ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009540
RECORD_TITLE: GERANYL BROMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: GERANYL BROMIDE
CH$NAME: TRANS-1-BROMO-3,7-DIMETHYL-2,6-OCTADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₇Br
CH$EXACT_MASS: 216.05136
CH$SMILES: CC(C)=CCCC(C)=CCBr
CH$IUPAC: InChI=1S/C10H17Br/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+
CH$LINK: CAS 6138-90-5
CH$LINK: INCHIKEY JSCUZAYKVZXKQE-JXMROGBWSA-N
CH$LINK: COMPTOX DTXSID80884229

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$SPLASH: splash10-014i-9000000000-06cebcea3d02f729242f
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  15 1.39 14
  26 1.33 13
  27 17.95 180
  29 10.01 100
  38 1.53 15
  39 24.73 247
  40 6.57 66
  41 64.28 643
  42 5.03 50
  43 6.4 64
  50 1.72 17
  51 5.22 52
  52 3.24 32
  53 19.55 196
  54 2.91 29
  55 13.36 134
  56 1.7 17
  57 2.99 30
  59 2.57 26
  63 1.45 15
  65 4.11 41
  66 2.25 23
  67 22.6 226
  68 18.16 182
  69 99.99 999
  70 5.78 58
  71 1.04 10
  77 5.3 53
  78 1.35 14
  79 6.52 65
  80 1.96 20
  81 41.21 412
  82 3.68 37
  83 1.76 18
  91 4.58 46
  92 1.69 17
  93 7.97 80
  94 1.77 18
  95 9.76 98
  96 1.91 19
  105 1.99 20
  107 1.72 17
  109 1.4 14
  110 0.99 10
  121 3.06 31
  123 1.06 11
  135 0.88 9
  136 3.95 40
  137 24.7 247
  138 2.76 28
  173 1.21 12
  175 1.15 12
  178 0.87 9
  217 0.8 8
//