MassBank Record: JP000096



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

ACCESSION: JP000096
RECORD_TITLE: N-ACETYL-GLUTAMIC 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$NAME: N-ACETYL-GLUTAMIC ACID DIMETHYLESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H15NO5 CH$EXACT_MASS: 217.09502 CH$SMILES: COC(=O)CCC([H])(NC(C)=O)C(=O)OC CH$IUPAC: InChI=1S/C9H15NO5/c1-6(11)10-7(9(13)15-3)4-5-8(12)14-2/h7H,4-5H2,1-3H3,(H,10,11)/t7-/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$SPLASH: splash10-00l6-9400000000-2983b1ebe15e248f1a2e PK$NUM_PEAK: 50 PK$PEAK: m/z int. rel.int. 15 16 160 27 4.4 44 28 14.9 149 29 0.3 3 30 3 30 31 2.5 25 33 3.4 34 39 0.22 2 41 11.2 112 42 4.9 49 43 73.7 737 44 0.18 2 45 1.2 12 54 3.5 35 55 4.6 46 56 3.75 38 57 7.6 76 59 5.2 52 60 2.7 27 74 0.12 1 82 3.9 39 83 1 10 84 99.99 999 85 0.49 5 88 17.5 175 89 1 10 98 19.5 195 100 0.21 2 102 2 20 111 2.1 21 112 1.3 13 114 0.36 4 116 83.6 836 117 3.9 39 126 8.5 85 127 0.11 1 130 2.3 23 131 1.1 11 142 1.9 19 143 0.11 1 144 30.8 308 145 1.5 15 153 1.8 18 158 6.5 65 159 4.2 42 172 1.9 19 174 5 50 185 0.44 4 186 3.6 36 217 1.5 15 //