ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008146
RECORD_TITLE: (6Z,9Z)-6,9-PENTACOSADIENE; 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$NAME: (6Z,9Z)-6,9-PENTACOSADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₄₈
CH$EXACT_MASS: 348.37560
CH$SMILES: CCCCCCCCCCCCCCCC([H])=C([H])CC([H])=C([H])CCCCC
CH$IUPAC: InChI=1S/C25H48/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19H,3-10,12,14-16,18,20-25H2,1-2H3/b13-11-,19-17-
CH$LINK: INCHIKEY HEDSUJXTHUJEDT-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$SPLASH: splash10-00lu-9100000000-5c478290be64fe507b59
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  41 89.37 894
  42 3.13 31
  43 94.88 949
  44 6.13 61
  53 2.33 23
  54 57.65 577
  55 99.99 999
  56 16.72 167
  57 54.16 542
  58 3.8 38
  60 1.57 16
  65 3.41 34
  66 8.07 81
  67 92.34 923
  68 55.17 552
  69 63.63 636
  70 9.25 93
  71 24.12 241
  72 2.86 29
  75 1.95 20
  77 5.53 55
  78 3.59 36
  79 32.17 322
  80 9 90
  81 64.07 641
  82 84.01 840
  83 61.68 617
  84 10.14 101
  85 9.61 96
  91 6.02 60
  92 2.24 22
  93 11.49 115
  95 57.24 572
  96 84.95 850
  97 45.56 456
  98 10.35 104
  99 2.94 29
  107 1.74 17
  108 5.96 60
  109 26.29 263
  110 62.28 623
  111 18.46 185
  113 1.41 14
  121 2.23 22
  123 16.42 164
  124 24.65 247
  125 16.61 166
  126 2.46 25
  131 2.55 26
  137 6.63 66
  138 13.51 135
  151 1.99 20
  153 4.6 46
  166 2.88 29
  181 2.87 29
  193 2 20
  207 3.06 31
  208 1.68 17
  236 3.64 36
  250 3.37 34
  281 7.68 77
  283 1.52 15
  290 1.71 17
  346 1.88 19
  348 21.66 217
  349 5.35 54
  350 4.7 47
//