ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010843
RECORD_TITLE: FLEXIBILENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: FLEXIBILENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₂
CH$EXACT_MASS: 272.25040
CH$SMILES: CC(C1)=CCCC(C)=CCC(C)(C)C=CCC(C)=CC1
CH$IUPAC: InChI=1S/C20H32/c1-17-9-6-11-18(2)13-8-15-20(4,5)16-14-19(3)12-7-10-17/h8,10-11,14-15H,6-7,9,12-13,16H2,1-5H3/b15-8-,17-10+,18-11+,19-14-
CH$LINK: INCHIKEY SPMBDLTUBLYRCT-PWOPFSNCSA-N

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-000f-8900000000-512fa945eb79e6105f69
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  65 4.5 45
  66 26.5 265
  68 20 200
  69 1.25 13
  70 1 10
  77 18 180
  78 3.5 35
  79 2.4 24
  80 26 260
  81 21 210
  82 5.5 55
  83 0.2 2
  91 22.5 225
  92 15 150
  93 99.99 999
  94 1.45 15
  95 14 140
  96 2.5 25
  97 1 10
  103 0.15 2
  105 18.5 185
  106 5 50
  107 30.5 305
  108 0.7 7
  109 23.5 235
  110 2 20
  115 1.5 15
  117 0.15 2
  119 13.5 135
  120 4.5 45
  121 35 350
  122 1.1 11
  123 6 60
  124 1 10
  131 2 20
  132 0.1 1
  133 9 90
  134 9.5 95
  135 88 880
  136 1.7 17
  137 2.5 25
  145 2.5 25
  146 1.5 15
  147 1.05 11
  148 5 50
  149 3 30
  159 4 40
  160 0.1 1
  161 10 100
  162 3 30
  163 4 40
  164 0.1 1
  173 1 10
  175 3 30
  176 2 20
  177 0.1 1
  187 3.5 35
  188 1.5 15
  189 6 60
  190 0.2 2
  191 1 10
  201 1 10
  202 4 40
  203 0.3 3
  204 1 10
  215 1.5 15
  216 1.5 15
  229 0.25 3
  230 1 10
  257 2 20
  258 1 10
  272 2.45 25
  273 4.5 45
  274 1 10
//