ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011783
RECORD_TITLE: PARA-BROMOANISOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PARA-BROMOANISOLE
CH$NAME: 4-METHOXYBROMOBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇BrO
CH$EXACT_MASS: 185.96803
CH$SMILES: COc(c1)ccc(Br)c1
CH$IUPAC: InChI=1S/C7H7BrO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
CH$LINK: INCHIKEY QJPJQTDYNZXKQF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2059308

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-000i-4900000000-fe8bbaa73b4cfc3543c3
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  15 6.32 63
  29 3.06 31
  37 4.52 45
  38 12.84 128
  39 3.99 40
  49 2.01 20
  50 15.54 155
  51 6.11 61
  53 2.4 24
  61 4.34 43
  62 9.95 100
  63 33.46 335
  64 20.2 202
  73 2.21 22
  74 9.47 95
  75 11.21 112
  76 8.63 86
  77 17 170
  78 2.81 28
  79 4.44 44
  92 13.7 137
  117 4.48 45
  119 4.5 45
  143 37.88 379
  144 2.56 26
  145 37.88 379
  146 2.03 20
  155 3.57 36
  156 2.09 21
  157 3.9 39
  171 38.04 380
  172 3.41 34
  173 36.72 367
  174 2.58 26
  186 99.99 999
  187 8.07 81
  188 96.58 966
  189 7.91 79
//