ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005522
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-4900000000-a11cff9544d3304f6a5c
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  33 1.65 17
  43 15.77 158
  60 1.02 10
  88 56.69 567
  89 2.43 24
  91 21.65 217
  92 3.75 38
  102 2.14 21
  103 2.58 26
  104 1.61 16
  117 2.48 25
  118 2.63 26
  119 2.48 25
  120 28.22 282
  121 3.02 30
  130 2.87 29
  131 20.44 204
  132 2.34 23
  144 1.46 15
  161 12.21 122
  162 99.99 999
  163 11.54 115
  221 0.34 3
//