ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000535
RECORD_TITLE: PARA-BROMOACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: PARA-BROMOACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₇BrO
CH$EXACT_MASS: 197.96803
CH$SMILES: CC(=O)c(c1)ccc(Br)c1
CH$IUPAC: InChI=1S/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
CH$LINK: INCHIKEY WYECURVXVYPVAT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4059203

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0540-0900000000-7bb7ead51af807899534
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  43 8.22 82
  75 4.39 44
  76 6.9 69
  77 2.14 21
  104 2.82 28
  155 27.76 278
  156 2.15 22
  157 27.11 271
  158 2.13 21
  183 99.99 999
  185 97.48 975
  186 7.44 74
  198 26.68 267
  199 2.64 26
  200 26.46 265
  201 2.59 26
//