MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005948
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005948
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL BROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H7Br
CH$EXACT_MASS: 121.97311
CH$SMILES: CC(C)Br
CH$IUPAC: InChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3
CH$LINK: COMPTOX
DTXSID7030197
CH$LINK: INCHIKEY
NAMYKGVDVNBCFQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:6358
AC$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-1900000000-80687c58bcb747ed4377
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
79 10.86 109
80 4.24 42
81 13.12 131
82 3.92 39
87 4.13 41
93 11.26 113
95 8.16 82
105 2.64 26
106 1.97 20
107 30 300
109 25.19 252
121 19.05 191
122 99.99 999
123 27 270
124 93.54 935
125 3.72 37
//