MassBank Record: JP000957

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1,1,1-TRICHLOROETHANE; EI-B; MS

Mass Spectrum
Chemical Structure
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ACCESSION: JP000957
RECORD_TITLE: 1,1,1-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$NAME: 1,1,1-TRICHLOROETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H3Cl3
CH$EXACT_MASS: 131.93002999999998792191036045551300048828125
CH$SMILES: CC(Cl)(Cl)Cl
CH$IUPAC: InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3
CH$LINK: CAS 71-55-6
CH$LINK: COMPTOX DTXSID0021381
CH$LINK: INCHIKEY UOCLXMDMGBRAIB-UHFFFAOYSA-N

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$SPLASH: splash10-0002-9000000000-acdd1de2f2f494cc9f33
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  25 3.7 37
  26 11.8 118
  27 7.5 75
  35 0.87 9
  36 2.7 27
  37 3.3 33
  47 3.8 38
  60 0.96 10
  61 51.2 512
  62 6.9 69
  63 16.3 163
  82 0.23 2
  97 99.99 999
  98 3.2 32
  99 60.9 609
  101 1.02 10
  117 10.7 107
  119 10.2 102
  121 3.3 33
//