ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000958
RECORD_TITLE: 1,1,2-TRICHLOROETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 1,1,2-TRICHLOROETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂H₃Cl₃
CH$EXACT_MASS: 131.93003
CH$SMILES: ClCC(Cl)Cl
CH$IUPAC: InChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2
CH$LINK: CAS 79-00-5
CH$LINK: INCHIKEY UBOXGVDOUJQMTN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021380

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0002-9000000000-b36dd60ff3a07b029065
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  25 2.9 29
  26 10.2 102
  27 7.8 78
  35 0.75 8
  36 2.3 23
  37 2.6 26
  47 4.1 41
  48 0.32 3
  49 7.8 78
  60 9.3 93
  61 54.7 547
  62 0.96 10
  63 17.7 177
  83 76 760
  85 53 530
  87 0.78 8
  95 5 50
  96 28.3 283
  97 99.99 999
  98 2.06 21
  99 61.7 617
  100 4.4 44
  101 9.8 98
  132 1.57 16
  134 15.8 158
  136 4.9 49
//