ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005947
RECORD_TITLE: PROPYL BROMIDE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PROPYL BROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₇Br
CH$EXACT_MASS: 121.97311
CH$SMILES: CCCBr
CH$IUPAC: InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3
CH$LINK: INCHIKEY CYNYIHKIEHGYOZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6021874

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$SPLASH: splash10-00di-1900000000-955cdef9cb33dc21f463
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  79 3.76 38
  80 5.53 55
  82 2.32 23
  91 2.19 22
  92 1.81 18
  93 19.38 194
  94 3.53 35
  95 15.64 156
  96 1.36 14
  105 2.32 23
  106 2.07 21
  107 15.83 158
  108 0.92 9
  109 13.04 130
  119 1.62 16
  121 16.72 167
  122 98.61 986
  123 24.23 242
  124 99.99 999
  125 3.38 34
//