970.5 8
  116.900 74257.5 3
  118.300 103960.5 4
  119.300 113861.5 5
  131.100 29703.0 1
  141.900 108911.0 5
  164.000 44554.5 2
  192.100 54455.5 2
//