MassBank Record: JP000295



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

ACCESSION: JP000295
RECORD_TITLE: N-ACETYL-GLYCYL-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$NAME: N-ACETYL-GLYCYL-GLYCYL-GLYCINE METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H15N3O5 CH$EXACT_MASS: 245.10117 CH$SMILES: COC(=O)CNC(=O)CNC(=O)CNC(C)=O CH$IUPAC: InChI=1S/C9H15N3O5/c1-6(13)10-3-7(14)11-4-8(15)12-5-9(16)17-2/h3-5H2,1-2H3,(H,10,13)(H,11,14)(H,12,15)
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$SPLASH: splash10-0089-9300000000-e1fbf8a0f08ad24bbc28 PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 14 1.2 12 15 10.8 108 27 1.5 15 28 2.02 20 29 4.6 46 30 99.99 999 31 6.5 65 32 0.17 2 41 1.8 18 42 6.1 61 43 29.2 292 44 0.85 9 45 5.7 57 55 1.7 17 56 9.9 99 57 0.18 2 58 2.6 26 59 2.9 29 60 3.8 38 71 0.49 5 72 29.6 296 73 31.7 317 74 2.3 23 85 0.47 5 87 1.7 17 88 6.7 67 89 1.3 13 90 0.65 7 99 1.9 19 100 40.5 405 101 2.4 24 103 0.16 2 113 9.3 93 114 2.2 22 115 1.4 14 129 0.6 6 130 27.3 273 131 5.9 59 141 4.2 42 146 0.25 3 147 1.8 18 149 1.1 11 156 1.3 13 157 1.24 12 158 1.1 11 173 11.8 118 174 1.1 11 186 0.17 2 213 2.1 21 245 4.1 41 246 1.1 11 //