ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005836
RECORD_TITLE: 1,2,3-TRICHLOROPROPANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 1,2,3-TRICHLOROPROPANE
CH$NAME: GLYCEROL TRICHLOROHYDRIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₅Cl₃
CH$EXACT_MASS: 145.94568
CH$SMILES: ClCC(Cl)CCl
CH$IUPAC: InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2
CH$LINK: INCHIKEY CFXQEHVMCRXUSD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9021390

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01t9-9300000000-c8554170f7d6b3c938cf
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  39 7.98 80
  41 3.4 34
  49 9.74 97
  51 3.25 33
  61 21.28 213
  62 9.35 94
  63 8.17 82
  64 2.92 29
  75 99.99 999
  76 3.47 35
  77 30.26 303
  83 1.47 15
  85 1 10
  96 2.97 30
  97 14.05 141
  98 2.06 21
  99 8.91 89
  101 1.85 19
  109 1.3 13
  110 44.82 448
  111 4.37 44
  112 29.01 290
  113 2.55 26
  114 4.97 50
//