ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010831
RECORD_TITLE: ACETOACETANILIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: ACETOACETANILIDE
CH$NAME: N-PHENYLACETOACETAMIDE
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$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0006-9000000000-410c72c2eb11b5c733be
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  15 4.34 43
  26 2.1 21
  27 4.09 41
  29 1.4 14
  37 1.31 13
  38 3.05 31
  39 11.54 115
  40 2.21 22
  41 2.28 23
  42 6.76 68
  43 33.23 332
  50 2.4 24
  51 4.59 46
  52 2.63 26
  54 1.25 13
  58 7.23 72
  62 1.27 13
  63 3.83 38
  64 3.94 39
  65 14.37 144
  66 11.78 118
  67 1.66 17
  69 3.63 36
  77 5.99 60
  78 1.25 13
  84 2.57 26
  85 2.96 30
  91 3.5 35
  92 6.86 69
  94 99.99 999
  95 7.83 78
  106 1.89 19
  119 6.44 64
  120 1.2 12
  177 14.55 146
  178 2.03 20
//