ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008143
RECORD_TITLE: (Z)-9-HEPTACOSENE; 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$NAME: (Z)-9-HEPTACOSENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₅₄
CH$EXACT_MASS: 378.42255
CH$SMILES: CCCCCCCCCCCCCCCCCC([H])=C([H])CCCCCCCC
CH$IUPAC: InChI=1S/C27H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-27H2,1-2H3/b19-17-
CH$LINK: INCHIKEY WWHBGRQNRIORRZ-ZPHPHTNESA-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$SPLASH: splash10-0a4l-9100000000-a1a648eb44f13c880399
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  41 44.74 447
  42 11.04 110
  43 99.99 999
  53 3.82 38
  54 18.31 183
  55 77.13 771
  56 35.78 358
  57 95.83 958
  58 5.81 58
  65 1.23 12
  66 2.84 28
  67 20.72 207
  68 14.86 149
  69 66.63 666
  70 34.55 346
  71 47.64 476
  72 2.82 28
  79 3.38 34
  80 1.77 18
  81 13.19 132
  82 25.64 256
  83 87.49 875
  84 26.6 266
  85 30.3 303
  86 1.54 15
  93 1.38 14
  95 9.13 91
  96 18.33 183
  97 76.95 770
  98 16.44 164
  99 9.66 97
  109 3.69 37
  110 6.67 67
  111 40.06 401
  112 13.76 138
  113 5.66 57
  123 2.65 27
  124 5.49 55
  125 17.78 178
  126 6.35 64
  127 2.96 30
  137 1.51 15
  138 3.35 34
  139 6.76 68
  140 6.2 62
  141 2.36 24
  152 1.6 16
  153 4.48 45
  154 3.24 32
  166 1.71 17
  167 4.19 42
  168 2.48 25
  180 1.38 14
  181 1.76 18
  182 1.73 17
  195 1.44 14
  196 1.37 14
  210 1.08 11
  223 1.23 12
  224 1.04 10
  378 6.48 65
  379 2.32 23
//