ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011781
RECORD_TITLE: ORTHO-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$NAME: ORTHO-BROMOANISOLE
CH$NAME: 2-METHOXYBROMOBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇BrO
CH$EXACT_MASS: 185.96803
CH$SMILES: COc(c1)c(Br)ccc1
CH$IUPAC: InChI=1S/C7H7BrO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
CH$LINK: INCHIKEY HTDQSWDEWGSAMN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4060367

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$SPLASH: splash10-000i-5900000000-a7c241ec03f353869b71
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  26 1.3 13
  27 1.44 14
  29 3.85 39
  32 1.77 18
  37 5.16 52
  38 11.87 119
  39 6.76 68
  49 2.34 23
  50 15.89 159
  51 14.52 145
  52 1.56 16
  53 3.96 40
  61 4.51 45
  62 9.91 99
  63 32.98 330
  64 17.84 178
  65 1.83 18
  73 2.11 21
  74 8.46 85
  75 10.21 102
  76 8.96 90
  77 29.03 290
  78 4.6 46
  79 5.77 58
  81 1.24 12
  92 14.84 148
  93 1.7 17
  107 1.05 11
  117 5.5 55
  119 5.59 56
  143 43.3 433
  144 2.56 26
  145 42.87 429
  146 2.39 24
  155 2.93 29
  156 1.59 16
  157 3.13 31
  158 1.43 14
  171 30.69 307
  172 2.77 28
  173 29.59 296
  174 1.77 18
  186 99.99 999
  187 8.31 83
  188 98.67 987
  189 7.41 74
//