ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010805
RECORD_TITLE: ACETOACETAILIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: ACETOACETAILIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₁NO₂
CH$EXACT_MASS: 177.07898
CH$SMILES: CC(=O)CC(=O)Nc(c1)cccc1
CH$IUPAC: InChI=1S/C10H11NO2/c1-8(12)7-10(13)11-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)
CH$LINK: INCHIKEY DYRDKSSFIWVSNM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0024397

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0006-9200000000-c738b03d587728704826
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  42 1.4 14
  43 26.43 264
  44 1.56 16
  51 2.95 30
  52 1.02 10
  58 7.52 75
  63 1.6 16
  64 1.88 19
  65 7.09 71
  66 6.5 65
  69 1.63 16
  77 4.36 44
  84 1.34 13
  85 2.55 26
  91 2.27 23
  92 3.97 40
  93 99.99 999
  94 7.46 75
  119 8.6 86
  120 1.28 13
  134 1.25 13
  177 29.06 291
  178 3.31 33
//