ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007626
RECORD_TITLE: N-ACETYLPHENYLALANINE METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: N-ACETYLPHENYLALANINE METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₅NO₃
CH$EXACT_MASS: 221.10519
CH$SMILES: COC(=O)C([H])(NC(C)=O)Cc(c1)cccc1
CH$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)/t11-/m1/s1
CH$LINK: INCHIKEY IKGHIFGXPVLPFD-LLVKDONJSA-N

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 15 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-2900000000-41ec9a8e507f87e2c0b2
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  43 3.11 31
  88 25.58 256
  91 10.54 105
  92 2.02 20
  102 1.61 16
  117 1.79 18
  119 1.5 15
  120 11.06 111
  121 1.04 10
  130 2.25 23
  131 9.68 97
  161 8.01 80
  162 99.99 999
  163 11.58 116
  221 0.4 4
//