ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008147
RECORD_TITLE: HEPTACOSANE; 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$NAME: HEPTACOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₅₆
CH$EXACT_MASS: 380.43820
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C27H56/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/h3-27H2,1-2H3
CH$LINK: INCHIKEY BJQWYEJQWHSSCJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6058637

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$SPLASH: splash10-0a4l-9100000000-02c358247c7c4db70fd3
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  41 20 200
  42 8.52 85
  43 69.12 691
  55 27.55 276
  56 18.8 188
  57 99.99 999
  58 5.08 51
  67 1.54 15
  68 4.14 41
  69 16.39 164
  70 13.65 137
  71 69.81 698
  72 3.56 36
  81 2.27 23
  82 3.96 40
  83 17.57 176
  84 10.64 106
  85 57.71 577
  86 3.21 32
  95 2.35 24
  97 16.16 162
  98 3.75 38
  99 15.17 152
  111 5.6 56
  112 4.23 42
  113 11.2 112
  125 2.56 26
  126 3.63 36
  127 7.16 72
  139 2.04 20
  140 3.41 34
  141 7.08 71
  154 3.4 34
  155 6.98 70
  168 2.39 24
  169 3.37 34
  182 2.62 26
  183 5.77 58
  196 1.66 17
  197 5.85 59
  207 2.84 28
  210 2.26 23
  211 2.7 27
  225 6.11 61
  239 2.58 26
  253 2.73 27
  266 1.09 11
  267 1.42 14
  280 1.09 11
  294 1.35 14
  295 1.54 15
  309 1.68 17
  323 1.38 14
  380 4.63 46
//