ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009909
RECORD_TITLE: METHYL 2-ACETYLAMINO-3-PHENYLPROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2-ACETYLAMINO-3-PHENYLPROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₅NO₃
CH$EXACT_MASS: 221.10519
CH$SMILES: COC(=O)C(NC(C)=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,14)
CH$LINK: INCHIKEY IKGHIFGXPVLPFD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00874324

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03du-7900000000-1173782815fdd71983d2
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  28 15.3 153
  32 2 20
  33 3.3 33
  39 2 20
  43 36 360
  65 6.3 63
  77 3.3 33
  88 73 730
  89 3.7 37
  91 27 270
  92 4.8 48
  102 1.6 16
  103 5 50
  104 1 10
  117 1.8 18
  118 2.6 26
  119 2.7 27
  120 34 340
  121 3.4 34
  130 2 20
  131 22.8 228
  132 2.8 28
  161 10.3 103
  162 99.99 999
  163 11 110
  164 1 10
  221 1.8 18
//