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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000093

N-ACETYL-PHENYLALANINE METHYLESTER; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000093
RECORD_TITLE: N-ACETYL-PHENYLALANINE METHYLESTER; 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$NAME: N-ACETYL-PHENYLALANINE METHYLESTER
CH$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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01p6-9600000000-3711e43a6f489dd5037b
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  15 13.98 140
  27 1.94 19
  28 13.19 132
  29 1.29 13
  31 1.51 15
  33 10.32 103
  39 7.96 80
  41 3.08 31
  42 3.66 37
  43 72.76 728
  44 2.01 20
  50 2.01 20
  51 6.45 65
  52 1.72 17
  59 2.37 24
  60 3.23 32
  63 3.8 38
  64 1.15 12
  65 16.13 161
  66 1 10
  77 9.25 93
  78 2.94 29
  88 96.06 961
  89 7.31 73
  90 2.8 28
  91 57.35 574
  92 10.75 108
  93 2.44 24
  102 3.73 37
  103 11.83 118
  104 3.8 38
  117 4.09 41
  118 5.66 57
  119 5.45 55
  120 53.05 531
  121 5.81 58
  130 3.3 33
  131 32.62 326
  132 3.8 38
  144 1.43 14
  161 13.05 131
  162 99.99 999
  163 11.54 115
  221 0.43 4
//

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