MassBank Record: JP000094



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

ACCESSION: JP000094
RECORD_TITLE: N-ACETYL-GLUTAMIC 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$NAME: N-ACETYL-GLUTAMIC ACID DIETHYLESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H19NO5 CH$EXACT_MASS: 245.12632 CH$SMILES: CCOC(=O)CCC([H])(NC(C)=O)C(=O)OCC CH$IUPAC: InChI=1S/C11H19NO5/c1-4-16-10(14)7-6-9(12-8(3)13)11(15)17-5-2/h9H,4-7H2,1-3H3,(H,12,13)/t9-/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$SPLASH: splash10-001i-9400000000-fb913c97f7a617b7e812 PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 15 4.7 47 26 1.1 11 27 8.9 89 28 1.17 12 29 16.1 161 30 2.4 24 31 2.9 29 39 0.13 1 41 9.1 91 42 2.7 27 43 45.5 455 44 0.16 2 45 2.3 23 54 1.7 17 55 2.6 26 56 2.18 22 57 7.3 73 74 2.9 29 82 1 10 84 99.99 999 85 4.8 48 98 1.8 18 99 1.9 19 100 0.21 2 102 7 70 111 1.4 14 112 16.4 164 113 0.1 1 126 17 170 127 1.2 12 128 1.5 15 130 1.85 19 131 2.8 28 153 1.4 14 154 1.2 12 158 1.93 19 159 1.2 12 172 43.3 433 173 3.3 33 199 0.47 5 200 6.1 61 202 2.1 21 245 1 10 //