ACCESSION: MSBNK-Keio_Univ-KO002778
RECORD_TITLE: Diethyl-2-phenylacetamide; 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 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 30 V

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

PK$SPLASH: splash10-0006-9100000000-9d09f245dc46c5d0e26d
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  44.000 34653.5 1
  45.100 39604.0 1
  46.000 128713.0 5
  55.000 49505.0 2
  57.800 19802.0 1
  67.800 24752.5 1
  72.100 4693074.0 171
  74.000 10386149.0 379
  77.300 29703.0 1
  83.100 118812.0 4
  86.000 54455.5 2
  87.600 59406.0 2
  91.000 27341611.5 999
  93.100 217822.0 8
  97.400 34653.5 1
  99.000 94059.5 3
  100.100 3717825.5 136
  101.100 158416.0 6
  101.400 9901.0 1
  105.100 217822.0 8
  111.000 74257.5 3
  113.200 14851.5 1
  115.300 118812.0 4
  117.300 99010.0 4
  118.000 237624.0 9
  118.900 341584.5 12
  120.200 14851.5 1
  124.000 14851.5 1
  131.300 24752.5 1
  132.700 19802.0 1
  142.200 207921.0 8
  146.000 34653.5 1
  150.000 19802.0 1
  157.400 242574.5 9
  164.400 128713.0 5
  175.100 138614.0 5
  192.500 3638617.5 133
//