MassBank Record: JP000095



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

ACCESSION: JP000095
RECORD_TITLE: N-ACETYL-ASPARTIC ACID DIETHYLESTER; 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$NAME: N-ACETYL-ASPARTIC ACID DIETHYLESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H17NO5 CH$EXACT_MASS: 231.11067 CH$SMILES: CCOC(=O)CC([H])(NC(C)=O)C(=O)OCC CH$IUPAC: InChI=1S/C10H17NO5/c1-4-15-9(13)6-8(11-7(3)12)10(14)16-5-2/h8H,4-6H2,1-3H3,(H,11,12)/t8-/m0/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$SPLASH: splash10-066r-4900000000-282f05fbc89b8e675249 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 15 4.2 42 27 6.7 67 28 8.8 88 29 1.58 16 30 2.2 22 32 1.6 16 41 1.4 14 42 0.44 4 43 37.4 374 44 5.9 59 55 1.1 11 60 0.17 2 70 11.6 116 74 5.6 56 85 1.1 11 88 0.32 3 99 2.3 23 102 3.5 35 116 99.99 999 117 0.46 5 158 58.1 581 159 3.5 35 186 5.6 56 188 0.1 1 231 1.3 13 //