MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005949
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
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$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-01b9-1900000000-bb5626feb5079218dee9
PK$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
//