MassBank Record: JP004295

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N,N-DIMETHYL ACETOACETAMIDE; EI-B; MS

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

ACCESSION: JP004295
RECORD_TITLE: N,N-DIMETHYL ACETOACETAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: N,N-DIMETHYL ACETOACETAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H11NO2
CH$EXACT_MASS: 129.078980000000001382431946694850921630859375
CH$SMILES: CC(=O)CC(=O)N(C)C
CH$IUPAC: InChI=1S/C6H11NO2/c1-5(8)4-6(9)7(2)3/h4H2,1-3H3
CH$LINK: COMPTOX DTXSID8027454
CH$LINK: INCHIKEY YPEWWOUWRRQBAX-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9000000000-824bb71f6f2bf65b4826
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  14 3.39 34
  15 21.47 215
  18 16.21 162
  26 4.29 43
  27 7.01 70
  28 16.61 166
  29 3.39 34
  30 4.41 44
  39 3.62 36
  40 3.62 36
  41 6.67 67
  42 20.56 206
  43 83.16 832
  44 99.99 999
  45 56.5 565
  46 3.95 40
  58 19.44 194
  69 13.67 137
  72 7.8 78
  84 13.56 136
  85 3.62 36
  86 2.15 22
  87 4.41 44
  101 1.13 11
  112 2.71 27
  129 5.2 52
//