MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005522
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
//