ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007624
RECORD_TITLE: N-ACETYLGLUTAMIC ACID DIMETHYL 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$NAME: N-ACETYLGLUTAMIC ACID DIMETHYL ESTER
CH$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
CH$LINK: INCHIKEY KAUXXCKARJMDIG-SSDOTTSWSA-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 15 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0aor-2900000000-271f8224bd22e763e67c
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  31 0.72 7
  43 3.24 32
  55 2.58 26
  60 1.78 18
  84 34.98 350
  85 1.15 12
  88 6.5 65
  98 22.97 230
  99 1.93 19
  102 1.05 11
  111 1.39 14
  112 1 10
  114 1.46 15
  116 70.42 704
  117 3.25 33
  126 12.97 130
  127 0.99 10
  130 1.93 19
  131 1.52 15
  142 1.11 11
  143 1.49 15
  144 24.13 241
  145 1.19 12
  153 2.86 29
  158 99.99 999
  159 6.81 68
  172 3.28 33
  174 8.4 84
  175 1.45 15
  185 7.04 70
  186 3.81 38
  217 1.76 18
//