ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009816
RECORD_TITLE: 6-CHLORO-3,7-DIMETHYL-2,7-OCTADIENAL; 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$NAME: 6-CHLORO-3,7-DIMETHYL-2,7-OCTADIENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₅ClO
CH$EXACT_MASS: 186.08114
CH$SMILES: O=CC=C(C)CCC(Cl)C(C)=C
CH$IUPAC: InChI=1S/C10H15ClO/c1-8(2)10(11)5-4-9(3)6-7-12/h6-7,10H,1,4-5H2,2-3H3/b9-6+
CH$LINK: INCHIKEY AUSCHJGENLMKTA-RMKNXTFCSA-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$SPLASH: splash10-00l7-9200000000-c090b16005a4e67f031c
PK$NUM_PEAK: 81
PK$PEAK: m/z int. rel.int.
  27 31.9 319
  28 10.3 103
  29 28.5 285
  36 0.53 5
  38 4.1 41
  39 57.2 572
  40 13.1 131
  41 99.99 999
  42 7.4 74
  43 33.4 334
  50 3.9 39
  51 1.13 11
  52 5.9 59
  53 53.4 534
  54 16.6 166
  55 5.13 51
  56 10.6 106
  57 7.8 78
  59 4.1 41
  63 0.52 5
  65 13 130
  66 6.3 63
  67 73.3 733
  68 7.1 71
  69 42.8 428
  70 3.9 39
  71 11.5 115
  75 0.86 9
  77 17.7 177
  78 3.5 35
  79 32.1 321
  80 1.21 12
  81 55.1 551
  82 45 450
  83 30.5 305
  84 7.26 73
  85 4.4 44
  89 10.1 101
  90 19.3 193
  91 2.46 25
  92 11 110
  93 30.7 307
  94 15.7 157
  95 6.76 68
  96 8.4 84
  97 83.6 836
  98 5.5 55
  102 1.77 18
  103 6.3 63
  104 7.4 74
  105 19 190
  106 0.88 9
  107 30.1 301
  108 9.3 93
  109 47.3 473
  110 0.71 7
  115 3.3 33
  117 8.5 85
  118 23.7 237
  119 0.61 6
  120 9.6 96
  121 20.5 205
  122 9.3 93
  123 1.56 16
  124 8.4 84
  129 2.2 22
  130 2.7 27
  131 0.21 2
  132 3.9 39
  133 12.6 126
  135 17.1 171
  136 0.23 2
  142 7.4 74
  143 2.1 21
  144 3.3 33
  150 0.52 5
  151 21.6 216
  152 2.6 26
  157 2 20
  171 1.33 13
  173 5.2 52
//