ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011010
RECORD_TITLE: 5-ACETOXY-2-CHLOROTROPONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKESHITA H, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 5-ACETOXY-2-CHLOROTROPONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₇ClO₃
CH$EXACT_MASS: 198.00837
CH$SMILES: CC(=O)OC(C=1)=CC=C(Cl)C(=O)C1
CH$IUPAC: InChI=1S/C9H7ClO3/c1-6(11)13-7-2-4-8(10)9(12)5-3-7/h2-5H,1H3
CH$LINK: INCHIKEY KRFUKQNYRDCNMT-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-002f-9800000000-6daa640ad11975a7f219
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  37 2.38 24
  38 4.97 50
  39 5.21 52
  42 2.43 24
  43 99.99 999
  44 2.41 24
  45 3.15 32
  50 2.93 29
  53 3.18 32
  54 2.79 28
  60 2.69 27
  61 3.89 39
  62 4.38 44
  63 8.57 86
  64 8.8 88
  65 8.97 90
  69 2.2 22
  73 7.99 80
  74 3.12 31
  75 3.72 37
  82 2.21 22
  83 2.66 27
  99 2.81 28
  121 3.16 32
  128 59.78 598
  129 4.28 43
  130 17.19 172
  138 4.87 49
  144 4.85 49
  156 29.97 300
  158 13.99 140
  172 7.58 76
  174 2.68 27
  180 2.52 25
  198 23.18 232
  199 2.28 23
  200 8.18 82
//