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)
CH$LINK: INCHIKEY JSBPKTULFDBSFS-UHFFFAOYSA-N

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
//