MassBank Record: JP000093



 N-ACETYL-PHENYLALANINE METHYLESTER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //