ACCESSION: MSBNK-Keio_Univ-KO002777
RECORD_TITLE: Diethyl-2-phenylacetamide; 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 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 20 V

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

PK$SPLASH: splash10-0006-2900000000-4d9c6ad71c6ddd203611
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  43.100 19802.0 1
  46.000 29703.0 1
  57.000 74257.5 1
  58.800 19802.0 1
  62.300 9901.0 1
  69.000 44554.5 1
  70.900 84158.5 1
  72.100 351485.5 6
  74.000 8782187.0 152
  78.400 44554.5 1
  83.300 64356.5 1
  84.200 19802.0 1
  85.200 69307.0 1
  88.300 39604.0 1
  91.000 5504956.0 95
  94.800 14851.5 1
  97.300 84158.5 1
  98.700 148515.0 3
  100.200 1272278.5 22
  101.100 356436.0 6
  105.000 54455.5 1
  106.800 24752.5 1
  111.100 292079.5 5
  113.200 44554.5 1
  115.200 168317.0 3
  119.100 79208.0 1
  122.200 64356.5 1
  129.100 24752.5 1
  132.300 39604.0 1
  138.900 49505.0 1
  142.000 59406.0 1
  143.300 297030.0 5
  147.200 49505.0 1
  155.900 24752.5 1
  157.300 193069.5 3
  164.000 103960.5 2
  174.300 89109.0 2
  175.200 1262377.5 22
  192.300 57653523.0 999
  219.300 14851.5 1
//