ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010109
RECORD_TITLE: 3-BROMOMETHYL-2,2-DIMETHYL-3-CYCLOPENTENYLETHANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 3-BROMOMETHYL-2,2-DIMETHYL-3-CYCLOPENTENYLETHANAL
CH$NAME: 1-BROMOMETHYL-2,2-DIMETHYL-3-FORMYLMETHYL-1-CYCLOPENTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H15BrO
CH$EXACT_MASS: 230.03063
CH$SMILES: O=CCC(C1)C(C)(C)C(CBr)=C([H])1
CH$IUPAC: InChI=1S/C10H15BrO/c1-10(2)8(5-6-12)3-4-9(10)7-11/h4,6,8H,3,5,7H2,1-2H3
CH$LINK: INCHIKEY XCQDWMJNYQLKSC-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0a4i-4900000000-d4f6a266eb61f765577e
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  39 6 60
  40 0.9 9
  41 9.5 95
  43 0.3 3
  51 2.6 26
  52 1.3 13
  53 6 60
  55 0.43 4
  65 3.4 34
  66 0.9 9
  67 5.4 54
  68 0.09 1
  69 2.6 26
  77 5.2 52
  78 1.1 11
  79 1.14 11
  80 1.1 11
  81 4.3 43
  91 15.5 155
  92 0.6 6
  93 8 80
  94 1.7 17
  95 2.1 21
  105 0.52 5
  106 9.9 99
  107 99.99 999
  108 11.2 112
  109 1.72 17
  110 1.7 17
  117 0.7 7
  118 1 10
  121 0.11 1
  123 2.3 23
  133 1.1 11
  135 1.7 17
  150 0.86 9
  151 8.6 86
  152 0.9 9
  171 0.7 7
  173 0.26 3
  175 1.7 17
  186 5.2 52
  187 0.9 9
  188 0.52 5
  189 0.7 7
//
