ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011280
RECORD_TITLE: PARA-CHLOROACETOACETANILIDE; 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$NAME: PARA-CHLOROACETOACETANILIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₀ClNO₂
CH$EXACT_MASS: 211.04001
CH$SMILES: CC(=O)CC(=O)Nc(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C10H10ClNO2/c1-7(13)6-10(14)12-9-4-2-8(11)3-5-9/h2-5H,6H2,1H3,(H,12,14)
CH$LINK: INCHIKEY JMRJWEJJUKUBEA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3036654

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$SPLASH: splash10-01t9-4970000000-60dce85599c8f50ae7a1
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 1.64 16
  27 1.07 11
  28 3.28 33
  39 2.77 28
  42 1.75 18
  43 31.53 315
  58 4.25 43
  63 4.84 48
  64 1.69 17
  65 3.12 31
  73 1.97 20
  75 1.8 18
  85 3.59 36
  90 1.8 18
  91 2.27 23
  92 2.68 27
  99 4.08 41
  100 1.08 11
  101 1.36 14
  125 1.28 13
  126 2.32 23
  127 99.99 999
  128 8.85 89
  129 31.66 317
  130 2.72 27
  140 1.14 11
  153 5.21 52
  154 1 10
  155 1.71 17
  211 58.1 581
  212 33.57 336
  213 21.72 217
  214 10.95 110
  215 1.19 12
//