MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007623

N-ACETYLASPARTIC ACID DIMETHYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007623
RECORD_TITLE: N-ACETYLASPARTIC 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

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CH$NAME: N-ACETYLASPARTIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₃NO₅
CH$EXACT_MASS: 203.07937
CH$SMILES: COC(=O)CC([H])(NC(C)=O)C(=O)OC
CH$IUPAC: InChI=1S/C8H13NO5/c1-5(10)9-6(8(12)14-3)4-7(11)13-2/h6H,4H2,1-3H3,(H,9,10)/t6-/m0/s1
CH$LINK: INCHIKEY VRPXVQSXUIFMKQ-LURJTMIESA-N
CH$LINK: COMPTOX DTXSID30550467

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0f6x-0900000000-91087c3ddbaa7320b16c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  43 1.56 16
  70 2.16 22
  88 1.85 19
  101 6.68 67
  102 83.2 832
  103 2.75 28
  143 1.06 11
  144 99.99 999
  145 4.96 50
  160 3.46 35
  161 0.92 9
  171 1.01 10
  172 2.78 28
  203 1.35 14
//