MassBank Record: JP000097

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N-ACETYL-ASPARTIC ACID DIMETHYLESTER; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP000097
RECORD_TITLE: N-ACETYL-ASPARTIC ACID DIMETHYLESTER; 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$NAME: N-ACETYL-ASPARTIC ACID DIMETHYLESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H13NO5
CH$EXACT_MASS: 203.079370000000011486918083392083644866943359375
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$LINK: COMPTOX DTXSID30550467
CH$LINK: INCHIKEY VRPXVQSXUIFMKQ-LURJTMIESA-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$SPLASH: splash10-0f6x-6900000000-003ae492a0f6ef4ed7cd
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 16.5 165
  27 2 20
  28 7.6 76
  29 0.14 1
  31 1.2 12
  33 1.8 18
  41 2.4 24
  42 0.61 6
  43 56.8 568
  44 1.3 13
  55 2.3 23
  59 0.52 5
  60 13.5 135
  70 19.2 192
  74 2.9 29
  86 0.17 2
  88 7.3 73
  100 1 10
  101 1.2 12
  102 99.99 999
  103 3.8 38
  113 4.2 42
  144 61.5 615
  145 0.31 3
  160 2.1 21
  172 2.7 27
  203 1.2 12
//