ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000942
RECORD_TITLE: 1,2-DICHLOROPROPANE; 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$NAME: 1,2-DICHLOROPROPANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₆Cl₂
CH$EXACT_MASS: 111.98466
CH$SMILES: CC(Cl)CCl
CH$IUPAC: InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3
CH$LINK: CAS 78-87-5
CH$LINK: INCHIKEY KNKRKFALVUDBJE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0020448

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$SPLASH: splash10-03di-9000000000-bad4a570768fedc57170
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  35 4 40
  36 5.8 58
  37 12 120
  38 1.64 16
  39 54.7 547
  40 8.2 82
  41 71.2 712
  42 0.51 5
  47 2.7 27
  48 2 20
  49 18.1 181
  51 0.58 6
  60 2.2 22
  61 16.2 162
  62 78.1 781
  63 99.99 999
  64 26.1 261
  65 30.6 306
  75 4.2 42
  76 6.38 64
  77 12.8 128
  78 21.2 212
  79 3.6 36
  97 0.51 5
  99 3.4 34
  112 5.9 59
  114 2.8 28
//