ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008140
RECORD_TITLE: (6Z,9Z)-6,9-HENTRIACONTADIENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: (6Z,9Z)-6,9-HENTRIACONTADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₁H₆₀
CH$EXACT_MASS: 432.46950
CH$SMILES: C(CCCCCCCCCCCCCCCCC([H])=C([H])CC([H])=C([H])CCCCC)CCCC
CH$IUPAC: InChI=1S/C31H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19H,3-10,12,14-16,18,20-31H2,1-2H3/b13-11-,19-17-
CH$LINK: INCHIKEY RNAQFDIFLHTKJB-OHNCOSGTSA-N

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0535-9100000000-590079271ebed60b1b1e
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  41 36.91 369
  42 9.57 96
  43 68.24 682
  44 2.47 25
  53 2.58 26
  54 30.61 306
  55 99.99 999
  56 28.94 289
  57 41.06 411
  58 2.77 28
  66 2.7 27
  67 35.74 357
  68 29.53 295
  69 73.54 735
  70 19.22 192
  71 17.92 179
  72 1.68 17
  73 2.51 25
  77 1.7 17
  79 7.06 71
  80 6.65 67
  81 36.19 362
  82 61.2 612
  83 76.46 765
  84 9.42 94
  85 12.41 124
  86 1.78 18
  91 2.07 21
  94 4.06 41
  95 38.3 383
  96 63.43 634
  97 48.32 483
  98 3.19 32
  109 20.44 204
  110 30.89 309
  111 26.04 260
  113 1.85 19
  121 2.01 20
  122 1.36 14
  123 18 180
  124 21.52 215
  125 7.39 74
  126 1.8 18
  137 11.2 112
  138 11.72 117
  139 3.47 35
  151 3.79 38
  152 6.18 62
  153 1.4 14
  165 1.9 19
  166 7.44 74
  167 1.53 15
  179 1.58 16
  180 3 30
  193 2.94 29
  194 4.39 44
  207 5.39 54
  221 2.19 22
  222 3.91 39
  236 2.7 27
  250 2.05 21
  263 1.06 11
  264 1.35 14
  278 1.47 15
  281 6.09 61
  282 2.79 28
  292 1.91 19
  306 3.84 38
  307 1.03 10
  320 6.87 69
  321 1.59 16
  333 2.03 20
  334 2.86 29
  341 1 10
  348 3.3 33
  432 23.66 237
  433 10.36 104
  434 1.56 16
//