ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006110
RECORD_TITLE: 1-BROMO-3-CHLOROPROPANE; CI-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$NAME: 1-BROMO-3-CHLOROPROPANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₆BrCl
CH$EXACT_MASS: 155.93414
CH$SMILES: ClCCCBr
CH$IUPAC: InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2
CH$LINK: INCHIKEY MFESCIUQSIBMSM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1051565

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-056r-7900000000-45e79c9d69574c2fd9df
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  75 5.87 59
  76 45.18 452
  77 99.99 999
  78 19.24 192
  79 27.89 279
  80 1.12 11
  93 4.7 47
  95 4.1 41
  107 11.76 118
  109 11.83 118
  119 1.34 13
  120 3.01 30
  121 26.77 268
  122 3.64 36
  123 25.81 258
  156 53.84 538
  157 3.03 30
  158 73.17 732
  159 3.37 34
  160 17.25 173
//