ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008287
RECORD_TITLE: VINYL BRASSYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: VINYL BRASSYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O₄
CH$EXACT_MASS: 270.18311
CH$SMILES: C=COC(=O)CCCCCCCCCCCC(O)=O
CH$IUPAC: InChI=1S/C15H26O4/c1-2-19-15(18)13-11-9-7-5-3-4-6-8-10-12-14(16)17/h2H,1,3-13H2,(H,16,17)
CH$LINK: INCHIKEY SXFXZRUEZJONJH-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-053e-9200000000-d428799b447eea4b0622
PK$NUM_PEAK: 133
PK$PEAK: m/z int. rel.int.
  15 3.11 31
  27 16.76 168
  28 10.92 109
  29 28.78 288
  30 0.99 10
  31 2.51 25
  39 11.86 119
  40 3.77 38
  41 66.35 664
  42 30.33 303
  43 38.63 386
  44 5.5 55
  45 10.57 106
  53 5.11 51
  54 8.94 89
  55 99.99 999
  56 17.42 174
  57 12.5 125
  58 8.39 84
  59 3.72 37
  60 3.2 32
  61 4.27 43
  65 1.06 11
  66 1.24 12
  67 18.87 189
  68 11.06 111
  69 32.78 328
  70 11.06 111
  71 8.25 83
  72 1.3 13
  73 4.36 44
  74 1.46 15
  77 1.02 10
  79 5.33 53
  80 5.22 52
  81 17.47 175
  82 9.91 99
  83 31.16 312
  84 44.25 443
  85 8.05 81
  86 67.2 672
  87 24.16 242
  88 1.45 15
  89 1.2 12
  91 1.49 15
  92 1.3 13
  93 4.77 48
  94 4.75 48
  95 10.46 105
  96 8.51 85
  97 19.55 196
  98 79.83 798
  99 47.03 470
  100 5.03 50
  101 2.96 30
  104 4.17 42
  105 2.44 24
  106 1.4 14
  107 5.73 57
  108 2.91 29
  109 5.24 52
  110 3.86 39
  111 11.36 114
  112 28.08 281
  113 6.82 68
  114 1.57 16
  115 1.8 18
  117 2.52 25
  119 1.16 12
  120 1.1 11
  121 3.35 34
  122 2.29 23
  123 4.84 48
  124 4.88 49
  125 17.87 179
  126 4.87 49
  127 2.56 26
  129 1.48 15
  133 1.71 17
  134 0.91 9
  135 1.68 17
  136 1.33 13
  137 3.32 33
  138 2.48 25
  139 3.83 38
  140 1.11 11
  141 3.9 39
  143 1.66 17
  144 1.19 12
  145 1.62 16
  146 1.18 12
  147 1.97 20
  149 7.41 74
  150 1.3 13
  151 1.75 18
  152 3.04 30
  153 1.09 11
  155 9.21 92
  156 1.45 15
  159 3.52 35
  162 1.22 12
  163 3.34 33
  164 1.88 19
  165 1.57 16
  166 3.19 32
  167 2.55 26
  169 1.98 20
  171 1.03 10
  173 6.56 66
  174 1.09 11
  180 5.44 54
  181 3.45 35
  182 2.43 24
  183 1.33 13
  187 22.03 220
  188 2.65 27
  191 1.04 10
  197 1.38 14
  208 6.16 62
  209 2.5 25
  210 1.74 17
  211 17.05 171
  212 2.79 28
  227 41.29 413
  228 6.41 64
  229 0.75 8
  240 0.91 9
  241 1.02 10
  242 1.93 19
  252 1.45 15
  269 0.56 6
  270 5.33 53
  271 0.98 10
//