MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007622

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

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007622
RECORD_TITLE: N-ACETYLASPARTIC ACID DIETHYL 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$NAME: N-ACETYLASPARTIC ACID DIETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₇NO₅
CH$EXACT_MASS: 231.11067
CH$SMILES: CCOC(=O)CC([H])(NC(C)=O)C(=O)OCC
CH$IUPAC: InChI=1S/C10H17NO5/c1-4-15-9(13)6-8(11-7(3)12)10(14)16-5-2/h8H,4-6H2,1-3H3,(H,11,12)/t8-/m0/s1
CH$LINK: INCHIKEY XQGDGRNHLJLQOV-QMMMGPOBSA-N
CH$LINK: COMPTOX DTXSID40147807

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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$SPLASH: splash10-0aor-0900000000-848a8c171e8242360886
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  116 79.8 798
  117 3.5 35
  157 1.3 13
  158 99.99 999
  159 6.5 65
  185 1.1 11
  186 6.9 69
  188 0.21 2
  231 1.9 19
//