ACCESSION: MSBNK-Keio_Univ-KO002780
RECORD_TITLE: Diethyl-2-phenylacetamide; 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 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 50 V

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

PK$SPLASH: splash10-0006-9000000000-e154c22821fd0056a97c
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  41.100 29703.0 3
  44.000 435644.0 39
  46.000 74257.5 7
  55.200 24752.5 2
  63.000 34653.5 3
  65.100 648515.5 59
  72.200 995050.5 90
  74.100 301980.5 27
  76.600 34653.5 3
  77.100 217822.0 20
  78.400 54455.5 5
  80.600 19802.0 2
  83.300 34653.5 3
  85.500 14851.5 1
  91.100 11069318.0 999
  102.300 14851.5 1
  117.200 59406.0 5
  128.600 24752.5 2
  141.400 64356.5 6
//