ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003044
RECORD_TITLE: 1,1-DICHLOROACETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 1,1-DICHLOROACETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₄Cl₂O
CH$EXACT_MASS: 125.96392
CH$SMILES: CC(=O)C(Cl)Cl
CH$IUPAC: InChI=1S/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H3
CH$LINK: INCHIKEY CSVFWMMPUJDVKH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021576

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-e57c15ad13860c60d209
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  25 0.5 5
  26 2.3 23
  27 7.5 75
  28 0.13 1
  29 0.9 9
  35 0.5 5
  36 1.1 11
  37 0.08 1
  38 0.8 8
  39 0.7 7
  40 0.3 3
  41 0.06 1
  42 2.1 21
  43 99.99 999
  44 2.1 21
  45 0.02 0
  47 1.1 11
  48 1.7 17
  49 1.1 11
  50 0.06 1
  51 0.2 2
  53 0.1 1
  55 0.1 1
  60 0.02 0
  61 0.4 4
  62 0.4 4
  63 2.2 22
  64 0.02 0
  65 0.6 6
  76 0.7 7
  78 0.2 2
  82 0.01 0
  83 2.6 26
  84 0.2 2
  85 1.7 17
  87 0.03 0
  91 1.3 13
  92 0.2 2
  93 0.4 4
  94 0.01 0
  126 0.4 4
  128 0.3 3
//