MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005949

PROPARGYL BROMIDE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005949
RECORD_TITLE: PROPARGYL 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

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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

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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

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PK$SPLASH: splash10-01b9-1900000000-bb5626feb5079218dee9
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  79 13.3 133
  80 1.76 18
  81 11.34 113
  82 2.04 20
  91 2.26 23
  93 10.12 101
  94 1.23 12
  95 8.1 81
  116 1.65 17
  117 14.01 140
  118 99.99 999
  119 26.19 262
  120 96.39 964
  121 10.75 108
//