MassBank Record: JP000293



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

ACCESSION: JP000293
RECORD_TITLE: N-ACETYL-GLYCYL-GLYCINE METHYL ESTER; 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$NAME: N-ACETYL-GLYCYL-GLYCINE METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H12N2O4 CH$EXACT_MASS: 188.07971 CH$SMILES: COC(=O)CNC(=O)CNC(C)=O CH$IUPAC: InChI=1S/C7H12N2O4/c1-5(10)8-3-6(11)9-4-7(12)13-2/h3-4H2,1-2H3,(H,8,10)(H,9,11)
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$SPLASH: splash10-001i-9100000000-c51e30657fc24ed7bdd4 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 15 12.4 124 28 10.2 102 29 3.7 37 30 99.99 999 31 11.6 116 32 1.6 16 42 4.9 49 43 3.56 36 44 3.1 31 45 8.5 85 56 6.7 67 57 0.15 2 58 3.1 31 59 1.7 17 72 23.5 235 73 7.93 79 74 3.4 34 85 1.7 17 88 5.7 57 90 0.32 3 100 18.8 188 101 1.1 11 129 2.8 28 158 0.11 1 188 1 10 189 1 10 //