ACCESSION: MSBNK-Keio_Univ-KO002776
RECORD_TITLE: Diethyl-2-phenylacetamide; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0006-0900000000-9d694b7750da7dd40791
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  63.100 39604.0 1
  71.100 44554.5 1
  73.900 84158.5 1
  78.200 331683.5 3
  82.800 24752.5 1
  91.100 99010.0 1
  96.700 19802.0 1
  98.600 113861.5 1
  101.100 202970.5 2
  101.400 44554.5 1
  102.100 34653.5 1
  110.300 64356.5 1
  113.400 74257.5 1
  114.900 89109.0 1
  117.000 113861.5 1
  118.900 103960.5 1
  123.900 29703.0 1
  125.900 49505.0 1
  129.900 29703.0 1
  131.500 49505.0 1
  131.900 133663.5 1
  139.200 79208.0 1
  142.200 69307.0 1
  143.100 292079.5 2
  152.800 19802.0 1
  157.300 282178.5 2
  160.200 59406.0 1
  174.000 638614.5 5
  175.300 5009906.0 39
  192.400 127128840.0 999
//