MassBank Record: JP000087



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

ACCESSION: JP000087
RECORD_TITLE: N-ACETYL-ALANINE 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$NAME: N-ACETYL-ALANINE METHYLESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H11NO3 CH$EXACT_MASS: 145.07389 CH$SMILES: COC(=O)C([H])(C)NC(C)=O CH$IUPAC: InChI=1S/C6H11NO3/c1-4(6(9)10-3)7-5(2)8/h4H,1-3H3,(H,7,8)/t4-/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$SPLASH: splash10-0006-9000000000-df3a8de10fd3021cd5ec PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 14 1.5 15 15 26.3 263 26 1.3 13 27 0.35 4 28 10.2 102 29 2.3 23 30 1.1 11 31 0.2 2 33 1.7 17 41 1.9 19 42 11.2 112 43 2.88 29 44 99.99 999 45 2.3 23 55 1.2 12 59 0.21 2 70 1.2 12 86 11.2 112 87 1.6 16 88 0.39 4 102 1.4 14 145 2.8 28 //