MassBank Record: JP010805

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ACETOACETAILIDE; EI-B; MS

Mass Spectrum
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ACCESSION: 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: 177.078980000000001382431946694850921630859375
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$LINK: COMPTOX DTXSID0024397
CH$LINK: INCHIKEY DYRDKSSFIWVSNM-UHFFFAOYSA-N

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
//