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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005256

N-ACETYL-L-GLUTAMIC ACID DIMETHYL ESTER; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005256
RECORD_TITLE: N-ACETYL-L-GLUTAMIC ACID DIMETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: N-ACETYL-L-GLUTAMIC ACID DIMETHYL ESTER
CH$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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05o3-9400000000-68072aab299e6d591452
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 17.2 172
  29 7.5 75
  31 6.2 62
  41 1.89 19
  43 65.2 652
  56 40.1 401
  57 13.1 131
  70 0.25 3
  71 3 30
  84 99.99 999
  88 16.7 167
  98 2.03 20
  99 6.4 64
  114 4.4 44
  116 60.2 602
  126 1.5 15
  127 2 20
  144 20.3 203
  145 2.6 26
  149 0.34 3
  158 37 370
  167 1.1 11
  174 3.9 39
  185 0.41 4
  217 0.5 5
//

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