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MassBank Record: JP003522

M-BROMOACETOPHENONE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP003522
RECORD_TITLE: M-BROMOACETOPHENONE; EI-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$NAME: M-BROMOACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7BrO
CH$EXACT_MASS: 197.96803
CH$SMILES: CC(=O)c(c1)cc(Br)cc1
CH$IUPAC: InChI=1S/C8H7BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
CH$LINK: INCHIKEY JYAQYXOVOHJRCS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40870941

AC$INSTRUMENT: HITACHI M-68
AC$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$SPLASH: splash10-0f8i-5910000000-df061c2bafabcb2abd3c
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 6.6 66
  26 1.2 12
  27 1.3 13
  37 3 30
  38 6.2 62
  39 3.3 33
  43 42.4 424
  49 0.24 2
  50 28.7 287
  51 8.1 81
  61 2.5 25
  62 0.36 4
  63 5.4 54
  73 3.6 36
  74 17.3 173
  75 2.57 26
  76 29.5 295
  77 6.7 67
  79 1.6 16
  81 0.15 2
  90 2.5 25
  91 2.1 21
  104 4.1 41
  155 4.27 43
  156 3.7 37
  157 44.6 446
  158 3.3 33
  183 99.99 999
  184 7.1 71
  185 89.6 896
  186 6.7 67
  198 4.2 42
  199 4.2 42
  200 38.8 388
  201 4 40
//

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