MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007626
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
//
system version 2.2.8-SNAPSHOT