ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009996
RECORD_TITLE: 4-CHLORO-3-BUTEN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 4-CHLORO-3-BUTEN-2-ONE
CH$NAME: -BUTENE-3-ONE-1-CHLORO
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H5ClO
CH$EXACT_MASS: 104.00289
CH$SMILES: CC(=O)C=CCl
CH$IUPAC: InChI=1S/C4H5ClO/c1-4(6)2-3-5/h2-3H,1H3/b3-2+
CH$LINK: INCHIKEY HTPABEPAZTWGPP-NSCUHMNNSA-N
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-000l-9100000000-0e6c8b326b428c8de8d2
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  26 1.9 19
  43 30.6 306
  60 1.1 11
  61 1.84 18
  62 1.1 11
  63 5.8 58
  89 99.99 999
  90 0.33 3
  91 33.8 338
  92 1.3 13
  104 27 270
  105 0.11 1
  106 9 90
//
