ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005875
RECORD_TITLE: PROPARGYL BROMIDE; EI-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$NAME: PROPARGYL BROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₃Br
CH$EXACT_MASS: 117.94181
CH$SMILES: C#CCBr
CH$IUPAC: InChI=1S/C3H3Br/c1-2-3-4/h1H,3H2
CH$LINK: INCHIKEY YORCIIVHUBAYBQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3042340

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-000i-9300000000-55dd22ea86985d58c0b7
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  24 1.18 12
  25 1.93 19
  26 1.63 16
  36 3.12 31
  37 16.2 162
  38 25.4 254
  39 99.99 999
  40 3.56 36
  79 3.56 36
  81 3.56 36
  117 1.33 13
  118 29.27 293
  119 2.08 21
  120 27.63 276
  121 0.98 10
//