MassBank Record: JP000097



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

ACCESSION: JP000097
RECORD_TITLE: N-ACETYL-ASPARTIC ACID DIMETHYLESTER; 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$NAME: N-ACETYL-ASPARTIC ACID DIMETHYLESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H13NO5 CH$EXACT_MASS: 203.07937 CH$SMILES: COC(=O)CC([H])(NC(C)=O)C(=O)OC CH$IUPAC: InChI=1S/C8H13NO5/c1-5(10)9-6(8(12)14-3)4-7(11)13-2/h6H,4H2,1-3H3,(H,9,10)/t6-/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$SPLASH: splash10-0f6x-6900000000-003ae492a0f6ef4ed7cd PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 15 16.5 165 27 2 20 28 7.6 76 29 0.14 1 31 1.2 12 33 1.8 18 41 2.4 24 42 0.61 6 43 56.8 568 44 1.3 13 55 2.3 23 59 0.52 5 60 13.5 135 70 19.2 192 74 2.9 29 86 0.17 2 88 7.3 73 100 1 10 101 1.2 12 102 99.99 999 103 3.8 38 113 4.2 42 144 61.5 615 145 0.31 3 160 2.1 21 172 2.7 27 203 1.2 12 //