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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011052

BETA-BROMOISOPROPYLBENZENE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011052
RECORD_TITLE: BETA-BROMOISOPROPYLBENZENE; 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$NAME: BETA-BROMOISOPROPYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H11Br
CH$EXACT_MASS: 198.00441
CH$SMILES: BrCC(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H11Br/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
CH$LINK: CAS 1459-00-3
CH$LINK: INCHIKEY XJWVCWQKZQENDS-UHFFFAOYSA-N

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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-5900000000-2f4b9c6f5326346a6080
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 1.13 11
  27 3.4 34
  28 1.24 12
  39 6.49 65
  41 5.27 53
  50 3.36 34
  51 7.58 76
  52 1.78 18
  63 3.14 31
  65 3.46 35
  74 1.12 11
  75 1.19 12
  76 1.42 14
  77 11.54 115
  78 7.97 80
  79 7.83 78
  89 1.73 17
  91 28.14 281
  92 2.47 25
  93 2.01 20
  95 1.93 19
  102 2.21 22
  103 12.14 121
  104 15.48 155
  105 99.99 999
  106 9.03 90
  115 4.14 41
  116 1.08 11
  117 6.33 63
  118 4.51 45
  119 8.95 90
  198 11.03 110
  199 1.15 12
  200 10.59 106
  201 1.09 11
//

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