ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007949
RECORD_TITLE: EXO-1-DEUTERIO-TRICYCLO(4.4.1.1(2,5))DODECA-3,7,9-TRIEN-11-ONE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: EXO-1-DEUTERIO-TRICYCLO(4.4.1.1(2,5))DODECA-3,7,9-TRIEN-11-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₂O
CH$EXACT_MASS: 172.08882
CH$SMILES: N/A
CH$IUPAC: N/A

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV

PK$SPLASH: splash10-0019-9333200000-7a9edc22105f81a61f47
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
  31 1.43 14
  35 1.55 16
  37 4.25 43
  39 39.76 398
  42 1.17 12
  43 2.24 22
  45 1.15 12
  46 29.45 295
  59 7.87 79
  61 2.8 28
  62 1.13 11
  63 4.75 48
  65 5.56 56
  66 5.58 56
  79 1.92 19
  85 20.71 207
  87 99.99 999
  88 7.76 78
  105 1.15 12
  106 7.89 79
  107 30.22 302
  108 15.28 153
  109 1.6 16
  128 1.11 11
  131 28.08 281
  132 3.95 40
  135 1.04 10
  147 1.22 12
  171 2.22 22
  172 1.86 19
  178 1.51 15
  200 2.41 24
  212 4.38 44
  216 2.65 27
  219 1.26 13
  224 1.71 17
  231 8.21 82
  235 0.98 10
  243 1.15 12
  250 3.66 37
  259 1.19 12
  262 21.36 214
  266 1.28 13
  269 1.47 15
  274 2.41 24
  281 27.56 276
  282 2.88 29
  286 1.24 12
  293 2.71 27
  300 2.5 25
  312 15.71 157
  313 1.19 12
  324 3.85 39
  331 24.05 241
  332 3.31 33
  343 3.36 34
  350 2.84 28
  355 1.22 12
  362 6.39 64
  369 1.13 11
  374 3.87 39
  381 16.65 167
  382 2.26 23
  386 2.2 22
  393 3.78 38
  400 7.34 73
  405 2.01 20
  412 3.33 33
  419 1.04 10
  424 2.39 24
  431 7.47 75
  432 1.09 11
  436 2.99 30
  443 4.73 47
  448 1.11 11
  455 1.41 14
  462 3.06 31
  474 2.84 28
  481 4.34 43
  486 2.35 24
  493 4.6 46
  498 1.04 10
//