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MassBank Record: JP011309

N,N-DIMETHYLACETOACETAMIDE; EI-B; MS

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

ACCESSION: JP011309
RECORD_TITLE: N,N-DIMETHYLACETOACETAMIDE; 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$NAME: N,N-DIMETHYLACETOACETAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H11NO2
CH$EXACT_MASS: 129.07898
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$LINK: INCHIKEY YPEWWOUWRRQBAX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8027454

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-0006-9100000000-69468d943f9c9f10bf3b
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  14 1.74 17
  15 15.33 153
  18 3.81 38
  26 1.7 17
  27 6.14 61
  28 8.05 81
  29 2.7 27
  30 7.6 76
  31 2.25 23
  38 1.31 13
  39 4.31 43
  40 2.37 24
  41 5.32 53
  42 35.1 351
  43 67.41 674
  44 99.99 999
  45 57.91 579
  46 10.59 106
  55 3.61 36
  56 3.89 39
  57 1.64 16
  58 10.39 104
  69 7.67 77
  70 1.03 10
  72 50.82 508
  73 2.13 21
  85 20.56 206
  86 10.09 101
  87 10.11 101
  101 5.91 59
  112 4.78 48
  114 7.38 74
  129 63.93 639
  130 6.35 64
//

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